smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000014322082 1073046392 /nfs/dbraw/zinc/04/63/92/1073046392.db2.gz ICCYVZULKGDHCE-UHFFFAOYSA-N 1 2 444.521 0.106 20 0 ICADLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000015523700 1073246494 /nfs/dbraw/zinc/24/64/94/1073246494.db2.gz HDFNWMFCJVXOAS-UHFFFAOYSA-N 1 2 448.549 0.974 20 0 ICADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000021391075 1072357829 /nfs/dbraw/zinc/35/78/29/1072357829.db2.gz CSRIYEWPNXCISX-QGZVFWFLSA-N 1 2 437.566 0.235 20 0 ICADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000021391079 1072358067 /nfs/dbraw/zinc/35/80/67/1072358067.db2.gz CSRIYEWPNXCISX-KRWDZBQOSA-N 1 2 437.566 0.235 20 0 ICADLO CCCCN(C(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000022014117 1072561353 /nfs/dbraw/zinc/56/13/53/1072561353.db2.gz KCEFHVOEAGRNMD-HNNXBMFYSA-N 1 2 436.557 0.461 20 0 ICADLO CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000022014117 1072561338 /nfs/dbraw/zinc/56/13/38/1072561338.db2.gz KCEFHVOEAGRNMD-HNNXBMFYSA-N 1 2 436.557 0.461 20 0 ICADLO CCCCn1c(N)c(N(C(=O)C[N@H+]2CCC[C@H]2C(=O)N(C)C)C2CCCC2)c(=O)[nH]c1=O ZINC000022014604 1072561548 /nfs/dbraw/zinc/56/15/48/1072561548.db2.gz UPWVZBWAOVRERF-INIZCTEOSA-N 1 2 448.568 0.747 20 0 ICADLO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCC[C@H]2C(=O)N(C)C)C2CCCC2)c(=O)[nH]c1=O ZINC000022014604 1072561536 /nfs/dbraw/zinc/56/15/36/1072561536.db2.gz UPWVZBWAOVRERF-INIZCTEOSA-N 1 2 448.568 0.747 20 0 ICADLO O=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022548239 1072370674 /nfs/dbraw/zinc/37/06/74/1072370674.db2.gz USBJYDFTSMVTRB-UHFFFAOYSA-N 1 2 431.537 0.527 20 0 ICADLO O=C(CN1CCN(C(=O)N2CCOCC2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000022548241 1072370487 /nfs/dbraw/zinc/37/04/87/1072370487.db2.gz NSMQKJOKKBUNAL-UHFFFAOYSA-N 1 2 445.564 0.205 20 0 ICADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)N3CCOCC3)CC2)c(OC)c1 ZINC000022548488 1072468705 /nfs/dbraw/zinc/46/87/05/1072468705.db2.gz PPNLBRNJUKMHOX-KRWDZBQOSA-N 1 2 437.493 0.291 20 0 ICADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)N3CCOCC3)CC2)c(OC)c1 ZINC000022548490 1072468598 /nfs/dbraw/zinc/46/85/98/1072468598.db2.gz PPNLBRNJUKMHOX-QGZVFWFLSA-N 1 2 437.493 0.291 20 0 ICADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC(=O)N1CCC(C(N)=O)CC1 ZINC000032773577 1072994767 /nfs/dbraw/zinc/99/47/67/1072994767.db2.gz TXZMMKOERCUCSS-KRWDZBQOSA-N 1 2 433.505 0.890 20 0 ICADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC(=O)N1CCC(C(N)=O)CC1 ZINC000032773577 1072994762 /nfs/dbraw/zinc/99/47/62/1072994762.db2.gz TXZMMKOERCUCSS-KRWDZBQOSA-N 1 2 433.505 0.890 20 0 ICADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC(=O)N1CCC(C(N)=O)CC1 ZINC000032773578 1072994897 /nfs/dbraw/zinc/99/48/97/1072994897.db2.gz TXZMMKOERCUCSS-QGZVFWFLSA-N 1 2 433.505 0.890 20 0 ICADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC(=O)N1CCC(C(N)=O)CC1 ZINC000032773578 1072994895 /nfs/dbraw/zinc/99/48/95/1072994895.db2.gz TXZMMKOERCUCSS-QGZVFWFLSA-N 1 2 433.505 0.890 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc(N4CCOCC4)n3)CC2)C1=O ZINC001164632660 719271210 /nfs/dbraw/zinc/27/12/10/719271210.db2.gz AQBDIYAGGWNKLY-UHFFFAOYSA-N 1 2 439.948 0.121 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc(N4CCOCC4)n3)CC2)C1=O ZINC001164632660 719271200 /nfs/dbraw/zinc/27/12/00/719271200.db2.gz AQBDIYAGGWNKLY-UHFFFAOYSA-N 1 2 439.948 0.121 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(S(N)(=O)=O)cc3Cl)CC2)C1=O ZINC001164632678 719272319 /nfs/dbraw/zinc/27/23/19/719272319.db2.gz ASXWGFVLJBEZJL-UHFFFAOYSA-N 1 2 431.946 0.142 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(S(N)(=O)=O)cc3Cl)CC2)C1=O ZINC001164632678 719272316 /nfs/dbraw/zinc/27/23/16/719272316.db2.gz ASXWGFVLJBEZJL-UHFFFAOYSA-N 1 2 431.946 0.142 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2)C1=O ZINC001164634646 719268818 /nfs/dbraw/zinc/26/88/18/719268818.db2.gz KVJIWWYBLLVQTP-UHFFFAOYSA-N 1 2 431.537 0.313 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2)C1=O ZINC001164634646 719268814 /nfs/dbraw/zinc/26/88/14/719268814.db2.gz KVJIWWYBLLVQTP-UHFFFAOYSA-N 1 2 431.537 0.313 20 0 ICADLO CCOC(=O)c1nnc(SC)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164634701 719271650 /nfs/dbraw/zinc/27/16/50/719271650.db2.gz LXJYSEKCAXGTPJ-UHFFFAOYSA-N 1 2 438.554 0.530 20 0 ICADLO CCOC(=O)c1nnc(SC)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164634701 719271649 /nfs/dbraw/zinc/27/16/49/719271649.db2.gz LXJYSEKCAXGTPJ-UHFFFAOYSA-N 1 2 438.554 0.530 20 0 ICADLO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164634756 719273092 /nfs/dbraw/zinc/27/30/92/719273092.db2.gz OEJBKYHAVJMVJD-UHFFFAOYSA-N 1 2 439.944 0.995 20 0 ICADLO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164634756 719273088 /nfs/dbraw/zinc/27/30/88/719273088.db2.gz OEJBKYHAVJMVJD-UHFFFAOYSA-N 1 2 439.944 0.995 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(N4CCOCC4)nc4c3CCN4)CC2)C1=O ZINC001164635382 719272007 /nfs/dbraw/zinc/27/20/07/719272007.db2.gz PQHSQZOAXMTSNT-UHFFFAOYSA-N 1 2 445.568 0.041 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(N4CCOCC4)nc4c3CCN4)CC2)C1=O ZINC001164635382 719272005 /nfs/dbraw/zinc/27/20/05/719272005.db2.gz PQHSQZOAXMTSNT-UHFFFAOYSA-N 1 2 445.568 0.041 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C(=O)OC)c(C(=O)OC)n3)CC2)C1=O ZINC001164635692 719269348 /nfs/dbraw/zinc/26/93/48/719269348.db2.gz TXQJHMXRQKGOSY-UHFFFAOYSA-N 1 2 434.493 0.414 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C(=O)OC)c(C(=O)OC)n3)CC2)C1=O ZINC001164635692 719269347 /nfs/dbraw/zinc/26/93/47/719269347.db2.gz TXQJHMXRQKGOSY-UHFFFAOYSA-N 1 2 434.493 0.414 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4c(n3)N3CCC[C@H]3C(=O)N4C)CC2)C1=O ZINC001164637952 719274795 /nfs/dbraw/zinc/27/47/95/719274795.db2.gz BLRZMRSEZYXCQJ-INIZCTEOSA-N 1 2 443.552 0.181 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4c(n3)N3CCC[C@H]3C(=O)N4C)CC2)C1=O ZINC001164637952 719274791 /nfs/dbraw/zinc/27/47/91/719274791.db2.gz BLRZMRSEZYXCQJ-INIZCTEOSA-N 1 2 443.552 0.181 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4c(n3)N3CCC[C@@H]3C(=O)N4C)CC2)C1=O ZINC001164637964 719274642 /nfs/dbraw/zinc/27/46/42/719274642.db2.gz BLRZMRSEZYXCQJ-MRXNPFEDSA-N 1 2 443.552 0.181 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4c(n3)N3CCC[C@@H]3C(=O)N4C)CC2)C1=O ZINC001164637964 719274636 /nfs/dbraw/zinc/27/46/36/719274636.db2.gz BLRZMRSEZYXCQJ-MRXNPFEDSA-N 1 2 443.552 0.181 20 0 ICADLO CCNS(=O)(=O)c1cccnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164638168 719277256 /nfs/dbraw/zinc/27/72/56/719277256.db2.gz DJFDDCHKTINWGT-UHFFFAOYSA-N 1 2 425.555 0.139 20 0 ICADLO CCNS(=O)(=O)c1cccnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164638168 719277254 /nfs/dbraw/zinc/27/72/54/719277254.db2.gz DJFDDCHKTINWGT-UHFFFAOYSA-N 1 2 425.555 0.139 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)ncc3N3CCOCC3)CC2)C1=O ZINC001164638241 719275210 /nfs/dbraw/zinc/27/52/10/719275210.db2.gz DYBWOHLHYJAAKF-UHFFFAOYSA-N 1 2 438.960 0.726 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)ncc3N3CCOCC3)CC2)C1=O ZINC001164638241 719275206 /nfs/dbraw/zinc/27/52/06/719275206.db2.gz DYBWOHLHYJAAKF-UHFFFAOYSA-N 1 2 438.960 0.726 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4cc(C(=O)OC)n(C)c4n3)CC2)C1=O ZINC001164638953 719279552 /nfs/dbraw/zinc/27/95/52/719279552.db2.gz FYARGKLCRRYXTG-UHFFFAOYSA-N 1 2 430.509 0.514 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4cc(C(=O)OC)n(C)c4n3)CC2)C1=O ZINC001164638953 719279548 /nfs/dbraw/zinc/27/95/48/719279548.db2.gz FYARGKLCRRYXTG-UHFFFAOYSA-N 1 2 430.509 0.514 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)c(F)c4c3C(=O)NC4)CC2)C1=O ZINC001164639198 719276032 /nfs/dbraw/zinc/27/60/32/719276032.db2.gz JVHBPTSLTPZJQR-UHFFFAOYSA-N 1 2 425.892 0.877 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)c(F)c4c3C(=O)NC4)CC2)C1=O ZINC001164639198 719276027 /nfs/dbraw/zinc/27/60/27/719276027.db2.gz JVHBPTSLTPZJQR-UHFFFAOYSA-N 1 2 425.892 0.877 20 0 ICADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164639929 719274961 /nfs/dbraw/zinc/27/49/61/719274961.db2.gz LXTRQMDGKSAZSG-UHFFFAOYSA-N 1 2 439.944 0.995 20 0 ICADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164639929 719274959 /nfs/dbraw/zinc/27/49/59/719274959.db2.gz LXTRQMDGKSAZSG-UHFFFAOYSA-N 1 2 439.944 0.995 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(CN4C(=O)CCC4=O)cn3)CC2)C1=O ZINC001164640892 719277606 /nfs/dbraw/zinc/27/76/06/719277606.db2.gz QLXFQZGYOYMWFW-UHFFFAOYSA-N 1 2 429.521 0.490 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(CN4C(=O)CCC4=O)cn3)CC2)C1=O ZINC001164640892 719277600 /nfs/dbraw/zinc/27/76/00/719277600.db2.gz QLXFQZGYOYMWFW-UHFFFAOYSA-N 1 2 429.521 0.490 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3c(Cl)nc(Cl)nc3C(N)=O)CC2)C1=O ZINC001164641114 719275938 /nfs/dbraw/zinc/27/59/38/719275938.db2.gz SBYJSYQBIKAKTF-UHFFFAOYSA-N 1 2 431.324 0.642 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3c(Cl)nc(Cl)nc3C(N)=O)CC2)C1=O ZINC001164641114 719275937 /nfs/dbraw/zinc/27/59/37/719275937.db2.gz SBYJSYQBIKAKTF-UHFFFAOYSA-N 1 2 431.324 0.642 20 0 ICADLO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)cc2C1 ZINC001164644092 719284818 /nfs/dbraw/zinc/28/48/18/719284818.db2.gz CHOGGMOOEVQGRF-KRWDZBQOSA-N 1 2 445.564 0.904 20 0 ICADLO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)cc2C1 ZINC001164644092 719284817 /nfs/dbraw/zinc/28/48/17/719284817.db2.gz CHOGGMOOEVQGRF-KRWDZBQOSA-N 1 2 445.564 0.904 20 0 ICADLO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)cc2C1 ZINC001164644093 719284948 /nfs/dbraw/zinc/28/49/48/719284948.db2.gz CHOGGMOOEVQGRF-QGZVFWFLSA-N 1 2 445.564 0.904 20 0 ICADLO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)cc2C1 ZINC001164644093 719284941 /nfs/dbraw/zinc/28/49/41/719284941.db2.gz CHOGGMOOEVQGRF-QGZVFWFLSA-N 1 2 445.564 0.904 20 0 ICADLO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)cc2C1 ZINC001164644121 719280667 /nfs/dbraw/zinc/28/06/67/719280667.db2.gz DSMVKLKOEBGVKL-UHFFFAOYSA-N 1 2 446.552 0.751 20 0 ICADLO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)cc2C1 ZINC001164644121 719280660 /nfs/dbraw/zinc/28/06/60/719280660.db2.gz DSMVKLKOEBGVKL-UHFFFAOYSA-N 1 2 446.552 0.751 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(S(=O)(=O)NC(C)C)cn3)CC2)C1=O ZINC001164644279 719280791 /nfs/dbraw/zinc/28/07/91/719280791.db2.gz GRKHLJGQCYHOFL-UHFFFAOYSA-N 1 2 439.582 0.528 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(S(=O)(=O)NC(C)C)cn3)CC2)C1=O ZINC001164644279 719280789 /nfs/dbraw/zinc/28/07/89/719280789.db2.gz GRKHLJGQCYHOFL-UHFFFAOYSA-N 1 2 439.582 0.528 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C(=O)NC4CCCC4)nn3)CC2)C1=O ZINC001164644462 719282548 /nfs/dbraw/zinc/28/25/48/719282548.db2.gz KMODAGLMLYMPFW-UHFFFAOYSA-N 1 2 430.553 0.908 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C(=O)NC4CCCC4)nn3)CC2)C1=O ZINC001164644462 719282544 /nfs/dbraw/zinc/28/25/44/719282544.db2.gz KMODAGLMLYMPFW-UHFFFAOYSA-N 1 2 430.553 0.908 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)ccc3S(N)(=O)=O)CC2)C1=O ZINC001164644463 719283294 /nfs/dbraw/zinc/28/32/94/719283294.db2.gz KNTBALVZJZPBST-UHFFFAOYSA-N 1 2 431.946 0.142 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)ccc3S(N)(=O)=O)CC2)C1=O ZINC001164644463 719283291 /nfs/dbraw/zinc/28/32/91/719283291.db2.gz KNTBALVZJZPBST-UHFFFAOYSA-N 1 2 431.946 0.142 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(S(=O)(=O)N(C)C)cn3)CC2)C1=O ZINC001164644531 719279823 /nfs/dbraw/zinc/27/98/23/719279823.db2.gz NIUBHLDFTGVNDO-UHFFFAOYSA-N 1 2 425.555 0.091 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(S(=O)(=O)N(C)C)cn3)CC2)C1=O ZINC001164644531 719279820 /nfs/dbraw/zinc/27/98/20/719279820.db2.gz NIUBHLDFTGVNDO-UHFFFAOYSA-N 1 2 425.555 0.091 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C(=O)NC4CCOCC4)nn3)CC2)C1=O ZINC001164644846 719282326 /nfs/dbraw/zinc/28/23/26/719282326.db2.gz UHAZPCBXLWXABM-UHFFFAOYSA-N 1 2 446.552 0.145 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C(=O)NC4CCOCC4)nn3)CC2)C1=O ZINC001164644846 719282324 /nfs/dbraw/zinc/28/23/24/719282324.db2.gz UHAZPCBXLWXABM-UHFFFAOYSA-N 1 2 446.552 0.145 20 0 ICADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(S(=O)(=O)NC4CC4)cn3)CC2)C1=O ZINC001164644964 719280559 /nfs/dbraw/zinc/28/05/59/719280559.db2.gz YBWJJTKLCLDXPU-UHFFFAOYSA-N 1 2 437.566 0.282 20 0 ICADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(S(=O)(=O)NC4CC4)cn3)CC2)C1=O ZINC001164644964 719280557 /nfs/dbraw/zinc/28/05/57/719280557.db2.gz YBWJJTKLCLDXPU-UHFFFAOYSA-N 1 2 437.566 0.282 20 0 ICADLO C[NH+](C)Cc1ccnc(N2C[C@H]3[C@@H](C2)c2nc(N4CCOCC4)ncc2CS3(=O)=O)c1 ZINC001164649159 719296457 /nfs/dbraw/zinc/29/64/57/719296457.db2.gz HCJSNQZRAFZUEU-MSOLQXFVSA-N 1 2 444.561 0.671 20 0 ICADLO C[NH+](C)Cc1ccnc(N2C[C@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC001164649161 719296449 /nfs/dbraw/zinc/29/64/49/719296449.db2.gz HCJSNQZRAFZUEU-QZTJIDSGSA-N 1 2 444.561 0.671 20 0 ICADLO C[NH+](C)Cc1ccnc(N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@H]3C2)c1 ZINC001164649164 719296869 /nfs/dbraw/zinc/29/68/69/719296869.db2.gz HCJSNQZRAFZUEU-ROUUACIJSA-N 1 2 444.561 0.671 20 0 ICADLO C[NH+](C)Cc1ccnc(N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC001164649167 719296797 /nfs/dbraw/zinc/29/67/97/719296797.db2.gz HCJSNQZRAFZUEU-ZWKOTPCHSA-N 1 2 444.561 0.671 20 0 ICADLO CN(C[C@H](O)CO)c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164667511 719365695 /nfs/dbraw/zinc/36/56/95/719365695.db2.gz JOXMPXNHXLTEHQ-HNNXBMFYSA-N 1 2 436.582 0.065 20 0 ICADLO CN(C[C@@H](O)CO)c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164667512 719365803 /nfs/dbraw/zinc/36/58/03/719365803.db2.gz JOXMPXNHXLTEHQ-OAHLLOKOSA-N 1 2 436.582 0.065 20 0 ICADLO O=C1NCCc2[nH]c(-c3cc[nH+]c(N4CCn5c(CN6CCOCC6)nnc5C4)c3)cc21 ZINC001164678852 719577051 /nfs/dbraw/zinc/57/70/51/719577051.db2.gz WQTMAVAQSGBQSV-UHFFFAOYSA-N 1 2 434.504 0.807 20 0 ICADLO COC(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1C(=O)OC ZINC001164696701 719842927 /nfs/dbraw/zinc/84/29/27/719842927.db2.gz AZYLWBKVNXSEQC-LHSJRXKWSA-N 1 2 435.477 0.888 20 0 ICADLO COC(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1C(=O)OC ZINC001164696703 719842773 /nfs/dbraw/zinc/84/27/73/719842773.db2.gz AZYLWBKVNXSEQC-QKKBWIMNSA-N 1 2 435.477 0.888 20 0 ICADLO COC(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1C(=O)OC ZINC001164696705 719842943 /nfs/dbraw/zinc/84/29/43/719842943.db2.gz AZYLWBKVNXSEQC-SPLOXXLWSA-N 1 2 435.477 0.888 20 0 ICADLO COC(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1C(=O)OC ZINC001164696707 719842734 /nfs/dbraw/zinc/84/27/34/719842734.db2.gz AZYLWBKVNXSEQC-SZNDQCEHSA-N 1 2 435.477 0.888 20 0 ICADLO CCNS(=O)(=O)c1cccnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164698781 719860681 /nfs/dbraw/zinc/86/06/81/719860681.db2.gz DSFUWGHFGXIOEF-BEFAXECRSA-N 1 2 426.539 0.613 20 0 ICADLO CCNS(=O)(=O)c1cccnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164698782 719860793 /nfs/dbraw/zinc/86/07/93/719860793.db2.gz DSFUWGHFGXIOEF-DNVCBOLYSA-N 1 2 426.539 0.613 20 0 ICADLO CCNS(=O)(=O)c1cccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164698783 719860616 /nfs/dbraw/zinc/86/06/16/719860616.db2.gz DSFUWGHFGXIOEF-HNAYVOBHSA-N 1 2 426.539 0.613 20 0 ICADLO CCNS(=O)(=O)c1cccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164698784 719860570 /nfs/dbraw/zinc/86/05/70/719860570.db2.gz DSFUWGHFGXIOEF-KXBFYZLASA-N 1 2 426.539 0.613 20 0 ICADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)N2CCOCC2)cn1 ZINC001164699343 719841290 /nfs/dbraw/zinc/84/12/90/719841290.db2.gz HMUJPMUTGYZQDM-AVRDEDQJSA-N 1 2 432.521 0.787 20 0 ICADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)N2CCOCC2)cn1 ZINC001164699344 719841335 /nfs/dbraw/zinc/84/13/35/719841335.db2.gz HMUJPMUTGYZQDM-GCJKJVERSA-N 1 2 432.521 0.787 20 0 ICADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)N2CCOCC2)cn1 ZINC001164699345 719841562 /nfs/dbraw/zinc/84/15/62/719841562.db2.gz HMUJPMUTGYZQDM-PGRDOPGGSA-N 1 2 432.521 0.787 20 0 ICADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)N2CCOCC2)cn1 ZINC001164699346 719841434 /nfs/dbraw/zinc/84/14/34/719841434.db2.gz HMUJPMUTGYZQDM-XMSQKQJNSA-N 1 2 432.521 0.787 20 0 ICADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(CN2C(=O)CCC2=O)cn1 ZINC001164700164 719861537 /nfs/dbraw/zinc/86/15/37/719861537.db2.gz HAEPVDFFIIQONS-HTAPYJJXSA-N 1 2 430.505 0.963 20 0 ICADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(CN2C(=O)CCC2=O)cn1 ZINC001164700165 719861670 /nfs/dbraw/zinc/86/16/70/719861670.db2.gz HAEPVDFFIIQONS-JTSKRJEESA-N 1 2 430.505 0.963 20 0 ICADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(CN2C(=O)CCC2=O)cn1 ZINC001164700167 719861652 /nfs/dbraw/zinc/86/16/52/719861652.db2.gz HAEPVDFFIIQONS-VGOFRKELSA-N 1 2 430.505 0.963 20 0 ICADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(CN2C(=O)CCC2=O)cn1 ZINC001164700169 719861449 /nfs/dbraw/zinc/86/14/49/719861449.db2.gz HAEPVDFFIIQONS-VGSWGCGISA-N 1 2 430.505 0.963 20 0 ICADLO CCOC(=O)c1cnc(Cl)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164701684 719930181 /nfs/dbraw/zinc/93/01/81/719930181.db2.gz AGFJMMATQMTNFP-UHFFFAOYSA-N 1 2 447.927 0.991 20 0 ICADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(CN3CCOCC3)cn1)CC2 ZINC001164701836 719932782 /nfs/dbraw/zinc/93/27/82/719932782.db2.gz CXASUKDPTLSVPW-UHFFFAOYSA-N 1 2 439.564 0.598 20 0 ICADLO CCOC(=O)c1cnc(C)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164702429 720048480 /nfs/dbraw/zinc/04/84/80/720048480.db2.gz GCCOXLRHOBEVDX-UHFFFAOYSA-N 1 2 427.509 0.646 20 0 ICADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(N2CCOCC2)nc2c1CCN2 ZINC001164702613 719848077 /nfs/dbraw/zinc/84/80/77/719848077.db2.gz OFOLPKJFCSVACO-AOMKIAJQSA-N 1 2 446.552 0.514 20 0 ICADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(N2CCOCC2)nc2c1CCN2 ZINC001164702615 719848251 /nfs/dbraw/zinc/84/82/51/719848251.db2.gz OFOLPKJFCSVACO-KSFYIVLOSA-N 1 2 446.552 0.514 20 0 ICADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(N2CCOCC2)nc2c1CCN2 ZINC001164702617 719848053 /nfs/dbraw/zinc/84/80/53/719848053.db2.gz OFOLPKJFCSVACO-OPAMFIHVSA-N 1 2 446.552 0.514 20 0 ICADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(N2CCOCC2)nc2c1CCN2 ZINC001164702619 719848070 /nfs/dbraw/zinc/84/80/70/719848070.db2.gz OFOLPKJFCSVACO-ZHRRBRCNSA-N 1 2 446.552 0.514 20 0 ICADLO COC(=O)c1cc(OC)cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164702907 720048289 /nfs/dbraw/zinc/04/82/89/720048289.db2.gz HPSISWPVQNXVIJ-UHFFFAOYSA-N 1 2 428.493 0.561 20 0 ICADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCC[C@@H]2C(N)=O)ncn1 ZINC001164703111 719874648 /nfs/dbraw/zinc/87/46/48/719874648.db2.gz JWMJBGBIKNDTAV-MRUHUIDDSA-N 1 2 432.525 0.163 20 0 ICADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCC[C@H]2C(N)=O)ncn1 ZINC001164703117 719874445 /nfs/dbraw/zinc/87/44/45/719874445.db2.gz JWMJBGBIKNDTAV-QYWGDWMGSA-N 1 2 432.525 0.163 20 0 ICADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCC[C@H]2C(N)=O)ncn1 ZINC001164703120 719874554 /nfs/dbraw/zinc/87/45/54/719874554.db2.gz JWMJBGBIKNDTAV-XFQAVAEZSA-N 1 2 432.525 0.163 20 0 ICADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCC[C@@H]2C(N)=O)ncn1 ZINC001164703123 719874654 /nfs/dbraw/zinc/87/46/54/719874654.db2.gz JWMJBGBIKNDTAV-ZOCZFRKYSA-N 1 2 432.525 0.163 20 0 ICADLO CCOC(=O)c1cc(C)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164703629 720048153 /nfs/dbraw/zinc/04/81/53/720048153.db2.gz LEIOREFQHVHFIA-UHFFFAOYSA-N 1 2 427.509 0.646 20 0 ICADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)N1CCC[C@@H]1C(=O)N2C ZINC001164703716 719855943 /nfs/dbraw/zinc/85/59/43/719855943.db2.gz QKCRNXVFTANOAE-DMPWYTOCSA-N 1 2 444.536 0.655 20 0 ICADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)N1CCC[C@@H]1C(=O)N2C ZINC001164703719 719856009 /nfs/dbraw/zinc/85/60/09/719856009.db2.gz QKCRNXVFTANOAE-MCFFVMPBSA-N 1 2 444.536 0.655 20 0 ICADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)N1CCC[C@H]1C(=O)N2C ZINC001164703727 719855835 /nfs/dbraw/zinc/85/58/35/719855835.db2.gz QKCRNXVFTANOAE-VVBPWWLESA-N 1 2 444.536 0.655 20 0 ICADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)N1CCC[C@H]1C(=O)N2C ZINC001164703732 719856041 /nfs/dbraw/zinc/85/60/41/719856041.db2.gz QKCRNXVFTANOAE-WCJKSRRJSA-N 1 2 444.536 0.655 20 0 ICADLO CC(C)OC(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nn1 ZINC001164703826 719939334 /nfs/dbraw/zinc/93/93/34/719939334.db2.gz NFEJWRDBFRTAOC-UHFFFAOYSA-N 1 2 427.509 0.726 20 0 ICADLO Cc1nc2nc(Cl)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2[nH]1 ZINC001164703834 720048517 /nfs/dbraw/zinc/04/85/17/720048517.db2.gz NLTZPDOOCGJJBQ-UHFFFAOYSA-N 1 2 429.916 0.999 20 0 ICADLO CCOC(=O)Cc1cccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164704210 719939346 /nfs/dbraw/zinc/93/93/46/719939346.db2.gz PTDUVPMWAJIIIZ-UHFFFAOYSA-N 1 2 426.521 0.871 20 0 ICADLO COC(=O)c1cnc(Cl)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164704233 719933778 /nfs/dbraw/zinc/93/37/78/719933778.db2.gz QJMKTFRJBQIQDF-UHFFFAOYSA-N 1 2 433.900 0.600 20 0 ICADLO COC(=O)c1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164704785 719932533 /nfs/dbraw/zinc/93/25/33/719932533.db2.gz RSFHGDVPQRBZMB-UHFFFAOYSA-N 1 2 433.900 0.600 20 0 ICADLO COC(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1OC ZINC001164704823 719936941 /nfs/dbraw/zinc/93/69/41/719936941.db2.gz SXVKLXVDLWKVHC-UHFFFAOYSA-N 1 2 428.493 0.561 20 0 ICADLO COc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1NC(C)C ZINC001164704840 719927295 /nfs/dbraw/zinc/92/72/95/719927295.db2.gz UIFIMGFWPAOPAC-UHFFFAOYSA-N 1 2 428.541 0.989 20 0 ICADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ccc1S(N)(=O)=O ZINC001164704989 719874436 /nfs/dbraw/zinc/87/44/36/719874436.db2.gz MQFNJBZWXPFCRB-PXAZEXFGSA-N 1 2 432.930 0.615 20 0 ICADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ccc1S(N)(=O)=O ZINC001164704990 719874465 /nfs/dbraw/zinc/87/44/65/719874465.db2.gz MQFNJBZWXPFCRB-SJCJKPOMSA-N 1 2 432.930 0.615 20 0 ICADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ccc1S(N)(=O)=O ZINC001164704991 719874617 /nfs/dbraw/zinc/87/46/17/719874617.db2.gz MQFNJBZWXPFCRB-SJKOYZFVSA-N 1 2 432.930 0.615 20 0 ICADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ccc1S(N)(=O)=O ZINC001164704992 719874484 /nfs/dbraw/zinc/87/44/84/719874484.db2.gz MQFNJBZWXPFCRB-YVEFUNNKSA-N 1 2 432.930 0.615 20 0 ICADLO CCNS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164705013 719868210 /nfs/dbraw/zinc/86/82/10/719868210.db2.gz MZGGFBXAXGYMPE-BEFAXECRSA-N 1 2 426.539 0.613 20 0 ICADLO CCNS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164705014 719868177 /nfs/dbraw/zinc/86/81/77/719868177.db2.gz MZGGFBXAXGYMPE-DNVCBOLYSA-N 1 2 426.539 0.613 20 0 ICADLO CCNS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164705015 719868384 /nfs/dbraw/zinc/86/83/84/719868384.db2.gz MZGGFBXAXGYMPE-HNAYVOBHSA-N 1 2 426.539 0.613 20 0 ICADLO CCNS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164705016 719868484 /nfs/dbraw/zinc/86/84/84/719868484.db2.gz MZGGFBXAXGYMPE-KXBFYZLASA-N 1 2 426.539 0.613 20 0 ICADLO COC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1OC ZINC001164705173 719936244 /nfs/dbraw/zinc/93/62/44/719936244.db2.gz VRDMIWGHISSGGT-UHFFFAOYSA-N 1 2 428.493 0.561 20 0 ICADLO CCOC(=O)c1cc(Cl)nnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164705290 720048057 /nfs/dbraw/zinc/04/80/57/720048057.db2.gz XRTHTTJXKKKZDF-UHFFFAOYSA-N 1 2 447.927 0.991 20 0 ICADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)c(F)cc1C(N)=O)CC2 ZINC001164705451 720047112 /nfs/dbraw/zinc/04/71/12/720047112.db2.gz YRZWTEYPQDUMFR-UHFFFAOYSA-N 1 2 435.891 0.657 20 0 ICADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(N2CCOCC2)n1 ZINC001164705823 719845885 /nfs/dbraw/zinc/84/58/85/719845885.db2.gz VXPRDBAJEQQHGS-AUUYWEPGSA-N 1 2 440.932 0.594 20 0 ICADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(N2CCOCC2)n1 ZINC001164705824 719845971 /nfs/dbraw/zinc/84/59/71/719845971.db2.gz VXPRDBAJEQQHGS-IFXJQAMLSA-N 1 2 440.932 0.594 20 0 ICADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(N2CCOCC2)n1 ZINC001164705825 719845719 /nfs/dbraw/zinc/84/57/19/719845719.db2.gz VXPRDBAJEQQHGS-KUHUBIRLSA-N 1 2 440.932 0.594 20 0 ICADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(N2CCOCC2)n1 ZINC001164705826 719845585 /nfs/dbraw/zinc/84/55/85/719845585.db2.gz VXPRDBAJEQQHGS-LIRRHRJNSA-N 1 2 440.932 0.594 20 0 ICADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(S(N)(=O)=O)cc1Cl ZINC001164705981 719850792 /nfs/dbraw/zinc/85/07/92/719850792.db2.gz VTUQSRGBDJIGTJ-PXAZEXFGSA-N 1 2 432.930 0.615 20 0 ICADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(S(N)(=O)=O)cc1Cl ZINC001164705982 719850706 /nfs/dbraw/zinc/85/07/06/719850706.db2.gz VTUQSRGBDJIGTJ-SJCJKPOMSA-N 1 2 432.930 0.615 20 0 ICADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(S(N)(=O)=O)cc1Cl ZINC001164705983 719850908 /nfs/dbraw/zinc/85/09/08/719850908.db2.gz VTUQSRGBDJIGTJ-SJKOYZFVSA-N 1 2 432.930 0.615 20 0 ICADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(S(N)(=O)=O)cc1Cl ZINC001164705984 719850893 /nfs/dbraw/zinc/85/08/93/719850893.db2.gz VTUQSRGBDJIGTJ-YVEFUNNKSA-N 1 2 432.930 0.615 20 0 ICADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CCOCC2)nn1 ZINC001164707201 719873303 /nfs/dbraw/zinc/87/33/03/719873303.db2.gz RCRQUERGPBTWKG-HTAPYJJXSA-N 1 2 447.536 0.618 20 0 ICADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CCOCC2)nn1 ZINC001164707202 719873201 /nfs/dbraw/zinc/87/32/01/719873201.db2.gz RCRQUERGPBTWKG-JTSKRJEESA-N 1 2 447.536 0.618 20 0 ICADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CCOCC2)nn1 ZINC001164707203 719873511 /nfs/dbraw/zinc/87/35/11/719873511.db2.gz RCRQUERGPBTWKG-VGOFRKELSA-N 1 2 447.536 0.618 20 0 ICADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CCOCC2)nn1 ZINC001164707204 719873429 /nfs/dbraw/zinc/87/34/29/719873429.db2.gz RCRQUERGPBTWKG-VGSWGCGISA-N 1 2 447.536 0.618 20 0 ICADLO COC(=O)c1cc2cnc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nc2n1C ZINC001164707843 719866224 /nfs/dbraw/zinc/86/62/24/719866224.db2.gz WAYRXJMYVDLAIG-BTYIYWSLSA-N 1 2 431.493 0.988 20 0 ICADLO COC(=O)c1cc2cnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nc2n1C ZINC001164707844 719866169 /nfs/dbraw/zinc/86/61/69/719866169.db2.gz WAYRXJMYVDLAIG-QVKFZJNVSA-N 1 2 431.493 0.988 20 0 ICADLO COC(=O)c1cc2cnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nc2n1C ZINC001164707845 719866019 /nfs/dbraw/zinc/86/60/19/719866019.db2.gz WAYRXJMYVDLAIG-VFNWGFHPSA-N 1 2 431.493 0.988 20 0 ICADLO COC(=O)c1cc2cnc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nc2n1C ZINC001164707846 719865916 /nfs/dbraw/zinc/86/59/16/719865916.db2.gz WAYRXJMYVDLAIG-YCRPNKLZSA-N 1 2 431.493 0.988 20 0 ICADLO CN(C)S(=O)(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708141 719922462 /nfs/dbraw/zinc/92/24/62/719922462.db2.gz FDVGHKNOTWVWFB-UHFFFAOYSA-N 1 2 447.565 0.016 20 0 ICADLO CCOC(=O)c1ncnc(Cl)c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708286 719920323 /nfs/dbraw/zinc/92/03/23/719920323.db2.gz HLSUSKIFUGWDMP-UHFFFAOYSA-N 1 2 447.927 0.991 20 0 ICADLO CCCNC(=O)c1cccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708293 719923411 /nfs/dbraw/zinc/92/34/11/719923411.db2.gz HQSBBSHFABQJJM-UHFFFAOYSA-N 1 2 425.537 0.905 20 0 ICADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)CC2 ZINC001164708361 719911400 /nfs/dbraw/zinc/91/14/00/719911400.db2.gz ANXOGPFBWXFEIY-UHFFFAOYSA-N 1 2 429.912 0.913 20 0 ICADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc3ncnc(Cl)c3n1)CC2 ZINC001164708362 719915564 /nfs/dbraw/zinc/91/55/64/719915564.db2.gz AOHCEVJUHWGAKX-UHFFFAOYSA-N 1 2 427.900 0.757 20 0 ICADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)c(F)c3c1C(=O)NC3)CC2 ZINC001164708398 719911762 /nfs/dbraw/zinc/91/17/62/719911762.db2.gz CJUPXXPUPCIPAV-UHFFFAOYSA-N 1 2 447.902 0.801 20 0 ICADLO CCOC(=O)c1nnc(Cl)cc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708406 719905008 /nfs/dbraw/zinc/90/50/08/719905008.db2.gz COPNMXOPCPFSLX-UHFFFAOYSA-N 1 2 447.927 0.991 20 0 ICADLO COC(=O)c1nc(Cl)cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708466 719910594 /nfs/dbraw/zinc/91/05/94/719910594.db2.gz DSBMFVJHICOUQU-UHFFFAOYSA-N 1 2 433.900 0.600 20 0 ICADLO CCOC(=O)c1c(C)ncnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708472 719908714 /nfs/dbraw/zinc/90/87/14/719908714.db2.gz DVPTVJSSMSJFCE-UHFFFAOYSA-N 1 2 427.509 0.646 20 0 ICADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)NC2CC2)cn1 ZINC001164708478 719869298 /nfs/dbraw/zinc/86/92/98/719869298.db2.gz ZLFKWXNTVREBJL-JXFKEZNVSA-N 1 2 438.550 0.755 20 0 ICADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)NC2CC2)cn1 ZINC001164708479 719869463 /nfs/dbraw/zinc/86/94/63/719869463.db2.gz ZLFKWXNTVREBJL-OXJNMPFZSA-N 1 2 438.550 0.755 20 0 ICADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)NC2CC2)cn1 ZINC001164708481 719869172 /nfs/dbraw/zinc/86/91/72/719869172.db2.gz ZLFKWXNTVREBJL-OXQOHEQNSA-N 1 2 438.550 0.755 20 0 ICADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(=O)(=O)NC2CC2)cn1 ZINC001164708483 719869494 /nfs/dbraw/zinc/86/94/94/719869494.db2.gz ZLFKWXNTVREBJL-UZLBHIALSA-N 1 2 438.550 0.755 20 0 ICADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c1CN(C)CC3)CC2 ZINC001164708508 719936021 /nfs/dbraw/zinc/93/60/21/719936021.db2.gz KAZSDRJNIVLOBY-UHFFFAOYSA-N 1 2 444.971 0.802 20 0 ICADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164708595 719928585 /nfs/dbraw/zinc/92/85/85/719928585.db2.gz MGRRTBGVFQWXAF-UHFFFAOYSA-N 1 2 434.504 0.311 20 0 ICADLO CON(C)C(=O)c1cc(C)cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708598 719916838 /nfs/dbraw/zinc/91/68/38/719916838.db2.gz MINUGQAKCPSDTI-UHFFFAOYSA-N 1 2 441.536 0.707 20 0 ICADLO CCNS(=O)(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708616 719923120 /nfs/dbraw/zinc/92/31/20/719923120.db2.gz NFSULDPDACEBEC-UHFFFAOYSA-N 1 2 447.565 0.064 20 0 ICADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nnc(Cl)c3c1N(C)CCO3)CC2 ZINC001164708622 719920345 /nfs/dbraw/zinc/92/03/45/719920345.db2.gz NJHZJYRNPAJWJI-UHFFFAOYSA-N 1 2 446.943 0.642 20 0 ICADLO COC(=O)CSc1cncc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708632 719927250 /nfs/dbraw/zinc/92/72/50/719927250.db2.gz NTWFYHOGYAERLL-UHFFFAOYSA-N 1 2 445.549 0.426 20 0 ICADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164708636 719925490 /nfs/dbraw/zinc/92/54/90/719925490.db2.gz NWQZYSFFWSCKGZ-UHFFFAOYSA-N 1 2 447.543 0.975 20 0 ICADLO COC(=O)c1c[nH]c2nc[nH+]c(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)c12 ZINC001164708695 719912751 /nfs/dbraw/zinc/91/27/51/719912751.db2.gz HKFOHEPZVBNOLH-UHFFFAOYSA-N 1 2 438.492 0.428 20 0 ICADLO CCOC(=O)Cc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708720 719912697 /nfs/dbraw/zinc/91/26/97/719912697.db2.gz ITWWMARXNSVGRB-UHFFFAOYSA-N 1 2 427.509 0.266 20 0 ICADLO Cn1cnc2c1nc(Cl)nc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708734 719902681 /nfs/dbraw/zinc/90/26/81/719902681.db2.gz JLDASVCNHIKGFH-UHFFFAOYSA-N 1 2 429.916 0.701 20 0 ICADLO CCOC(=O)Cc1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nn1 ZINC001164708736 719917706 /nfs/dbraw/zinc/91/77/06/719917706.db2.gz JQSHMPSGZRYGBE-UHFFFAOYSA-N 1 2 427.509 0.266 20 0 ICADLO CCOC(=O)c1cnc(OC)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708738 719905532 /nfs/dbraw/zinc/90/55/32/719905532.db2.gz JRXXJVZIPSPRQK-UHFFFAOYSA-N 1 2 443.508 0.346 20 0 ICADLO COCCOC(=O)c1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164708764 719934048 /nfs/dbraw/zinc/93/40/48/719934048.db2.gz PDOMDKUTVHFMBJ-UHFFFAOYSA-N 1 2 442.520 0.569 20 0 ICADLO COC(OC)c1c(CO)ccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708843 719917927 /nfs/dbraw/zinc/91/79/27/719917927.db2.gz UMMIZMXDRIQDTN-UHFFFAOYSA-N 1 2 444.536 0.549 20 0 ICADLO CCOC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1C ZINC001164708852 719904459 /nfs/dbraw/zinc/90/44/59/719904459.db2.gz KHAPXFCKKOEHRC-UHFFFAOYSA-N 1 2 427.509 0.646 20 0 ICADLO CON(C)C(=O)c1cccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708939 719917968 /nfs/dbraw/zinc/91/79/68/719917968.db2.gz VGDQNYQYOUHNPP-UHFFFAOYSA-N 1 2 427.509 0.399 20 0 ICADLO CCOC(=O)c1cnc(CC)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708940 719933747 /nfs/dbraw/zinc/93/37/47/719933747.db2.gz VHFJORLADJVQAL-UHFFFAOYSA-N 1 2 441.536 0.900 20 0 ICADLO COC(=O)c1cc(F)c(C)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708962 719910105 /nfs/dbraw/zinc/91/01/05/719910105.db2.gz OEWNSGBTXGCTHK-UHFFFAOYSA-N 1 2 430.484 1.000 20 0 ICADLO CCOC(=O)c1ncnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1C ZINC001164709002 719912085 /nfs/dbraw/zinc/91/20/85/719912085.db2.gz OYIPUNJFAVYEDE-UHFFFAOYSA-N 1 2 427.509 0.646 20 0 ICADLO CCCNC(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164709137 719924628 /nfs/dbraw/zinc/92/46/28/719924628.db2.gz ZEZAGKHTNJAVGT-UHFFFAOYSA-N 1 2 425.537 0.905 20 0 ICADLO CON(C)C(=O)c1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164709156 719931943 /nfs/dbraw/zinc/93/19/43/719931943.db2.gz ZTOIDHJOFGQKKF-UHFFFAOYSA-N 1 2 427.509 0.399 20 0 ICADLO CCOc1ccc(C(=O)OC)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709202 719913363 /nfs/dbraw/zinc/91/33/63/719913363.db2.gz QLUKXBKVZPZDLH-UHFFFAOYSA-N 1 2 442.520 0.951 20 0 ICADLO CCOC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(OC)c1 ZINC001164709249 719915185 /nfs/dbraw/zinc/91/51/85/719915185.db2.gz RKFRNRFYJJZVIP-UHFFFAOYSA-N 1 2 442.520 0.951 20 0 ICADLO CC(C)c1nc(N(C)C)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709267 719912835 /nfs/dbraw/zinc/91/28/35/719912835.db2.gz SDMMRLUTNGTGSN-UHFFFAOYSA-N 1 2 427.557 0.745 20 0 ICADLO CNC(=O)c1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ccc1Cl ZINC001164709339 719913312 /nfs/dbraw/zinc/91/33/12/719913312.db2.gz SWFDEIMBSONYHL-UHFFFAOYSA-N 1 2 431.928 0.778 20 0 ICADLO CCOC(=O)Cc1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164709515 719909197 /nfs/dbraw/zinc/90/91/97/719909197.db2.gz XQNJLNFTNQZEMZ-UHFFFAOYSA-N 1 2 426.521 0.871 20 0 ICADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cc3c1CNC3=O)CC2 ZINC001164709524 719915100 /nfs/dbraw/zinc/91/51/00/719915100.db2.gz XXJBFIPNZAIGSO-UHFFFAOYSA-N 1 2 429.912 0.662 20 0 ICADLO COC(=O)Cc1c(Cl)ncnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709596 719903111 /nfs/dbraw/zinc/90/31/11/719903111.db2.gz YWLFRCQXOPVBMP-UHFFFAOYSA-N 1 2 447.927 0.529 20 0 ICADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3c1NC(=O)CS3)CC2 ZINC001164710633 719937382 /nfs/dbraw/zinc/93/73/82/719937382.db2.gz FWCHXIYAMYVVJN-UHFFFAOYSA-N 1 2 428.522 0.205 20 0 ICADLO CNC(=O)c1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164710654 719938200 /nfs/dbraw/zinc/93/82/00/719938200.db2.gz FZQNDMCBQQOTRG-UHFFFAOYSA-N 1 2 432.916 0.173 20 0 ICADLO CCNC(=O)c1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164711482 720049177 /nfs/dbraw/zinc/04/91/77/720049177.db2.gz HWDKHBBDDYXWPW-UHFFFAOYSA-N 1 2 446.943 0.564 20 0 ICADLO CCS(=O)(=O)c1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164714614 720049603 /nfs/dbraw/zinc/04/96/03/720049603.db2.gz QLJSFRBYBXWLPR-UHFFFAOYSA-N 1 2 432.550 0.559 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(N4CCOCC4)n3)C2)C1 ZINC001164716886 720228349 /nfs/dbraw/zinc/22/83/49/720228349.db2.gz GFXTXKVLCUWWKO-IBGZPJMESA-N 1 2 439.948 0.026 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(N4CCOCC4)n3)C2)C1 ZINC001164716886 720228339 /nfs/dbraw/zinc/22/83/39/720228339.db2.gz GFXTXKVLCUWWKO-IBGZPJMESA-N 1 2 439.948 0.026 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(N4CCOCC4)n3)C2)C1 ZINC001164716887 720226736 /nfs/dbraw/zinc/22/67/36/720226736.db2.gz GFXTXKVLCUWWKO-LJQANCHMSA-N 1 2 439.948 0.026 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(N4CCOCC4)n3)C2)C1 ZINC001164716887 720226730 /nfs/dbraw/zinc/22/67/30/720226730.db2.gz GFXTXKVLCUWWKO-LJQANCHMSA-N 1 2 439.948 0.026 20 0 ICADLO CCOC(=O)Cc1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164717932 719937147 /nfs/dbraw/zinc/93/71/47/719937147.db2.gz ZIRSBDFQOIXUDG-UHFFFAOYSA-N 1 2 426.521 0.871 20 0 ICADLO CCOC(=O)c1nnc(Cl)cc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164718706 720242547 /nfs/dbraw/zinc/24/25/47/720242547.db2.gz HGLRYSWIXIOVAG-IBGZPJMESA-N 1 2 425.917 0.972 20 0 ICADLO CCOC(=O)c1nnc(Cl)cc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164718706 720242540 /nfs/dbraw/zinc/24/25/40/720242540.db2.gz HGLRYSWIXIOVAG-IBGZPJMESA-N 1 2 425.917 0.972 20 0 ICADLO CCOC(=O)c1nnc(Cl)cc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164718707 720241244 /nfs/dbraw/zinc/24/12/44/720241244.db2.gz HGLRYSWIXIOVAG-LJQANCHMSA-N 1 2 425.917 0.972 20 0 ICADLO CCOC(=O)c1nnc(Cl)cc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164718707 720241236 /nfs/dbraw/zinc/24/12/36/720241236.db2.gz HGLRYSWIXIOVAG-LJQANCHMSA-N 1 2 425.917 0.972 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4c(n3)N3CCC[C@H]3C(=O)N4C)C2)C1 ZINC001164718950 720253063 /nfs/dbraw/zinc/25/30/63/720253063.db2.gz ISWNWLHMLWRUHA-AOMKIAJQSA-N 1 2 443.552 0.087 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4c(n3)N3CCC[C@H]3C(=O)N4C)C2)C1 ZINC001164718950 720253056 /nfs/dbraw/zinc/25/30/56/720253056.db2.gz ISWNWLHMLWRUHA-AOMKIAJQSA-N 1 2 443.552 0.087 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)N3CCC[C@H]3C(=O)N4C)C2)C1 ZINC001164718951 720253655 /nfs/dbraw/zinc/25/36/55/720253655.db2.gz ISWNWLHMLWRUHA-KSFYIVLOSA-N 1 2 443.552 0.087 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)N3CCC[C@H]3C(=O)N4C)C2)C1 ZINC001164718951 720253646 /nfs/dbraw/zinc/25/36/46/720253646.db2.gz ISWNWLHMLWRUHA-KSFYIVLOSA-N 1 2 443.552 0.087 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)N3CCC[C@@H]3C(=O)N4C)C2)C1 ZINC001164718952 720254161 /nfs/dbraw/zinc/25/41/61/720254161.db2.gz ISWNWLHMLWRUHA-OPAMFIHVSA-N 1 2 443.552 0.087 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)N3CCC[C@@H]3C(=O)N4C)C2)C1 ZINC001164718952 720254158 /nfs/dbraw/zinc/25/41/58/720254158.db2.gz ISWNWLHMLWRUHA-OPAMFIHVSA-N 1 2 443.552 0.087 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4c(n3)N3CCC[C@@H]3C(=O)N4C)C2)C1 ZINC001164718953 720253546 /nfs/dbraw/zinc/25/35/46/720253546.db2.gz ISWNWLHMLWRUHA-ZHRRBRCNSA-N 1 2 443.552 0.087 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4c(n3)N3CCC[C@@H]3C(=O)N4C)C2)C1 ZINC001164718953 720253539 /nfs/dbraw/zinc/25/35/39/720253539.db2.gz ISWNWLHMLWRUHA-ZHRRBRCNSA-N 1 2 443.552 0.087 20 0 ICADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164718976 720252936 /nfs/dbraw/zinc/25/29/36/720252936.db2.gz JQLBCGOLDWBQLL-FQEVSTJZSA-N 1 2 439.944 0.900 20 0 ICADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164718976 720252931 /nfs/dbraw/zinc/25/29/31/720252931.db2.gz JQLBCGOLDWBQLL-FQEVSTJZSA-N 1 2 439.944 0.900 20 0 ICADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164718977 720253959 /nfs/dbraw/zinc/25/39/59/720253959.db2.gz JQLBCGOLDWBQLL-HXUWFJFHSA-N 1 2 439.944 0.900 20 0 ICADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164718977 720253947 /nfs/dbraw/zinc/25/39/47/720253947.db2.gz JQLBCGOLDWBQLL-HXUWFJFHSA-N 1 2 439.944 0.900 20 0 ICADLO CCNS(=O)(=O)c1cccnc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719027 720264744 /nfs/dbraw/zinc/26/47/44/720264744.db2.gz KJDKQAOWQPAQDS-IBGZPJMESA-N 1 2 425.555 0.045 20 0 ICADLO CCNS(=O)(=O)c1cccnc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719027 720264735 /nfs/dbraw/zinc/26/47/35/720264735.db2.gz KJDKQAOWQPAQDS-IBGZPJMESA-N 1 2 425.555 0.045 20 0 ICADLO CCNS(=O)(=O)c1cccnc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719029 720264112 /nfs/dbraw/zinc/26/41/12/720264112.db2.gz KJDKQAOWQPAQDS-LJQANCHMSA-N 1 2 425.555 0.045 20 0 ICADLO CCNS(=O)(=O)c1cccnc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719029 720264098 /nfs/dbraw/zinc/26/40/98/720264098.db2.gz KJDKQAOWQPAQDS-LJQANCHMSA-N 1 2 425.555 0.045 20 0 ICADLO CCOC(=O)c1cc(Cl)nnc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719256 720229239 /nfs/dbraw/zinc/22/92/39/720229239.db2.gz PQYLJFHYSWCBQW-IBGZPJMESA-N 1 2 425.917 0.972 20 0 ICADLO CCOC(=O)c1cc(Cl)nnc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719256 720229229 /nfs/dbraw/zinc/22/92/29/720229229.db2.gz PQYLJFHYSWCBQW-IBGZPJMESA-N 1 2 425.917 0.972 20 0 ICADLO CCOC(=O)c1cc(Cl)nnc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719257 720229943 /nfs/dbraw/zinc/22/99/43/720229943.db2.gz PQYLJFHYSWCBQW-LJQANCHMSA-N 1 2 425.917 0.972 20 0 ICADLO CCOC(=O)c1cc(Cl)nnc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719257 720229932 /nfs/dbraw/zinc/22/99/32/720229932.db2.gz PQYLJFHYSWCBQW-LJQANCHMSA-N 1 2 425.917 0.972 20 0 ICADLO CCOC(=O)c1cnc(Cl)nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719308 720213793 /nfs/dbraw/zinc/21/37/93/720213793.db2.gz QYJYMELWVYYKNJ-IBGZPJMESA-N 1 2 425.917 0.972 20 0 ICADLO CCOC(=O)c1cnc(Cl)nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719308 720213791 /nfs/dbraw/zinc/21/37/91/720213791.db2.gz QYJYMELWVYYKNJ-IBGZPJMESA-N 1 2 425.917 0.972 20 0 ICADLO CCOC(=O)c1cnc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719309 720213217 /nfs/dbraw/zinc/21/32/17/720213217.db2.gz QYJYMELWVYYKNJ-LJQANCHMSA-N 1 2 425.917 0.972 20 0 ICADLO CCOC(=O)c1cnc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719309 720213214 /nfs/dbraw/zinc/21/32/14/720213214.db2.gz QYJYMELWVYYKNJ-LJQANCHMSA-N 1 2 425.917 0.972 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(S(N)(=O)=O)cc3Cl)C2)C1 ZINC001164719374 720240020 /nfs/dbraw/zinc/24/00/20/720240020.db2.gz LPGDSSKLDVVESN-KRWDZBQOSA-N 1 2 431.946 0.047 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(S(N)(=O)=O)cc3Cl)C2)C1 ZINC001164719374 720240012 /nfs/dbraw/zinc/24/00/12/720240012.db2.gz LPGDSSKLDVVESN-KRWDZBQOSA-N 1 2 431.946 0.047 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(S(N)(=O)=O)cc3Cl)C2)C1 ZINC001164719375 720239404 /nfs/dbraw/zinc/23/94/04/720239404.db2.gz LPGDSSKLDVVESN-QGZVFWFLSA-N 1 2 431.946 0.047 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(S(N)(=O)=O)cc3Cl)C2)C1 ZINC001164719375 720239399 /nfs/dbraw/zinc/23/93/99/720239399.db2.gz LPGDSSKLDVVESN-QGZVFWFLSA-N 1 2 431.946 0.047 20 0 ICADLO CCOC(=O)c1nnc(SC)nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719416 720233035 /nfs/dbraw/zinc/23/30/35/720233035.db2.gz MYRMPKMUWSVXTR-IBGZPJMESA-N 1 2 438.554 0.435 20 0 ICADLO CCOC(=O)c1nnc(SC)nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719416 720233021 /nfs/dbraw/zinc/23/30/21/720233021.db2.gz MYRMPKMUWSVXTR-IBGZPJMESA-N 1 2 438.554 0.435 20 0 ICADLO CCOC(=O)c1nnc(SC)nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164719417 720232341 /nfs/dbraw/zinc/23/23/41/720232341.db2.gz MYRMPKMUWSVXTR-LJQANCHMSA-N 1 2 438.554 0.435 20 0 ICADLO CCOC(=O)c1nnc(SC)nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164719417 720232338 /nfs/dbraw/zinc/23/23/38/720232338.db2.gz MYRMPKMUWSVXTR-LJQANCHMSA-N 1 2 438.554 0.435 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(F)c4c3C(=O)NC4)C2)C1 ZINC001164719787 720259370 /nfs/dbraw/zinc/25/93/70/720259370.db2.gz OYUKSGNNVUSBEX-IBGZPJMESA-N 1 2 425.892 0.782 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(F)c4c3C(=O)NC4)C2)C1 ZINC001164719787 720259365 /nfs/dbraw/zinc/25/93/65/720259365.db2.gz OYUKSGNNVUSBEX-IBGZPJMESA-N 1 2 425.892 0.782 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(F)c4c3C(=O)NC4)C2)C1 ZINC001164719788 720257629 /nfs/dbraw/zinc/25/76/29/720257629.db2.gz OYUKSGNNVUSBEX-LJQANCHMSA-N 1 2 425.892 0.782 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(F)c4c3C(=O)NC4)C2)C1 ZINC001164719788 720257623 /nfs/dbraw/zinc/25/76/23/720257623.db2.gz OYUKSGNNVUSBEX-LJQANCHMSA-N 1 2 425.892 0.782 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(Cl)nc3C(N)=O)C2)C1 ZINC001164720410 720259203 /nfs/dbraw/zinc/25/92/03/720259203.db2.gz VKAUDKGMXWVJOS-KRWDZBQOSA-N 1 2 431.324 0.547 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(Cl)nc3C(N)=O)C2)C1 ZINC001164720410 720259194 /nfs/dbraw/zinc/25/91/94/720259194.db2.gz VKAUDKGMXWVJOS-KRWDZBQOSA-N 1 2 431.324 0.547 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)nc(Cl)nc3C(N)=O)C2)C1 ZINC001164720411 720260881 /nfs/dbraw/zinc/26/08/81/720260881.db2.gz VKAUDKGMXWVJOS-QGZVFWFLSA-N 1 2 431.324 0.547 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)nc(Cl)nc3C(N)=O)C2)C1 ZINC001164720411 720260872 /nfs/dbraw/zinc/26/08/72/720260872.db2.gz VKAUDKGMXWVJOS-QGZVFWFLSA-N 1 2 431.324 0.547 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3CC(=O)OC)C2)C1 ZINC001164720428 720237293 /nfs/dbraw/zinc/23/72/93/720237293.db2.gz VRRTUEHPXKMYLD-IBGZPJMESA-N 1 2 425.917 0.510 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3CC(=O)OC)C2)C1 ZINC001164720428 720237262 /nfs/dbraw/zinc/23/72/62/720237262.db2.gz VRRTUEHPXKMYLD-IBGZPJMESA-N 1 2 425.917 0.510 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3CC(=O)OC)C2)C1 ZINC001164720429 720238193 /nfs/dbraw/zinc/23/81/93/720238193.db2.gz VRRTUEHPXKMYLD-LJQANCHMSA-N 1 2 425.917 0.510 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3CC(=O)OC)C2)C1 ZINC001164720429 720238187 /nfs/dbraw/zinc/23/81/87/720238187.db2.gz VRRTUEHPXKMYLD-LJQANCHMSA-N 1 2 425.917 0.510 20 0 ICADLO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164720637 720241883 /nfs/dbraw/zinc/24/18/83/720241883.db2.gz ZHSGPGVXGUJIBP-FQEVSTJZSA-N 1 2 439.944 0.900 20 0 ICADLO 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/nfs/dbraw/zinc/30/01/61/720300161.db2.gz FQVGOILXVNDVOK-QGZVFWFLSA-N 1 2 431.946 0.047 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)C2)C1 ZINC001164721061 720308071 /nfs/dbraw/zinc/30/80/71/720308071.db2.gz DGTFBDPVBNJPKI-FOIQADDNSA-N 1 2 439.944 0.963 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)C2)C1 ZINC001164721061 720308062 /nfs/dbraw/zinc/30/80/62/720308062.db2.gz DGTFBDPVBNJPKI-FOIQADDNSA-N 1 2 439.944 0.963 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)C2)C1 ZINC001164721062 720307798 /nfs/dbraw/zinc/30/77/98/720307798.db2.gz DGTFBDPVBNJPKI-MGPUTAFESA-N 1 2 439.944 0.963 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)C2)C1 ZINC001164721062 720307795 /nfs/dbraw/zinc/30/77/95/720307795.db2.gz DGTFBDPVBNJPKI-MGPUTAFESA-N 1 2 439.944 0.963 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)C2)C1 ZINC001164721063 720308326 /nfs/dbraw/zinc/30/83/26/720308326.db2.gz 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CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4cc(C(=O)OC)n(C)c4n3)C2)C1 ZINC001164722834 720281716 /nfs/dbraw/zinc/28/17/16/720281716.db2.gz SLSJDQJKELOIDB-OAQYLSRUSA-N 1 2 430.509 0.420 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC4CCOCC4)nn3)C2)C1 ZINC001164723308 720297289 /nfs/dbraw/zinc/29/72/89/720297289.db2.gz WQRHUIGYAROFBG-JOCHJYFZSA-N 1 2 446.552 0.050 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC4CCOCC4)nn3)C2)C1 ZINC001164723308 720297280 /nfs/dbraw/zinc/29/72/80/720297280.db2.gz WQRHUIGYAROFBG-JOCHJYFZSA-N 1 2 446.552 0.050 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC4CCOCC4)nn3)C2)C1 ZINC001164723310 720295974 /nfs/dbraw/zinc/29/59/74/720295974.db2.gz WQRHUIGYAROFBG-QFIPXVFZSA-N 1 2 446.552 0.050 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC4CCOCC4)nn3)C2)C1 ZINC001164723310 720295961 /nfs/dbraw/zinc/29/59/61/720295961.db2.gz WQRHUIGYAROFBG-QFIPXVFZSA-N 1 2 446.552 0.050 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(OC)nc(N4CCCCCC4)n3)C2)C1 ZINC001164723958 720283401 /nfs/dbraw/zinc/28/34/01/720283401.db2.gz YYXBDOIAQNJBCM-JOCHJYFZSA-N 1 2 447.584 0.925 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(OC)nc(N4CCCCCC4)n3)C2)C1 ZINC001164723958 720283374 /nfs/dbraw/zinc/28/33/74/720283374.db2.gz YYXBDOIAQNJBCM-JOCHJYFZSA-N 1 2 447.584 0.925 20 0 ICADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(OC)nc(N4CCCCCC4)n3)C2)C1 ZINC001164723960 720283440 /nfs/dbraw/zinc/28/34/40/720283440.db2.gz YYXBDOIAQNJBCM-QFIPXVFZSA-N 1 2 447.584 0.925 20 0 ICADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(OC)nc(N4CCCCCC4)n3)C2)C1 ZINC001164723960 720283432 /nfs/dbraw/zinc/28/34/32/720283432.db2.gz YYXBDOIAQNJBCM-QFIPXVFZSA-N 1 2 447.584 0.925 20 0 ICADLO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164725469 720310233 /nfs/dbraw/zinc/31/02/33/720310233.db2.gz VRCADCLRXOUNQT-FQEVSTJZSA-N 1 2 438.960 0.935 20 0 ICADLO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164725469 720310228 /nfs/dbraw/zinc/31/02/28/720310228.db2.gz VRCADCLRXOUNQT-FQEVSTJZSA-N 1 2 438.960 0.935 20 0 ICADLO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164725471 720309621 /nfs/dbraw/zinc/30/96/21/720309621.db2.gz VRCADCLRXOUNQT-HXUWFJFHSA-N 1 2 438.960 0.935 20 0 ICADLO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164725471 720309616 /nfs/dbraw/zinc/30/96/16/720309616.db2.gz VRCADCLRXOUNQT-HXUWFJFHSA-N 1 2 438.960 0.935 20 0 ICADLO CN1CCN(Cc2cn3c([nH+]2)CN(c2[nH+]cnc4[n-]cc(S(C)(=O)=O)c42)CC3)CC1 ZINC001164794239 721511448 /nfs/dbraw/zinc/51/14/48/721511448.db2.gz LYIIHARXTGJSQT-UHFFFAOYSA-N 1 2 430.538 0.326 20 0 ICADLO CCc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc(N2CCOCC2)n1 ZINC001164796725 721516822 /nfs/dbraw/zinc/51/68/22/721516822.db2.gz ANOIFOKGWRWTMP-UHFFFAOYSA-N 1 2 426.569 0.840 20 0 ICADLO CNC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164820416 720382109 /nfs/dbraw/zinc/38/21/09/720382109.db2.gz AYMDHLCLCDMTCH-UHFFFAOYSA-N 1 2 429.550 0.914 20 0 ICADLO CNC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164820416 720382104 /nfs/dbraw/zinc/38/21/04/720382104.db2.gz AYMDHLCLCDMTCH-UHFFFAOYSA-N 1 2 429.550 0.914 20 0 ICADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4nnn5C)CC3)C2=O)cs1 ZINC001164821173 720379114 /nfs/dbraw/zinc/37/91/14/720379114.db2.gz ZCHLZMWWFYSAKJ-UHFFFAOYSA-N 1 2 427.538 0.836 20 0 ICADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4nnn5C)CC3)C2=O)cs1 ZINC001164821173 720379106 /nfs/dbraw/zinc/37/91/06/720379106.db2.gz ZCHLZMWWFYSAKJ-UHFFFAOYSA-N 1 2 427.538 0.836 20 0 ICADLO CCOC(=O)c1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164821893 720442384 /nfs/dbraw/zinc/44/23/84/720442384.db2.gz AJOFEGJCIDBRRZ-INIZCTEOSA-N 1 2 430.509 0.839 20 0 ICADLO CCOC(=O)c1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164821894 720441991 /nfs/dbraw/zinc/44/19/91/720441991.db2.gz AJOFEGJCIDBRRZ-MRXNPFEDSA-N 1 2 430.509 0.839 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1C(N)=O)C2 ZINC001164821901 720439384 /nfs/dbraw/zinc/43/93/84/720439384.db2.gz ANZHPWLOHXBWCT-CYBMUJFWSA-N 1 2 435.916 0.415 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1C(N)=O)C2 ZINC001164821902 720438999 /nfs/dbraw/zinc/43/89/99/720438999.db2.gz ANZHPWLOHXBWCT-ZDUSSCGKSA-N 1 2 435.916 0.415 20 0 ICADLO CCOC(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164822003 720437992 /nfs/dbraw/zinc/43/79/92/720437992.db2.gz BSZYGJJOJXDBGW-INIZCTEOSA-N 1 2 430.509 0.839 20 0 ICADLO CCOC(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164822007 720437504 /nfs/dbraw/zinc/43/75/04/720437504.db2.gz BSZYGJJOJXDBGW-MRXNPFEDSA-N 1 2 430.509 0.839 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(C(N)=O)n1)C2 ZINC001164822305 720445075 /nfs/dbraw/zinc/44/50/75/720445075.db2.gz COIOAXLVTVQHFJ-CYBMUJFWSA-N 1 2 435.916 0.415 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(C(N)=O)n1)C2 ZINC001164822308 720445033 /nfs/dbraw/zinc/44/50/33/720445033.db2.gz COIOAXLVTVQHFJ-ZDUSSCGKSA-N 1 2 435.916 0.415 20 0 ICADLO CCOC(=O)c1nccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164822459 720451125 /nfs/dbraw/zinc/45/11/25/720451125.db2.gz FIZYYYAIJJHXCM-INIZCTEOSA-N 1 2 430.509 0.839 20 0 ICADLO CCOC(=O)c1nccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164822460 720451863 /nfs/dbraw/zinc/45/18/63/720451863.db2.gz FIZYYYAIJJHXCM-MRXNPFEDSA-N 1 2 430.509 0.839 20 0 ICADLO CN(C)C(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164822720 720445834 /nfs/dbraw/zinc/44/58/34/720445834.db2.gz HCIOXLHOBGEAPN-GOSISDBHSA-N 1 2 428.537 0.970 20 0 ICADLO CN(C)C(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164822722 720445185 /nfs/dbraw/zinc/44/51/85/720445185.db2.gz HCIOXLHOBGEAPN-SFHVURJKSA-N 1 2 428.537 0.970 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1S(C)(=O)=O)C2 ZINC001164823385 720442706 /nfs/dbraw/zinc/44/27/06/720442706.db2.gz ITMOYSDXJZUWDW-INIZCTEOSA-N 1 2 435.550 0.671 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1S(C)(=O)=O)C2 ZINC001164823386 720443005 /nfs/dbraw/zinc/44/30/05/720443005.db2.gz ITMOYSDXJZUWDW-MRXNPFEDSA-N 1 2 435.550 0.671 20 0 ICADLO COC(=O)c1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncc1N ZINC001164824019 720442227 /nfs/dbraw/zinc/44/22/27/720442227.db2.gz KVIDCQGBZGSIGW-HNNXBMFYSA-N 1 2 430.509 0.637 20 0 ICADLO COC(=O)c1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncc1N ZINC001164824021 720442184 /nfs/dbraw/zinc/44/21/84/720442184.db2.gz KVIDCQGBZGSIGW-OAHLLOKOSA-N 1 2 430.509 0.637 20 0 ICADLO CCOC(=O)c1cncc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824527 720449810 /nfs/dbraw/zinc/44/98/10/720449810.db2.gz NQDMJYFSJBLSMK-INIZCTEOSA-N 1 2 430.509 0.839 20 0 ICADLO CCOC(=O)c1cncc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824529 720449696 /nfs/dbraw/zinc/44/96/96/720449696.db2.gz NQDMJYFSJBLSMK-MRXNPFEDSA-N 1 2 430.509 0.839 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cnc1C(N)=O)C2 ZINC001164824531 720445476 /nfs/dbraw/zinc/44/54/76/720445476.db2.gz NSKFKJLULYLUFE-CYBMUJFWSA-N 1 2 435.916 0.415 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cnc1C(N)=O)C2 ZINC001164824533 720445614 /nfs/dbraw/zinc/44/56/14/720445614.db2.gz NSKFKJLULYLUFE-ZDUSSCGKSA-N 1 2 435.916 0.415 20 0 ICADLO CCOC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cn1 ZINC001164824628 720448487 /nfs/dbraw/zinc/44/84/87/720448487.db2.gz OGPHEQKWQIVBHL-INIZCTEOSA-N 1 2 430.509 0.839 20 0 ICADLO CCOC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cn1 ZINC001164824630 720448938 /nfs/dbraw/zinc/44/89/38/720448938.db2.gz OGPHEQKWQIVBHL-MRXNPFEDSA-N 1 2 430.509 0.839 20 0 ICADLO CCOC(=O)c1cncnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824968 720428166 /nfs/dbraw/zinc/42/81/66/720428166.db2.gz NAAVJSXNDDSXMU-INIZCTEOSA-N 1 2 430.509 0.839 20 0 ICADLO CCOC(=O)c1cncnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164824969 720427382 /nfs/dbraw/zinc/42/73/82/720427382.db2.gz NAAVJSXNDDSXMU-MRXNPFEDSA-N 1 2 430.509 0.839 20 0 ICADLO COC(=O)Cc1cccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825083 720448985 /nfs/dbraw/zinc/44/89/85/720448985.db2.gz PXXLXZDLQKQVAH-KRWDZBQOSA-N 1 2 429.521 0.983 20 0 ICADLO COC(=O)Cc1cccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825085 720448223 /nfs/dbraw/zinc/44/82/23/720448223.db2.gz PXXLXZDLQKQVAH-QGZVFWFLSA-N 1 2 429.521 0.983 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(n1)OCC(=O)N3)C2 ZINC001164825333 720451795 /nfs/dbraw/zinc/45/17/95/720451795.db2.gz RGCUCROAWPOMHK-HNNXBMFYSA-N 1 2 428.493 0.599 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(n1)OCC(=O)N3)C2 ZINC001164825336 720451439 /nfs/dbraw/zinc/45/14/39/720451439.db2.gz RGCUCROAWPOMHK-OAHLLOKOSA-N 1 2 428.493 0.599 20 0 ICADLO CON(C)C(=O)c1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164828791 720476789 /nfs/dbraw/zinc/47/67/89/720476789.db2.gz AWWPCMVUKQTBDX-GOSISDBHSA-N 1 2 444.536 0.901 20 0 ICADLO CON(C)C(=O)c1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164828795 720476813 /nfs/dbraw/zinc/47/68/13/720476813.db2.gz AWWPCMVUKQTBDX-SFHVURJKSA-N 1 2 444.536 0.901 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc(Cl)c1C(N)=O)C2 ZINC001164829272 720458864 /nfs/dbraw/zinc/45/88/64/720458864.db2.gz FBNFJNDPCWHRLX-CYBMUJFWSA-N 1 2 435.916 0.415 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc(Cl)c1C(N)=O)C2 ZINC001164829273 720459661 /nfs/dbraw/zinc/45/96/61/720459661.db2.gz FBNFJNDPCWHRLX-ZDUSSCGKSA-N 1 2 435.916 0.415 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(S(C)(=O)=O)cn1)C2 ZINC001164829279 720468449 /nfs/dbraw/zinc/46/84/49/720468449.db2.gz FFRUOALRBDVGKK-INIZCTEOSA-N 1 2 435.550 0.671 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(S(C)(=O)=O)cn1)C2 ZINC001164829281 720468089 /nfs/dbraw/zinc/46/80/89/720468089.db2.gz FFRUOALRBDVGKK-MRXNPFEDSA-N 1 2 435.550 0.671 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1C(C)(C)C(=O)N3)C2 ZINC001164829803 720468555 /nfs/dbraw/zinc/46/85/55/720468555.db2.gz HBPUKXRNUUJHFR-HNNXBMFYSA-N 1 2 441.536 0.892 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1C(C)(C)C(=O)N3)C2 ZINC001164829807 720468567 /nfs/dbraw/zinc/46/85/67/720468567.db2.gz HBPUKXRNUUJHFR-OAHLLOKOSA-N 1 2 441.536 0.892 20 0 ICADLO CCOC(=O)Cc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164830115 720457573 /nfs/dbraw/zinc/45/75/73/720457573.db2.gz IZIOVKKHLGMRRK-GOSISDBHSA-N 1 2 444.536 0.768 20 0 ICADLO CCOC(=O)Cc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164830122 720457270 /nfs/dbraw/zinc/45/72/70/720457270.db2.gz IZIOVKKHLGMRRK-SFHVURJKSA-N 1 2 444.536 0.768 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(NC(N)=S)cn1)C2 ZINC001164830385 720478066 /nfs/dbraw/zinc/47/80/66/720478066.db2.gz AZOXCCRYRPSLLP-HNNXBMFYSA-N 1 2 431.566 0.923 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(NC(N)=S)cn1)C2 ZINC001164830386 720477472 /nfs/dbraw/zinc/47/74/72/720477472.db2.gz AZOXCCRYRPSLLP-OAHLLOKOSA-N 1 2 431.566 0.923 20 0 ICADLO C[C@H]1C(=O)Nc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164830584 720457586 /nfs/dbraw/zinc/45/75/86/720457586.db2.gz KFPHMYCMNAGMHD-CABCVRRESA-N 1 2 427.509 0.718 20 0 ICADLO C[C@@H]1C(=O)Nc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164830590 720457880 /nfs/dbraw/zinc/45/78/80/720457880.db2.gz KFPHMYCMNAGMHD-GJZGRUSLSA-N 1 2 427.509 0.718 20 0 ICADLO C[C@H]1C(=O)Nc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164830596 720457128 /nfs/dbraw/zinc/45/71/28/720457128.db2.gz KFPHMYCMNAGMHD-HUUCEWRRSA-N 1 2 427.509 0.718 20 0 ICADLO C[C@@H]1C(=O)Nc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c21 ZINC001164830598 720457148 /nfs/dbraw/zinc/45/71/48/720457148.db2.gz KFPHMYCMNAGMHD-LSDHHAIUSA-N 1 2 427.509 0.718 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(n1)NC(=O)CO3)C2 ZINC001164830621 720457699 /nfs/dbraw/zinc/45/76/99/720457699.db2.gz KKWXYOLGVYPLAQ-HNNXBMFYSA-N 1 2 428.493 0.599 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(n1)NC(=O)CO3)C2 ZINC001164830626 720457565 /nfs/dbraw/zinc/45/75/65/720457565.db2.gz KKWXYOLGVYPLAQ-OAHLLOKOSA-N 1 2 428.493 0.599 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(Cn3cncn3)cn1)C2 ZINC001164830743 720471506 /nfs/dbraw/zinc/47/15/06/720471506.db2.gz LRWJYAFPLVLPFG-IBGZPJMESA-N 1 2 438.536 0.908 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(Cn3cncn3)cn1)C2 ZINC001164830745 720470917 /nfs/dbraw/zinc/47/09/17/720470917.db2.gz LRWJYAFPLVLPFG-LJQANCHMSA-N 1 2 438.536 0.908 20 0 ICADLO COCc1nc(OC)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830915 720481266 /nfs/dbraw/zinc/48/12/66/720481266.db2.gz CKPXJYUHWWZROS-INIZCTEOSA-N 1 2 432.525 0.818 20 0 ICADLO COCc1nc(OC)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830916 720481676 /nfs/dbraw/zinc/48/16/76/720481676.db2.gz CKPXJYUHWWZROS-MRXNPFEDSA-N 1 2 432.525 0.818 20 0 ICADLO CCOC(=O)c1nccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831162 720474267 /nfs/dbraw/zinc/47/42/67/720474267.db2.gz NBKKZWDACTUQDL-INIZCTEOSA-N 1 2 430.509 0.839 20 0 ICADLO CCOC(=O)c1nccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831164 720473692 /nfs/dbraw/zinc/47/36/92/720473692.db2.gz NBKKZWDACTUQDL-MRXNPFEDSA-N 1 2 430.509 0.839 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)NC3CC3)nn1)C2 ZINC001164831219 720475522 /nfs/dbraw/zinc/47/55/22/720475522.db2.gz NTJSLOIERYRKOL-INIZCTEOSA-N 1 2 441.536 0.555 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)NC3CC3)nn1)C2 ZINC001164831220 720475158 /nfs/dbraw/zinc/47/51/58/720475158.db2.gz NTJSLOIERYRKOL-MRXNPFEDSA-N 1 2 441.536 0.555 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(n1)N(C)CC(=O)N3)C2 ZINC001164831221 720458754 /nfs/dbraw/zinc/45/87/54/720458754.db2.gz NTPNPVJBSZOWNI-HNNXBMFYSA-N 1 2 442.524 0.051 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(n1)N(C)CC(=O)N3)C2 ZINC001164831225 720458837 /nfs/dbraw/zinc/45/88/37/720458837.db2.gz NTPNPVJBSZOWNI-OAHLLOKOSA-N 1 2 442.524 0.051 20 0 ICADLO COC(=O)c1ncnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1OC ZINC001164831419 720484306 /nfs/dbraw/zinc/48/43/06/720484306.db2.gz FNQHMIZRVQTJIO-HNNXBMFYSA-N 1 2 446.508 0.458 20 0 ICADLO COC(=O)c1ncnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1OC ZINC001164831421 720484373 /nfs/dbraw/zinc/48/43/73/720484373.db2.gz FNQHMIZRVQTJIO-OAHLLOKOSA-N 1 2 446.508 0.458 20 0 ICADLO CON(C)C(=O)c1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831753 720463469 /nfs/dbraw/zinc/46/34/69/720463469.db2.gz PKJHPYBAUSXHPH-KRWDZBQOSA-N 1 2 444.536 0.901 20 0 ICADLO CON(C)C(=O)c1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831754 720463319 /nfs/dbraw/zinc/46/33/19/720463319.db2.gz PKJHPYBAUSXHPH-QGZVFWFLSA-N 1 2 444.536 0.901 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)nc1C(N)=O)C2 ZINC001164832231 720458845 /nfs/dbraw/zinc/45/88/45/720458845.db2.gz RPVGFAFJTPEAQS-CYBMUJFWSA-N 1 2 435.916 0.415 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)nc1C(N)=O)C2 ZINC001164832233 720459386 /nfs/dbraw/zinc/45/93/86/720459386.db2.gz RPVGFAFJTPEAQS-ZDUSSCGKSA-N 1 2 435.916 0.415 20 0 ICADLO CCNC(=O)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164832267 720475432 /nfs/dbraw/zinc/47/54/32/720475432.db2.gz SHQDLZZEOVHYAX-INIZCTEOSA-N 1 2 429.525 0.412 20 0 ICADLO CCNC(=O)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164832268 720475108 /nfs/dbraw/zinc/47/51/08/720475108.db2.gz SHQDLZZEOVHYAX-MRXNPFEDSA-N 1 2 429.525 0.412 20 0 ICADLO CN(C)C(=O)c1cncc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164832754 720472520 /nfs/dbraw/zinc/47/25/20/720472520.db2.gz WUUJWVNDOIDQIV-INIZCTEOSA-N 1 2 429.525 0.365 20 0 ICADLO CN(C)C(=O)c1cncc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164832755 720471961 /nfs/dbraw/zinc/47/19/61/720471961.db2.gz WUUJWVNDOIDQIV-MRXNPFEDSA-N 1 2 429.525 0.365 20 0 ICADLO COCCOc1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164833083 720472714 /nfs/dbraw/zinc/47/27/14/720472714.db2.gz YHSLZNBCBLDLMJ-KRWDZBQOSA-N 1 2 432.525 0.688 20 0 ICADLO COCCOc1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164833084 720472375 /nfs/dbraw/zinc/47/23/75/720472375.db2.gz YHSLZNBCBLDLMJ-QGZVFWFLSA-N 1 2 432.525 0.688 20 0 ICADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1NC(=O)CS3)C2 ZINC001164834073 720482154 /nfs/dbraw/zinc/48/21/54/720482154.db2.gz RHTASTCZZQJSFJ-AWEZNQCLSA-N 1 2 445.549 0.707 20 0 ICADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1NC(=O)CS3)C2 ZINC001164834074 720481984 /nfs/dbraw/zinc/48/19/84/720481984.db2.gz RHTASTCZZQJSFJ-CQSZACIVSA-N 1 2 445.549 0.707 20 0 ICADLO CNC(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164835388 720483088 /nfs/dbraw/zinc/48/30/88/720483088.db2.gz XTNNGYOQTWJPMA-AWEZNQCLSA-N 1 2 449.943 0.676 20 0 ICADLO CNC(=O)c1cc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164835390 720482232 /nfs/dbraw/zinc/48/22/32/720482232.db2.gz XTNNGYOQTWJPMA-CQSZACIVSA-N 1 2 449.943 0.676 20 0 ICADLO CNS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913392 721794002 /nfs/dbraw/zinc/79/40/02/721794002.db2.gz CSYKNFKLDJBQGA-FQEVSTJZSA-N 1 2 433.534 0.493 20 0 ICADLO CNS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913392 721793997 /nfs/dbraw/zinc/79/39/97/721793997.db2.gz CSYKNFKLDJBQGA-FQEVSTJZSA-N 1 2 433.534 0.493 20 0 ICADLO CNS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913393 721793735 /nfs/dbraw/zinc/79/37/35/721793735.db2.gz CSYKNFKLDJBQGA-HXUWFJFHSA-N 1 2 433.534 0.493 20 0 ICADLO CNS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913393 721793734 /nfs/dbraw/zinc/79/37/34/721793734.db2.gz CSYKNFKLDJBQGA-HXUWFJFHSA-N 1 2 433.534 0.493 20 0 ICADLO CN(C)S(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913728 721793964 /nfs/dbraw/zinc/79/39/64/721793964.db2.gz GLFWWUJOUNZCBB-NRFANRHFSA-N 1 2 447.561 0.835 20 0 ICADLO CN(C)S(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913728 721793963 /nfs/dbraw/zinc/79/39/63/721793963.db2.gz GLFWWUJOUNZCBB-NRFANRHFSA-N 1 2 447.561 0.835 20 0 ICADLO CN(C)S(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913729 721793798 /nfs/dbraw/zinc/79/37/98/721793798.db2.gz GLFWWUJOUNZCBB-OAQYLSRUSA-N 1 2 447.561 0.835 20 0 ICADLO CN(C)S(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913729 721793794 /nfs/dbraw/zinc/79/37/94/721793794.db2.gz GLFWWUJOUNZCBB-OAQYLSRUSA-N 1 2 447.561 0.835 20 0 ICADLO NS(=O)(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(F)c1 ZINC001164914022 721800975 /nfs/dbraw/zinc/80/09/75/721800975.db2.gz KBYBAOBYFURFHL-IBGZPJMESA-N 1 2 437.497 0.371 20 0 ICADLO NS(=O)(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(F)c1 ZINC001164914022 721800973 /nfs/dbraw/zinc/80/09/73/721800973.db2.gz KBYBAOBYFURFHL-IBGZPJMESA-N 1 2 437.497 0.371 20 0 ICADLO NS(=O)(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(F)c1 ZINC001164914023 721801064 /nfs/dbraw/zinc/80/10/64/721801064.db2.gz KBYBAOBYFURFHL-LJQANCHMSA-N 1 2 437.497 0.371 20 0 ICADLO NS(=O)(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(F)c1 ZINC001164914023 721801063 /nfs/dbraw/zinc/80/10/63/721801063.db2.gz KBYBAOBYFURFHL-LJQANCHMSA-N 1 2 437.497 0.371 20 0 ICADLO CN1CC(=O)Nc2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164914455 721786880 /nfs/dbraw/zinc/78/68/80/721786880.db2.gz DIVDOTQDHLUMKV-NRFANRHFSA-N 1 2 425.493 0.368 20 0 ICADLO CN1CC(=O)Nc2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164914455 721786875 /nfs/dbraw/zinc/78/68/75/721786875.db2.gz DIVDOTQDHLUMKV-NRFANRHFSA-N 1 2 425.493 0.368 20 0 ICADLO CN1CC(=O)Nc2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164914463 721786482 /nfs/dbraw/zinc/78/64/82/721786482.db2.gz DIVDOTQDHLUMKV-OAQYLSRUSA-N 1 2 425.493 0.368 20 0 ICADLO CN1CC(=O)Nc2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164914463 721786471 /nfs/dbraw/zinc/78/64/71/721786471.db2.gz DIVDOTQDHLUMKV-OAQYLSRUSA-N 1 2 425.493 0.368 20 0 ICADLO CCNS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914654 721793901 /nfs/dbraw/zinc/79/39/01/721793901.db2.gz OZQNHBGSZQKFQK-NRFANRHFSA-N 1 2 447.561 0.883 20 0 ICADLO CCNS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914654 721793897 /nfs/dbraw/zinc/79/38/97/721793897.db2.gz OZQNHBGSZQKFQK-NRFANRHFSA-N 1 2 447.561 0.883 20 0 ICADLO CCNS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914655 721794218 /nfs/dbraw/zinc/79/42/18/721794218.db2.gz OZQNHBGSZQKFQK-OAQYLSRUSA-N 1 2 447.561 0.883 20 0 ICADLO CCNS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914655 721794216 /nfs/dbraw/zinc/79/42/16/721794216.db2.gz OZQNHBGSZQKFQK-OAQYLSRUSA-N 1 2 447.561 0.883 20 0 ICADLO CNC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915756 721801004 /nfs/dbraw/zinc/80/10/04/721801004.db2.gz ZJJFWWCOSSPJSK-FQEVSTJZSA-N 1 2 432.912 0.992 20 0 ICADLO CNC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915756 721801003 /nfs/dbraw/zinc/80/10/03/721801003.db2.gz ZJJFWWCOSSPJSK-FQEVSTJZSA-N 1 2 432.912 0.992 20 0 ICADLO CNC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915757 721800864 /nfs/dbraw/zinc/80/08/64/721800864.db2.gz ZJJFWWCOSSPJSK-HXUWFJFHSA-N 1 2 432.912 0.992 20 0 ICADLO CNC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915757 721800862 /nfs/dbraw/zinc/80/08/62/721800862.db2.gz ZJJFWWCOSSPJSK-HXUWFJFHSA-N 1 2 432.912 0.992 20 0 ICADLO C[C@H]1C(=O)Nc2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2N1C ZINC001164916359 721784234 /nfs/dbraw/zinc/78/42/34/721784234.db2.gz QDDRHFJIYVHUJF-AOMKIAJQSA-N 1 2 439.520 0.756 20 0 ICADLO C[C@H]1C(=O)Nc2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2N1C ZINC001164916359 721784233 /nfs/dbraw/zinc/78/42/33/721784233.db2.gz QDDRHFJIYVHUJF-AOMKIAJQSA-N 1 2 439.520 0.756 20 0 ICADLO C[C@H]1C(=O)Nc2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2N1C ZINC001164916361 721784263 /nfs/dbraw/zinc/78/42/63/721784263.db2.gz QDDRHFJIYVHUJF-KSFYIVLOSA-N 1 2 439.520 0.756 20 0 ICADLO C[C@H]1C(=O)Nc2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2N1C ZINC001164916361 721784260 /nfs/dbraw/zinc/78/42/60/721784260.db2.gz QDDRHFJIYVHUJF-KSFYIVLOSA-N 1 2 439.520 0.756 20 0 ICADLO C[C@@H]1C(=O)Nc2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2N1C ZINC001164916364 721784096 /nfs/dbraw/zinc/78/40/96/721784096.db2.gz QDDRHFJIYVHUJF-OPAMFIHVSA-N 1 2 439.520 0.756 20 0 ICADLO C[C@@H]1C(=O)Nc2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2N1C ZINC001164916364 721784092 /nfs/dbraw/zinc/78/40/92/721784092.db2.gz QDDRHFJIYVHUJF-OPAMFIHVSA-N 1 2 439.520 0.756 20 0 ICADLO C[C@@H]1C(=O)Nc2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2N1C ZINC001164916366 721784148 /nfs/dbraw/zinc/78/41/48/721784148.db2.gz QDDRHFJIYVHUJF-ZHRRBRCNSA-N 1 2 439.520 0.756 20 0 ICADLO C[C@@H]1C(=O)Nc2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2N1C ZINC001164916366 721784144 /nfs/dbraw/zinc/78/41/44/721784144.db2.gz QDDRHFJIYVHUJF-ZHRRBRCNSA-N 1 2 439.520 0.756 20 0 ICADLO CNS(=O)(=O)c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916618 721788997 /nfs/dbraw/zinc/78/89/97/721788997.db2.gz REQQQQKHMFSDFO-FQEVSTJZSA-N 1 2 433.534 0.493 20 0 ICADLO CNS(=O)(=O)c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916618 721788995 /nfs/dbraw/zinc/78/89/95/721788995.db2.gz REQQQQKHMFSDFO-FQEVSTJZSA-N 1 2 433.534 0.493 20 0 ICADLO CNS(=O)(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916619 721788489 /nfs/dbraw/zinc/78/84/89/721788489.db2.gz REQQQQKHMFSDFO-HXUWFJFHSA-N 1 2 433.534 0.493 20 0 ICADLO CNS(=O)(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916619 721788488 /nfs/dbraw/zinc/78/84/88/721788488.db2.gz REQQQQKHMFSDFO-HXUWFJFHSA-N 1 2 433.534 0.493 20 0 ICADLO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164919518 721819944 /nfs/dbraw/zinc/81/99/44/721819944.db2.gz SDLATXBULABGKL-UHFFFAOYSA-N 1 2 434.522 0.462 20 0 ICADLO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCC[C@@H]4C(N)=O)[nH+]cn2)CC3)n1 ZINC001164935853 721909159 /nfs/dbraw/zinc/90/91/59/721909159.db2.gz QBUSIDRCJZUHIP-GOSISDBHSA-N 1 2 440.552 0.536 20 0 ICADLO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCC[C@@H]4C(N)=O)nc[nH+]2)CC3)n1 ZINC001164935853 721909155 /nfs/dbraw/zinc/90/91/55/721909155.db2.gz QBUSIDRCJZUHIP-GOSISDBHSA-N 1 2 440.552 0.536 20 0 ICADLO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCC[C@H]4C(N)=O)[nH+]cn2)CC3)n1 ZINC001164935855 721909331 /nfs/dbraw/zinc/90/93/31/721909331.db2.gz QBUSIDRCJZUHIP-SFHVURJKSA-N 1 2 440.552 0.536 20 0 ICADLO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCC[C@H]4C(N)=O)nc[nH+]2)CC3)n1 ZINC001164935855 721909329 /nfs/dbraw/zinc/90/93/29/721909329.db2.gz QBUSIDRCJZUHIP-SFHVURJKSA-N 1 2 440.552 0.536 20 0 ICADLO CNS(=O)(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945123 721976288 /nfs/dbraw/zinc/97/62/88/721976288.db2.gz CZQPYDUWVAVHIC-UHFFFAOYSA-N 1 2 429.546 0.961 20 0 ICADLO CNS(=O)(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945123 721976287 /nfs/dbraw/zinc/97/62/87/721976287.db2.gz CZQPYDUWVAVHIC-UHFFFAOYSA-N 1 2 429.546 0.961 20 0 ICADLO CNS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164945984 721978504 /nfs/dbraw/zinc/97/85/04/721978504.db2.gz HWOWLMRKWLVRMC-UHFFFAOYSA-N 1 2 429.546 0.961 20 0 ICADLO CNS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164945984 721978502 /nfs/dbraw/zinc/97/85/02/721978502.db2.gz HWOWLMRKWLVRMC-UHFFFAOYSA-N 1 2 429.546 0.961 20 0 ICADLO NS(=O)(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(F)c1 ZINC001164946371 721981432 /nfs/dbraw/zinc/98/14/32/721981432.db2.gz DLAVLEUGAZWHRN-UHFFFAOYSA-N 1 2 433.509 0.839 20 0 ICADLO NS(=O)(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(F)c1 ZINC001164946371 721981430 /nfs/dbraw/zinc/98/14/30/721981430.db2.gz DLAVLEUGAZWHRN-UHFFFAOYSA-N 1 2 433.509 0.839 20 0 ICADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)C[C@@H]21 ZINC001164949126 721960589 /nfs/dbraw/zinc/96/05/89/721960589.db2.gz TZWLKIZODHRNJW-FGTMMUONSA-N 1 2 427.509 0.625 20 0 ICADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)C[C@H]21 ZINC001164949127 721960723 /nfs/dbraw/zinc/96/07/23/721960723.db2.gz TZWLKIZODHRNJW-KZNAEPCWSA-N 1 2 427.509 0.625 20 0 ICADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)[nH+]cn3)C[C@@H]21 ZINC001164949128 721960668 /nfs/dbraw/zinc/96/06/68/721960668.db2.gz TZWLKIZODHRNJW-OKZBNKHCSA-N 1 2 427.509 0.625 20 0 ICADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCC[C@H]4C(N)=O)[nH+]cn3)C[C@H]21 ZINC001164949129 721960747 /nfs/dbraw/zinc/96/07/47/721960747.db2.gz TZWLKIZODHRNJW-RCCFBDPRSA-N 1 2 427.509 0.625 20 0 ICADLO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008219 721716960 /nfs/dbraw/zinc/71/69/60/721716960.db2.gz CRGDIJJWQKFOMA-UHFFFAOYSA-N 1 2 437.526 0.358 20 0 ICADLO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008219 721716955 /nfs/dbraw/zinc/71/69/55/721716955.db2.gz CRGDIJJWQKFOMA-UHFFFAOYSA-N 1 2 437.526 0.358 20 0 ICADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncccc1S(=O)(=O)N1CCOCC1)C2 ZINC001165008944 721708459 /nfs/dbraw/zinc/70/84/59/721708459.db2.gz LVZINKNLLRKMFX-UHFFFAOYSA-N 1 2 449.581 0.945 20 0 ICADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncccc1S(=O)(=O)N1CCOCC1)C2 ZINC001165008944 721708455 /nfs/dbraw/zinc/70/84/55/721708455.db2.gz LVZINKNLLRKMFX-UHFFFAOYSA-N 1 2 449.581 0.945 20 0 ICADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(S(=O)(=O)N3CCOCC3)cn1)C2 ZINC001165009893 721713809 /nfs/dbraw/zinc/71/38/09/721713809.db2.gz WVVIYNONBPQEJM-UHFFFAOYSA-N 1 2 449.581 0.945 20 0 ICADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(S(=O)(=O)N3CCOCC3)cn1)C2 ZINC001165009893 721713801 /nfs/dbraw/zinc/71/38/01/721713801.db2.gz WVVIYNONBPQEJM-UHFFFAOYSA-N 1 2 449.581 0.945 20 0 ICADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011520 721744140 /nfs/dbraw/zinc/74/41/40/721744140.db2.gz YNYZHOZJZDQLRK-PMERELPUSA-N 1 2 437.566 0.914 20 0 ICADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011523 721743812 /nfs/dbraw/zinc/74/38/12/721743812.db2.gz YNYZHOZJZDQLRK-SSEXGKCCSA-N 1 2 437.566 0.914 20 0 ICADLO C[C@H]1C(=O)NCCN1c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001165036008 721883395 /nfs/dbraw/zinc/88/33/95/721883395.db2.gz HXDFVPJYHLEWDP-HNNXBMFYSA-N 1 2 445.593 0.600 20 0 ICADLO C[C@@H]1C(=O)NCCN1c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001165036014 721883433 /nfs/dbraw/zinc/88/34/33/721883433.db2.gz HXDFVPJYHLEWDP-OAHLLOKOSA-N 1 2 445.593 0.600 20 0 ICADLO CCN(CCC(N)=O)c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001165047337 721983797 /nfs/dbraw/zinc/98/37/97/721983797.db2.gz OFISICMMIIBIMT-UHFFFAOYSA-N 1 2 447.609 0.977 20 0 ICADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC001466447563 1068968176 /nfs/dbraw/zinc/96/81/76/1068968176.db2.gz IUEWKKNREKGGHC-CYBMUJFWSA-N 1 2 444.535 0.509 20 0 ICADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC001466447563 1068968174 /nfs/dbraw/zinc/96/81/74/1068968174.db2.gz IUEWKKNREKGGHC-CYBMUJFWSA-N 1 2 444.535 0.509 20 0 ICADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC001466447565 1068968048 /nfs/dbraw/zinc/96/80/48/1068968048.db2.gz IUEWKKNREKGGHC-ZDUSSCGKSA-N 1 2 444.535 0.509 20 0 ICADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC001466447565 1068968044 /nfs/dbraw/zinc/96/80/44/1068968044.db2.gz IUEWKKNREKGGHC-ZDUSSCGKSA-N 1 2 444.535 0.509 20 0 ICADLO Cc1[nH+]c[nH]c1CC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC001466447702 1068967995 /nfs/dbraw/zinc/96/79/95/1068967995.db2.gz JNPVVXNZDJOYAH-UHFFFAOYSA-N 1 2 430.508 0.181 20 0 ICADLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)C[C@H]1C ZINC001466479558 1068969969 /nfs/dbraw/zinc/96/99/69/1068969969.db2.gz HLEILTLMRLRDTC-GFCCVEGCSA-N 1 2 429.495 0.061 20 0 ICADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)C[C@H]1C ZINC001466479558 1068969967 /nfs/dbraw/zinc/96/99/67/1068969967.db2.gz HLEILTLMRLRDTC-GFCCVEGCSA-N 1 2 429.495 0.061 20 0 ICADLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)C[C@@H]1C ZINC001466479559 1068970048 /nfs/dbraw/zinc/97/00/48/1068970048.db2.gz HLEILTLMRLRDTC-LBPRGKRZSA-N 1 2 429.495 0.061 20 0 ICADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)C[C@@H]1C ZINC001466479559 1068970046 /nfs/dbraw/zinc/97/00/46/1068970046.db2.gz HLEILTLMRLRDTC-LBPRGKRZSA-N 1 2 429.495 0.061 20 0 ICADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C[C@@H]1C ZINC001466480153 1068970146 /nfs/dbraw/zinc/97/01/46/1068970146.db2.gz LRYBNGKOJLDARD-HNNXBMFYSA-N 1 2 444.488 0.591 20 0 ICADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C[C@@H]1C ZINC001466480153 1068970143 /nfs/dbraw/zinc/97/01/43/1068970143.db2.gz LRYBNGKOJLDARD-HNNXBMFYSA-N 1 2 444.488 0.591 20 0 ICADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C[C@H]1C ZINC001466480154 1068970162 /nfs/dbraw/zinc/97/01/62/1068970162.db2.gz LRYBNGKOJLDARD-OAHLLOKOSA-N 1 2 444.488 0.591 20 0 ICADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C[C@H]1C ZINC001466480154 1068970160 /nfs/dbraw/zinc/97/01/60/1068970160.db2.gz LRYBNGKOJLDARD-OAHLLOKOSA-N 1 2 444.488 0.591 20 0 ICADLO CC(C)(CO)[NH+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 ZINC001466540995 1068973704 /nfs/dbraw/zinc/97/37/04/1068973704.db2.gz UDTGNAGEQMZWIL-UHFFFAOYSA-N 1 2 431.580 0.422 20 0 ICADLO COC[C@@]1(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)CN(C(=O)OC(C)(C)C)CCO1 ZINC001466634817 1068977847 /nfs/dbraw/zinc/97/78/47/1068977847.db2.gz AVSVWANEBWCRLE-IFXJQAMLSA-N 1 2 426.470 0.263 20 0 ICADLO COC[C@@]1(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)CN(C(=O)OC(C)(C)C)CCO1 ZINC001466634817 1068977846 /nfs/dbraw/zinc/97/78/46/1068977846.db2.gz AVSVWANEBWCRLE-IFXJQAMLSA-N 1 2 426.470 0.263 20 0 ICADLO COC[C@]1(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)CN(C(=O)OC(C)(C)C)CCO1 ZINC001466634818 1068977690 /nfs/dbraw/zinc/97/76/90/1068977690.db2.gz AVSVWANEBWCRLE-LIRRHRJNSA-N 1 2 426.470 0.263 20 0 ICADLO COC[C@]1(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)CN(C(=O)OC(C)(C)C)CCO1 ZINC001466634818 1068977687 /nfs/dbraw/zinc/97/76/87/1068977687.db2.gz AVSVWANEBWCRLE-LIRRHRJNSA-N 1 2 426.470 0.263 20 0 ICADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001466634981 1068977643 /nfs/dbraw/zinc/97/76/43/1068977643.db2.gz DSNDSFPWQIRYAA-KJEZJMDVSA-N 1 2 442.538 0.758 20 0 ICADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001466634981 1068977638 /nfs/dbraw/zinc/97/76/38/1068977638.db2.gz DSNDSFPWQIRYAA-KJEZJMDVSA-N 1 2 442.538 0.758 20 0 ICADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001466634982 1068977710 /nfs/dbraw/zinc/97/77/10/1068977710.db2.gz DSNDSFPWQIRYAA-NGFNCXNUSA-N 1 2 442.538 0.758 20 0 ICADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001466634982 1068977706 /nfs/dbraw/zinc/97/77/06/1068977706.db2.gz DSNDSFPWQIRYAA-NGFNCXNUSA-N 1 2 442.538 0.758 20 0 ICADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC001466635384 1068977820 /nfs/dbraw/zinc/97/78/20/1068977820.db2.gz JWGBCZJPFVQISY-LBPRGKRZSA-N 1 2 444.560 0.723 20 0 ICADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC001466635384 1068977819 /nfs/dbraw/zinc/97/78/19/1068977819.db2.gz JWGBCZJPFVQISY-LBPRGKRZSA-N 1 2 444.560 0.723 20 0 ICADLO Cc1c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cccc1N1C(=O)CNC1=O ZINC001466794695 1068982683 /nfs/dbraw/zinc/98/26/83/1068982683.db2.gz NMFSWJOSXRYDLF-UHFFFAOYSA-N 1 2 437.522 0.682 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC001466823403 1068983625 /nfs/dbraw/zinc/98/36/25/1068983625.db2.gz XQKWJNGITIITNB-INIZCTEOSA-N 1 2 428.555 0.920 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC001466823406 1068983565 /nfs/dbraw/zinc/98/35/65/1068983565.db2.gz XQKWJNGITIITNB-MRXNPFEDSA-N 1 2 428.555 0.920 20 0 ICADLO CN(C)S(=O)(=O)NCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001466940689 1068988997 /nfs/dbraw/zinc/98/89/97/1068988997.db2.gz WFUWNLMHTSZMBR-UHFFFAOYSA-N 1 2 434.360 0.535 20 0 ICADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC001466953004 1068989351 /nfs/dbraw/zinc/98/93/51/1068989351.db2.gz HCKIPVAYOYFNEG-UHFFFAOYSA-N 1 2 431.518 0.663 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)CC1 ZINC001466959566 1068990040 /nfs/dbraw/zinc/99/00/40/1068990040.db2.gz OCMKPUKYKVOWHE-NRFANRHFSA-N 1 2 433.509 0.896 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)CC1 ZINC001466959567 1068989935 /nfs/dbraw/zinc/98/99/35/1068989935.db2.gz OCMKPUKYKVOWHE-OAQYLSRUSA-N 1 2 433.509 0.896 20 0 ICADLO Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nn1C ZINC001466993723 1068991007 /nfs/dbraw/zinc/99/10/07/1068991007.db2.gz VEORTBKCMQJRPS-HNNXBMFYSA-N 1 2 440.545 0.910 20 0 ICADLO Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nn1C ZINC001466993725 1068991075 /nfs/dbraw/zinc/99/10/75/1068991075.db2.gz VEORTBKCMQJRPS-OAHLLOKOSA-N 1 2 440.545 0.910 20 0 ICADLO NC(=O)Cn1cc(NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)ccc1=O ZINC001467009292 1068991436 /nfs/dbraw/zinc/99/14/36/1068991436.db2.gz JIXXHTNRDLYXDQ-UHFFFAOYSA-N 1 2 429.477 0.366 20 0 ICADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)Nc3ccc(=O)n(CC(N)=O)c3)CC2)C1 ZINC001467014720 1068991957 /nfs/dbraw/zinc/99/19/57/1068991957.db2.gz DBRKCNXMWBBHKB-INIZCTEOSA-N 1 2 448.524 0.493 20 0 ICADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)Nc3ccc(=O)n(CC(N)=O)c3)CC2)C1 ZINC001467014725 1068991818 /nfs/dbraw/zinc/99/18/18/1068991818.db2.gz DBRKCNXMWBBHKB-MRXNPFEDSA-N 1 2 448.524 0.493 20 0 ICADLO COCc1nccc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001467039088 1068992948 /nfs/dbraw/zinc/99/29/48/1068992948.db2.gz AYGJAQWMRDWIOA-UHFFFAOYSA-N 1 2 435.510 0.292 20 0 ICADLO COCCNS(=O)(=O)c1cccc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC001467099137 1068993718 /nfs/dbraw/zinc/99/37/18/1068993718.db2.gz FZTYCFCRUWORCD-UHFFFAOYSA-N 1 2 448.549 0.794 20 0 ICADLO COC(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC001467104709 1068993753 /nfs/dbraw/zinc/99/37/53/1068993753.db2.gz BIOKPEWGAVTMNU-UHFFFAOYSA-N 1 2 448.505 0.537 20 0 ICADLO Cn1ncc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1Cl ZINC001467232365 1068996326 /nfs/dbraw/zinc/99/63/26/1068996326.db2.gz DGJCCBHBAQCGIU-UHFFFAOYSA-N 1 2 427.918 0.742 20 0 ICADLO Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001467258022 1068997333 /nfs/dbraw/zinc/99/73/33/1068997333.db2.gz VJOINSUBPUAZEU-IBGZPJMESA-N 1 2 426.539 0.688 20 0 ICADLO Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001467258022 1068997330 /nfs/dbraw/zinc/99/73/30/1068997330.db2.gz VJOINSUBPUAZEU-IBGZPJMESA-N 1 2 426.539 0.688 20 0 ICADLO Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001467258025 1068997355 /nfs/dbraw/zinc/99/73/55/1068997355.db2.gz VJOINSUBPUAZEU-LJQANCHMSA-N 1 2 426.539 0.688 20 0 ICADLO Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001467258025 1068997354 /nfs/dbraw/zinc/99/73/54/1068997354.db2.gz VJOINSUBPUAZEU-LJQANCHMSA-N 1 2 426.539 0.688 20 0 ICADLO Cn1c2cc(NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)ccc2c(=O)n(C)c1=O ZINC001467320028 1068999637 /nfs/dbraw/zinc/99/96/37/1068999637.db2.gz VZFZJGBLPCKCFP-FQEVSTJZSA-N 1 2 433.534 0.567 20 0 ICADLO Cn1c2cc(NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)ccc2c(=O)n(C)c1=O ZINC001467320030 1068999739 /nfs/dbraw/zinc/99/97/39/1068999739.db2.gz VZFZJGBLPCKCFP-HXUWFJFHSA-N 1 2 433.534 0.567 20 0 ICADLO CCOC1CC(CNC(=O)Nc2ccn(CCN3CC[NH+]=C3[O-])n2)([NH+]2CCOCC2)C1 ZINC001467338548 1069000799 /nfs/dbraw/zinc/00/07/99/1069000799.db2.gz YOUHCDGVMVUCPF-UHFFFAOYSA-N 1 2 435.529 0.300 20 0 ICADLO O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)c1cccn1CC[NH+]1CCOCC1 ZINC001467383253 1069003079 /nfs/dbraw/zinc/00/30/79/1069003079.db2.gz OCDJRBWDQYRLAG-UHFFFAOYSA-N 1 2 442.488 0.807 20 0 ICADLO Cn1nnc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1C(F)F ZINC001467460219 1069007119 /nfs/dbraw/zinc/00/71/19/1069007119.db2.gz PPFJEBWSXORHQI-UHFFFAOYSA-N 1 2 444.468 0.421 20 0 ICADLO C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001467482641 1069008578 /nfs/dbraw/zinc/00/85/78/1069008578.db2.gz LSDUBUXPZQMFBM-LMMKCTJWSA-N 1 2 425.551 0.740 20 0 ICADLO C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001467482642 1069008695 /nfs/dbraw/zinc/00/86/95/1069008695.db2.gz LSDUBUXPZQMFBM-SCTDSRPQSA-N 1 2 425.551 0.740 20 0 ICADLO CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NCC(C)(C)[NH+]3CCOCC3)nn2)C1 ZINC001467587393 1069017141 /nfs/dbraw/zinc/01/71/41/1069017141.db2.gz BJQWVSAMIIHMFY-UHFFFAOYSA-N 1 2 437.545 0.980 20 0 ICADLO CC(C)O[C@H]1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001467645446 1069019965 /nfs/dbraw/zinc/01/99/65/1069019965.db2.gz AGPJJFXUVWJRNH-CALCHBBNSA-N 1 2 425.555 0.789 20 0 ICADLO CC[C@H](C)[C@@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC001467645475 1069019570 /nfs/dbraw/zinc/01/95/70/1069019570.db2.gz ATEXFQCGUFWSRJ-DLBZAZTESA-N 1 2 427.571 0.894 20 0 ICADLO CC[C@@H](C)[C@@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC001467645476 1069019443 /nfs/dbraw/zinc/01/94/43/1069019443.db2.gz ATEXFQCGUFWSRJ-IAGOWNOFSA-N 1 2 427.571 0.894 20 0 ICADLO CC[C@H](C)[C@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC001467645477 1069019706 /nfs/dbraw/zinc/01/97/06/1069019706.db2.gz ATEXFQCGUFWSRJ-IRXDYDNUSA-N 1 2 427.571 0.894 20 0 ICADLO CC[C@@H](C)[C@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC001467645479 1069019867 /nfs/dbraw/zinc/01/98/67/1069019867.db2.gz ATEXFQCGUFWSRJ-SJORKVTESA-N 1 2 427.571 0.894 20 0 ICADLO CC(C)(CO)[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC001467645490 1069019931 /nfs/dbraw/zinc/01/99/31/1069019931.db2.gz AWNLMWPJAHFPCX-GOSISDBHSA-N 1 2 439.582 0.630 20 0 ICADLO CC(C)(CO)[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC001467645491 1069019604 /nfs/dbraw/zinc/01/96/04/1069019604.db2.gz AWNLMWPJAHFPCX-SFHVURJKSA-N 1 2 439.582 0.630 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC001467645509 1069019900 /nfs/dbraw/zinc/01/99/00/1069019900.db2.gz BHZQIKVBSIYYBA-YLJYHZDGSA-N 1 2 437.566 0.480 20 0 ICADLO C[C@H]1CC2(CC(NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C2)CO1 ZINC001467645570 1069019748 /nfs/dbraw/zinc/01/97/48/1069019748.db2.gz CBHLXHOYWJALNS-VXESANQCSA-N 1 2 437.566 0.790 20 0 ICADLO C[C@@H]1CC2(CC(NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C2)CO1 ZINC001467645572 1069020173 /nfs/dbraw/zinc/02/01/73/1069020173.db2.gz CBHLXHOYWJALNS-ZRZPHAQCSA-N 1 2 437.566 0.790 20 0 ICADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](O)C(F)(F)F ZINC001467645590 1069020419 /nfs/dbraw/zinc/02/04/19/1069020419.db2.gz CGMPTAKEMJFGRD-GXTWGEPZSA-N 1 2 439.460 0.144 20 0 ICADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](O)C(F)(F)F ZINC001467645591 1069020231 /nfs/dbraw/zinc/02/02/31/1069020231.db2.gz CGMPTAKEMJFGRD-JSGCOSHPSA-N 1 2 439.460 0.144 20 0 ICADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](O)C(F)(F)F ZINC001467645593 1069020698 /nfs/dbraw/zinc/02/06/98/1069020698.db2.gz CGMPTAKEMJFGRD-OCCSQVGLSA-N 1 2 439.460 0.144 20 0 ICADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](O)C(F)(F)F ZINC001467645595 1069020272 /nfs/dbraw/zinc/02/02/72/1069020272.db2.gz CGMPTAKEMJFGRD-TZMCWYRMSA-N 1 2 439.460 0.144 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1cc(C(F)F)on1 ZINC001467646086 1069020615 /nfs/dbraw/zinc/02/06/15/1069020615.db2.gz FHRCBSVGPDNYLJ-UHFFFAOYSA-N 1 2 444.464 0.958 20 0 ICADLO Cc1cncc(CCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001467646484 1069020529 /nfs/dbraw/zinc/02/05/29/1069020529.db2.gz HMAMCCBWSWKCLN-UHFFFAOYSA-N 1 2 433.538 0.174 20 0 ICADLO CCn1cc([C@H](C)NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001467646694 1069020381 /nfs/dbraw/zinc/02/03/81/1069020381.db2.gz KFGZEMIXFNLNOZ-INIZCTEOSA-N 1 2 435.554 0.810 20 0 ICADLO CCn1cc([C@@H](C)NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001467646696 1069020349 /nfs/dbraw/zinc/02/03/49/1069020349.db2.gz KFGZEMIXFNLNOZ-MRXNPFEDSA-N 1 2 435.554 0.810 20 0 ICADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1csnn1 ZINC001467646840 1069020492 /nfs/dbraw/zinc/02/04/92/1069020492.db2.gz MIBPOYPKPHSVQH-CYBMUJFWSA-N 1 2 425.540 0.445 20 0 ICADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1csnn1 ZINC001467646841 1069021078 /nfs/dbraw/zinc/02/10/78/1069021078.db2.gz MIBPOYPKPHSVQH-ZDUSSCGKSA-N 1 2 425.540 0.445 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1cnc(Cl)cn1 ZINC001467646863 1069021261 /nfs/dbraw/zinc/02/12/61/1069021261.db2.gz NCXJTOMRAYRTRD-UHFFFAOYSA-N 1 2 439.929 0.476 20 0 ICADLO Cc1ccc(CCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC001467647008 1069021667 /nfs/dbraw/zinc/02/16/67/1069021667.db2.gz OQJVMHRMAHFBNF-UHFFFAOYSA-N 1 2 432.550 0.779 20 0 ICADLO COc1cccnc1CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001467647018 1069021390 /nfs/dbraw/zinc/02/13/90/1069021390.db2.gz OVWAFECEXJAJSK-UHFFFAOYSA-N 1 2 434.522 0.436 20 0 ICADLO Cc1nccnc1[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001467647025 1069021168 /nfs/dbraw/zinc/02/11/68/1069021168.db2.gz PQEQVBZCNVTDJI-INIZCTEOSA-N 1 2 433.538 0.692 20 0 ICADLO Cc1nccnc1[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001467647026 1069021050 /nfs/dbraw/zinc/02/10/50/1069021050.db2.gz PQEQVBZCNVTDJI-MRXNPFEDSA-N 1 2 433.538 0.692 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CC2(CCC2)CO1 ZINC001467647353 1069021598 /nfs/dbraw/zinc/02/15/98/1069021598.db2.gz UPQCQASUENKSLM-KRWDZBQOSA-N 1 2 437.566 0.792 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CC2(CCC2)CO1 ZINC001467647354 1069021303 /nfs/dbraw/zinc/02/13/03/1069021303.db2.gz UPQCQASUENKSLM-QGZVFWFLSA-N 1 2 437.566 0.792 20 0 ICADLO CCOC1CC(CNC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)([NH+]2CCOCC2)C1 ZINC001467650089 1069022548 /nfs/dbraw/zinc/02/25/48/1069022548.db2.gz FIUDLZBOOFSALC-TZQQIIETSA-N 1 2 443.541 0.829 20 0 ICADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001467680910 1069024392 /nfs/dbraw/zinc/02/43/92/1069024392.db2.gz QVNAILSGOVMZJD-DLBZAZTESA-N 1 2 426.558 0.929 20 0 ICADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001467680912 1069024534 /nfs/dbraw/zinc/02/45/34/1069024534.db2.gz QVNAILSGOVMZJD-IAGOWNOFSA-N 1 2 426.558 0.929 20 0 ICADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001467680914 1069024239 /nfs/dbraw/zinc/02/42/39/1069024239.db2.gz QVNAILSGOVMZJD-IRXDYDNUSA-N 1 2 426.558 0.929 20 0 ICADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001467680916 1069024609 /nfs/dbraw/zinc/02/46/09/1069024609.db2.gz QVNAILSGOVMZJD-SJORKVTESA-N 1 2 426.558 0.929 20 0 ICADLO CNS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)cc1 ZINC001467697606 1069025131 /nfs/dbraw/zinc/02/51/31/1069025131.db2.gz UVSWYOAJCSNZGS-INIZCTEOSA-N 1 2 425.555 0.147 20 0 ICADLO CNS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2)cc1 ZINC001467697607 1069024897 /nfs/dbraw/zinc/02/48/97/1069024897.db2.gz UVSWYOAJCSNZGS-MRXNPFEDSA-N 1 2 425.555 0.147 20 0 ICADLO CNS(=O)(=O)c1cccc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC001467726100 1069027440 /nfs/dbraw/zinc/02/74/40/1069027440.db2.gz WPTMSXREJGESNW-IBGZPJMESA-N 1 2 426.539 0.010 20 0 ICADLO CNS(=O)(=O)c1cccc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC001467726100 1069027424 /nfs/dbraw/zinc/02/74/24/1069027424.db2.gz WPTMSXREJGESNW-IBGZPJMESA-N 1 2 426.539 0.010 20 0 ICADLO CNS(=O)(=O)c1cccc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC001467726102 1069027975 /nfs/dbraw/zinc/02/79/75/1069027975.db2.gz WPTMSXREJGESNW-LJQANCHMSA-N 1 2 426.539 0.010 20 0 ICADLO CNS(=O)(=O)c1cccc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC001467726102 1069027959 /nfs/dbraw/zinc/02/79/59/1069027959.db2.gz WPTMSXREJGESNW-LJQANCHMSA-N 1 2 426.539 0.010 20 0 ICADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001467756019 1069029460 /nfs/dbraw/zinc/02/94/60/1069029460.db2.gz MQEZLUUSSWZUMB-UHFFFAOYSA-N 1 2 440.566 0.618 20 0 ICADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001467757010 1069029384 /nfs/dbraw/zinc/02/93/84/1069029384.db2.gz RTJMJZBPENONOT-GOSISDBHSA-N 1 2 438.550 0.324 20 0 ICADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001467757012 1069029180 /nfs/dbraw/zinc/02/91/80/1069029180.db2.gz RTJMJZBPENONOT-SFHVURJKSA-N 1 2 438.550 0.324 20 0 ICADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC001467818887 1069035653 /nfs/dbraw/zinc/03/56/53/1069035653.db2.gz MOZLKNJAHIFKTA-UHFFFAOYSA-N 1 2 432.550 0.596 20 0 ICADLO COc1cc(CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)ccc1OCC(N)=O ZINC001467852984 1069039185 /nfs/dbraw/zinc/03/91/85/1069039185.db2.gz PKQLCBXXNFMJTQ-UHFFFAOYSA-N 1 2 428.493 0.419 20 0 ICADLO COc1cc(N)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1S(C)(=O)=O ZINC001467860924 1069039983 /nfs/dbraw/zinc/03/99/83/1069039983.db2.gz KYYWJHRCXIUYKY-AGUYFDCRSA-N 1 2 438.550 0.494 20 0 ICADLO COc1cc(N)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1S(C)(=O)=O ZINC001467860924 1069039968 /nfs/dbraw/zinc/03/99/68/1069039968.db2.gz KYYWJHRCXIUYKY-AGUYFDCRSA-N 1 2 438.550 0.494 20 0 ICADLO CN1CC[C@H]([NH+]2CCC(NC(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)C1=O ZINC001467863522 1069040898 /nfs/dbraw/zinc/04/08/98/1069040898.db2.gz LIEXBAJSDYRXJW-HNNXBMFYSA-N 1 2 430.477 0.054 20 0 ICADLO CN1CC[C@@H]([NH+]2CCC(NC(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)C1=O ZINC001467863524 1069041338 /nfs/dbraw/zinc/04/13/38/1069041338.db2.gz LIEXBAJSDYRXJW-OAHLLOKOSA-N 1 2 430.477 0.054 20 0 ICADLO CN1CC[C@H]([NH+]2CCC(NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CC2)C1=O ZINC001467863815 1069040586 /nfs/dbraw/zinc/04/05/86/1069040586.db2.gz MJUJOMQCAKCSAW-INIZCTEOSA-N 1 2 429.452 0.299 20 0 ICADLO CN1CC[C@@H]([NH+]2CCC(NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CC2)C1=O ZINC001467863816 1069040662 /nfs/dbraw/zinc/04/06/62/1069040662.db2.gz MJUJOMQCAKCSAW-MRXNPFEDSA-N 1 2 429.452 0.299 20 0 ICADLO C[NH+](C)Cc1csc(CNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)n1 ZINC001467877999 1069043626 /nfs/dbraw/zinc/04/36/26/1069043626.db2.gz GIBDCHDHDWEBCE-UHFFFAOYSA-N 1 2 430.534 0.776 20 0 ICADLO CSCC[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001467879141 1069043829 /nfs/dbraw/zinc/04/38/29/1069043829.db2.gz IZVUBVVELYDYIY-CABCVRRESA-N 1 2 429.587 0.930 20 0 ICADLO CSCC[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001467879143 1069043662 /nfs/dbraw/zinc/04/36/62/1069043662.db2.gz IZVUBVVELYDYIY-GJZGRUSLSA-N 1 2 429.587 0.930 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCN3C(=O)CCNC3=S)C2)CC1 ZINC001467880999 1069044561 /nfs/dbraw/zinc/04/45/61/1069044561.db2.gz SNZKHLMBYUNTHM-HNNXBMFYSA-N 1 2 439.582 0.637 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CCN3C(=O)CCNC3=S)C2)CC1 ZINC001467881000 1069044439 /nfs/dbraw/zinc/04/44/39/1069044439.db2.gz SNZKHLMBYUNTHM-OAHLLOKOSA-N 1 2 439.582 0.637 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C2 ZINC001467889375 1069045615 /nfs/dbraw/zinc/04/56/15/1069045615.db2.gz APKJYHFVRCMXNS-INIZCTEOSA-N 1 2 448.545 0.492 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C2 ZINC001467889379 1069045478 /nfs/dbraw/zinc/04/54/78/1069045478.db2.gz APKJYHFVRCMXNS-MRXNPFEDSA-N 1 2 448.545 0.492 20 0 ICADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cn1 ZINC001467898732 1069046696 /nfs/dbraw/zinc/04/66/96/1069046696.db2.gz KDMATQXIBPAHLY-UHFFFAOYSA-N 1 2 445.524 0.725 20 0 ICADLO COc1cc(=O)[nH]cc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001467900269 1069046574 /nfs/dbraw/zinc/04/65/74/1069046574.db2.gz AFZKTLCMCNSJCJ-AWEZNQCLSA-N 1 2 428.493 0.372 20 0 ICADLO COc1cc(=O)[nH]cc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001467900270 1069046609 /nfs/dbraw/zinc/04/66/09/1069046609.db2.gz AFZKTLCMCNSJCJ-CQSZACIVSA-N 1 2 428.493 0.372 20 0 ICADLO COC(=O)c1oc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1C ZINC001467900362 1069046258 /nfs/dbraw/zinc/04/62/58/1069046258.db2.gz DJTLFGNMYWEZCF-HNNXBMFYSA-N 1 2 443.504 0.951 20 0 ICADLO COC(=O)c1oc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1C ZINC001467900363 1069046547 /nfs/dbraw/zinc/04/65/47/1069046547.db2.gz DJTLFGNMYWEZCF-OAHLLOKOSA-N 1 2 443.504 0.951 20 0 ICADLO COc1cc(CCC(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)on1 ZINC001467900395 1069046320 /nfs/dbraw/zinc/04/63/20/1069046320.db2.gz FCIDZQJXGCWMTQ-HNNXBMFYSA-N 1 2 430.509 0.579 20 0 ICADLO COc1cc(CCC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)on1 ZINC001467900396 1069046522 /nfs/dbraw/zinc/04/65/22/1069046522.db2.gz FCIDZQJXGCWMTQ-OAHLLOKOSA-N 1 2 430.509 0.579 20 0 ICADLO C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001467900400 1069046077 /nfs/dbraw/zinc/04/60/77/1069046077.db2.gz FELHEOSEGMDDQL-DLBZAZTESA-N 1 2 427.553 0.562 20 0 ICADLO C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001467900401 1069046653 /nfs/dbraw/zinc/04/66/53/1069046653.db2.gz FELHEOSEGMDDQL-IAGOWNOFSA-N 1 2 427.553 0.562 20 0 ICADLO C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001467900402 1069047701 /nfs/dbraw/zinc/04/77/01/1069047701.db2.gz FELHEOSEGMDDQL-IRXDYDNUSA-N 1 2 427.553 0.562 20 0 ICADLO C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001467900403 1069048155 /nfs/dbraw/zinc/04/81/55/1069048155.db2.gz FELHEOSEGMDDQL-SJORKVTESA-N 1 2 427.553 0.562 20 0 ICADLO CN1CCCC[C@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1=O ZINC001467900571 1069047930 /nfs/dbraw/zinc/04/79/30/1069047930.db2.gz GUDZUUDNWVHTKF-DLBZAZTESA-N 1 2 430.553 0.208 20 0 ICADLO CN1CCCC[C@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1=O ZINC001467900577 1069048219 /nfs/dbraw/zinc/04/82/19/1069048219.db2.gz GUDZUUDNWVHTKF-IAGOWNOFSA-N 1 2 430.553 0.208 20 0 ICADLO CN1CCCC[C@@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1=O ZINC001467900578 1069047717 /nfs/dbraw/zinc/04/77/17/1069047717.db2.gz GUDZUUDNWVHTKF-IRXDYDNUSA-N 1 2 430.553 0.208 20 0 ICADLO CN1CCCC[C@@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1=O ZINC001467900579 1069048186 /nfs/dbraw/zinc/04/81/86/1069048186.db2.gz GUDZUUDNWVHTKF-SJORKVTESA-N 1 2 430.553 0.208 20 0 ICADLO COc1cc(CC(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)ccc1O ZINC001467900649 1069047688 /nfs/dbraw/zinc/04/76/88/1069047688.db2.gz HPCHNXCVYFDZIJ-KRWDZBQOSA-N 1 2 441.532 0.906 20 0 ICADLO COc1cc(CC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)ccc1O ZINC001467900650 1069047745 /nfs/dbraw/zinc/04/77/45/1069047745.db2.gz HPCHNXCVYFDZIJ-QGZVFWFLSA-N 1 2 441.532 0.906 20 0 ICADLO CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001467901455 1069048120 /nfs/dbraw/zinc/04/81/20/1069048120.db2.gz QKMNTYJWIQQXTO-IEBWSBKVSA-N 1 2 432.569 0.500 20 0 ICADLO CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001467901456 1069048334 /nfs/dbraw/zinc/04/83/34/1069048334.db2.gz QKMNTYJWIQQXTO-PKOBYXMFSA-N 1 2 432.569 0.500 20 0 ICADLO COc1cncc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1C ZINC001467901593 1069048877 /nfs/dbraw/zinc/04/88/77/1069048877.db2.gz RQINBBGYCVJKQY-INIZCTEOSA-N 1 2 426.521 0.975 20 0 ICADLO COc1cncc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1C ZINC001467901594 1069048949 /nfs/dbraw/zinc/04/89/49/1069048949.db2.gz RQINBBGYCVJKQY-MRXNPFEDSA-N 1 2 426.521 0.975 20 0 ICADLO O=C(C[NH+]1CCC(NC(=O)N2CCC(O)(COCCO)CC2)CC1)Nc1ccccc1 ZINC001467904328 1069048679 /nfs/dbraw/zinc/04/86/79/1069048679.db2.gz JLAGWXMFCBCERY-UHFFFAOYSA-N 1 2 434.537 0.635 20 0 ICADLO C[C@@]1(C[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)NC(=O)NC1=O ZINC001467944547 1069053646 /nfs/dbraw/zinc/05/36/46/1069053646.db2.gz RCKUVZQPIWWNHZ-HOIFWPIMSA-N 1 2 444.536 0.997 20 0 ICADLO C[C@@]1(C[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)NC(=O)NC1=O ZINC001467944547 1069053642 /nfs/dbraw/zinc/05/36/42/1069053642.db2.gz RCKUVZQPIWWNHZ-HOIFWPIMSA-N 1 2 444.536 0.997 20 0 ICADLO C[C@@]1(C[C@H]2CCCN2C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)NC(=O)NC1=O ZINC001467944548 1069053581 /nfs/dbraw/zinc/05/35/81/1069053581.db2.gz RCKUVZQPIWWNHZ-JLHGSKIFSA-N 1 2 444.536 0.997 20 0 ICADLO C[C@@]1(C[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)NC(=O)NC1=O ZINC001467944548 1069053575 /nfs/dbraw/zinc/05/35/75/1069053575.db2.gz RCKUVZQPIWWNHZ-JLHGSKIFSA-N 1 2 444.536 0.997 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC001467945669 1069054375 /nfs/dbraw/zinc/05/43/75/1069054375.db2.gz DISGVNGEIKNMLW-GQIGUUNPSA-N 1 2 445.582 0.231 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC001467945672 1069054324 /nfs/dbraw/zinc/05/43/24/1069054324.db2.gz DISGVNGEIKNMLW-JXXFODFXSA-N 1 2 445.582 0.231 20 0 ICADLO C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001467952202 1069055400 /nfs/dbraw/zinc/05/54/00/1069055400.db2.gz HIESVNHUFYPTAQ-GOSISDBHSA-N 1 2 443.474 0.841 20 0 ICADLO C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001467952206 1069055366 /nfs/dbraw/zinc/05/53/66/1069055366.db2.gz HIESVNHUFYPTAQ-SFHVURJKSA-N 1 2 443.474 0.841 20 0 ICADLO NC(=O)c1cn(C2CCN(C(=O)NCc3ccccc3C[NH+]3CCOCC3)CC2)nn1 ZINC001467969611 1069057166 /nfs/dbraw/zinc/05/71/66/1069057166.db2.gz XYNTUWBIEALSNJ-UHFFFAOYSA-N 1 2 427.509 0.756 20 0 ICADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001468019746 1069061205 /nfs/dbraw/zinc/06/12/05/1069061205.db2.gz ZOTJBUGGIMHCIC-HRCADAONSA-N 1 2 446.470 0.036 20 0 ICADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001468019748 1069061179 /nfs/dbraw/zinc/06/11/79/1069061179.db2.gz ZOTJBUGGIMHCIC-JYJNAYRXSA-N 1 2 446.470 0.036 20 0 ICADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001468019750 1069061227 /nfs/dbraw/zinc/06/12/27/1069061227.db2.gz ZOTJBUGGIMHCIC-OWCLPIDISA-N 1 2 446.470 0.036 20 0 ICADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001468019753 1069061266 /nfs/dbraw/zinc/06/12/66/1069061266.db2.gz ZOTJBUGGIMHCIC-PMPSAXMXSA-N 1 2 446.470 0.036 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC001468029343 1069065530 /nfs/dbraw/zinc/06/55/30/1069065530.db2.gz OWULWZVQZCTOCC-LLVKDONJSA-N 1 2 431.462 0.493 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC001468029345 1069065587 /nfs/dbraw/zinc/06/55/87/1069065587.db2.gz OWULWZVQZCTOCC-NSHDSACASA-N 1 2 431.462 0.493 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC001468035017 1069067121 /nfs/dbraw/zinc/06/71/21/1069067121.db2.gz BACKXWUXPPOWOL-FQEVSTJZSA-N 1 2 437.541 0.156 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC001468035017 1069067117 /nfs/dbraw/zinc/06/71/17/1069067117.db2.gz BACKXWUXPPOWOL-FQEVSTJZSA-N 1 2 437.541 0.156 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC001468035018 1069067176 /nfs/dbraw/zinc/06/71/76/1069067176.db2.gz BACKXWUXPPOWOL-HXUWFJFHSA-N 1 2 437.541 0.156 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC001468035018 1069067173 /nfs/dbraw/zinc/06/71/73/1069067173.db2.gz BACKXWUXPPOWOL-HXUWFJFHSA-N 1 2 437.541 0.156 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC001468036542 1069067907 /nfs/dbraw/zinc/06/79/07/1069067907.db2.gz PWHFMBDDDDAXCF-UHFFFAOYSA-N 1 2 425.530 0.231 20 0 ICADLO C[C@@H](CNC(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC001468097976 1069073603 /nfs/dbraw/zinc/07/36/03/1069073603.db2.gz HZOLKKLGBPTMBE-AZUAARDMSA-N 1 2 447.580 0.796 20 0 ICADLO C[C@@H](CNC(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC001468097977 1069073685 /nfs/dbraw/zinc/07/36/85/1069073685.db2.gz HZOLKKLGBPTMBE-ICSRJNTNSA-N 1 2 447.580 0.796 20 0 ICADLO C[C@H](CNC(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC001468097978 1069073558 /nfs/dbraw/zinc/07/35/58/1069073558.db2.gz HZOLKKLGBPTMBE-QUCCMNQESA-N 1 2 447.580 0.796 20 0 ICADLO C[C@H](CNC(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC001468097979 1069073654 /nfs/dbraw/zinc/07/36/54/1069073654.db2.gz HZOLKKLGBPTMBE-UYAOXDASSA-N 1 2 447.580 0.796 20 0 ICADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC001468182890 1069086195 /nfs/dbraw/zinc/08/61/95/1069086195.db2.gz YBXFQQWRLXTUDR-MSOLQXFVSA-N 1 2 439.582 0.750 20 0 ICADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC001468182895 1069086927 /nfs/dbraw/zinc/08/69/27/1069086927.db2.gz YBXFQQWRLXTUDR-QZTJIDSGSA-N 1 2 439.582 0.750 20 0 ICADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC001468182901 1069086945 /nfs/dbraw/zinc/08/69/45/1069086945.db2.gz YBXFQQWRLXTUDR-ROUUACIJSA-N 1 2 439.582 0.750 20 0 ICADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC001468182905 1069087036 /nfs/dbraw/zinc/08/70/36/1069087036.db2.gz YBXFQQWRLXTUDR-ZWKOTPCHSA-N 1 2 439.582 0.750 20 0 ICADLO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC001468183073 1069087055 /nfs/dbraw/zinc/08/70/55/1069087055.db2.gz ZRLVXYADAFBKSW-MOPGFXCFSA-N 1 2 432.521 0.870 20 0 ICADLO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC001468183075 1069086981 /nfs/dbraw/zinc/08/69/81/1069086981.db2.gz ZRLVXYADAFBKSW-OALUTQOASA-N 1 2 432.521 0.870 20 0 ICADLO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001468260176 1069093139 /nfs/dbraw/zinc/09/31/39/1069093139.db2.gz PQQOCJJSKFCSAG-INIZCTEOSA-N 1 2 431.518 0.237 20 0 ICADLO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001468260177 1069093301 /nfs/dbraw/zinc/09/33/01/1069093301.db2.gz PQQOCJJSKFCSAG-MRXNPFEDSA-N 1 2 431.518 0.237 20 0 ICADLO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@H]3Cc4c[nH+]cn4C3)ccc2F)CC1 ZINC001468260431 1069093070 /nfs/dbraw/zinc/09/30/70/1069093070.db2.gz YXAHQXQNJWOZQT-HNNXBMFYSA-N 1 2 435.481 0.230 20 0 ICADLO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)ccc2F)CC1 ZINC001468260432 1069093243 /nfs/dbraw/zinc/09/32/43/1069093243.db2.gz YXAHQXQNJWOZQT-OAHLLOKOSA-N 1 2 435.481 0.230 20 0 ICADLO NS(=O)(=O)c1cc(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1F ZINC001468260909 1069093446 /nfs/dbraw/zinc/09/34/46/1069093446.db2.gz IPDWBJBSLMDSHZ-KRWDZBQOSA-N 1 2 432.543 0.480 20 0 ICADLO NS(=O)(=O)c1cc(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1F ZINC001468260910 1069093562 /nfs/dbraw/zinc/09/35/62/1069093562.db2.gz IPDWBJBSLMDSHZ-QGZVFWFLSA-N 1 2 432.543 0.480 20 0 ICADLO NS(=O)(=O)c1ccc(CCCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC001468261013 1069093488 /nfs/dbraw/zinc/09/34/88/1069093488.db2.gz LBSOWRPGBLXYES-IBGZPJMESA-N 1 2 442.607 0.774 20 0 ICADLO NS(=O)(=O)c1ccc(CCCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC001468261015 1069093196 /nfs/dbraw/zinc/09/31/96/1069093196.db2.gz LBSOWRPGBLXYES-LJQANCHMSA-N 1 2 442.607 0.774 20 0 ICADLO NS(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)C2 ZINC001468261331 1069093403 /nfs/dbraw/zinc/09/34/03/1069093403.db2.gz KWHCPDIASVCDFV-IBGZPJMESA-N 1 2 440.591 0.610 20 0 ICADLO NS(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)C2 ZINC001468261332 1069093645 /nfs/dbraw/zinc/09/36/45/1069093645.db2.gz KWHCPDIASVCDFV-LJQANCHMSA-N 1 2 440.591 0.610 20 0 ICADLO CCc1noc(C[C@@]2(O)CCCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2)n1 ZINC001468261483 1069093030 /nfs/dbraw/zinc/09/30/30/1069093030.db2.gz MKFRPXFMOJXFQY-PMACEKPBSA-N 1 2 439.582 0.919 20 0 ICADLO CCc1noc(C[C@@]2(O)CCCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2)n1 ZINC001468261485 1069093345 /nfs/dbraw/zinc/09/33/45/1069093345.db2.gz MKFRPXFMOJXFQY-UXHICEINSA-N 1 2 439.582 0.919 20 0 ICADLO CCc1noc(C[C@]2(O)CCCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2)n1 ZINC001468261486 1069093591 /nfs/dbraw/zinc/09/35/91/1069093591.db2.gz MKFRPXFMOJXFQY-VQTJNVASSA-N 1 2 439.582 0.919 20 0 ICADLO CCc1noc(C[C@]2(O)CCCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2)n1 ZINC001468261488 1069093534 /nfs/dbraw/zinc/09/35/34/1069093534.db2.gz MKFRPXFMOJXFQY-WOJBJXKFSA-N 1 2 439.582 0.919 20 0 ICADLO CCn1cc(CNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c(=O)[nH]c1=O ZINC001468306191 1069100269 /nfs/dbraw/zinc/10/02/69/1069100269.db2.gz AINROIJONMJVSF-UHFFFAOYSA-N 1 2 431.493 0.679 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCCC1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001468310823 1069101115 /nfs/dbraw/zinc/10/11/15/1069101115.db2.gz NJISDKWCZIBVDA-UHFFFAOYSA-N 1 2 440.566 0.622 20 0 ICADLO O=C(CCNC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001468362384 1069107611 /nfs/dbraw/zinc/10/76/11/1069107611.db2.gz AVCUUHVNQDWZIE-INIZCTEOSA-N 1 2 440.508 0.194 20 0 ICADLO O=C(CCNC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001468362389 1069107676 /nfs/dbraw/zinc/10/76/76/1069107676.db2.gz AVCUUHVNQDWZIE-MRXNPFEDSA-N 1 2 440.508 0.194 20 0 ICADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCN1C[C@H]2CCCCN2C1=O ZINC001468362832 1069107504 /nfs/dbraw/zinc/10/75/04/1069107504.db2.gz DZJHYQKLURYWIH-GOSISDBHSA-N 1 2 443.552 0.710 20 0 ICADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCN1C[C@@H]2CCCCN2C1=O ZINC001468362833 1069107846 /nfs/dbraw/zinc/10/78/46/1069107846.db2.gz DZJHYQKLURYWIH-SFHVURJKSA-N 1 2 443.552 0.710 20 0 ICADLO O=C(CCNC(=O)N1CCC(N2CN=NC2=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001468363462 1069108589 /nfs/dbraw/zinc/10/85/89/1069108589.db2.gz MSOWKSWOMFPOBR-UHFFFAOYSA-N 1 2 428.497 0.464 20 0 ICADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](n1cncn1)C(F)(F)F ZINC001468363495 1069108612 /nfs/dbraw/zinc/10/86/12/1069108612.db2.gz NAXXSZCGHIIIOJ-AWEZNQCLSA-N 1 2 440.430 0.815 20 0 ICADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](n1cncn1)C(F)(F)F ZINC001468363497 1069108725 /nfs/dbraw/zinc/10/87/25/1069108725.db2.gz NAXXSZCGHIIIOJ-CQSZACIVSA-N 1 2 440.430 0.815 20 0 ICADLO O=C(CCNC(=O)NCc1ncc2c(n1)CCOC2)N1CCN(c2cccc[nH+]2)CC1 ZINC001468363909 1069108557 /nfs/dbraw/zinc/10/85/57/1069108557.db2.gz SJOFVWMGDREFIC-UHFFFAOYSA-N 1 2 425.493 0.482 20 0 ICADLO O=C(CCNC(=O)N1CC(CNC(=O)C(F)(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001468363946 1069108576 /nfs/dbraw/zinc/10/85/76/1069108576.db2.gz UDPJSVMUSQFTDR-UHFFFAOYSA-N 1 2 442.442 0.440 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC001468363982 1069108713 /nfs/dbraw/zinc/10/87/13/1069108713.db2.gz VNAUHKORBJTVGN-INIZCTEOSA-N 1 2 448.524 0.970 20 0 ICADLO O=C(CCNC(=O)NCC1(C2(O)CCOCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001468363984 1069108463 /nfs/dbraw/zinc/10/84/63/1069108463.db2.gz VPAMSJKWEYTTJM-UHFFFAOYSA-N 1 2 431.537 0.741 20 0 ICADLO O=C(CCNC(=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001468364022 1069109665 /nfs/dbraw/zinc/10/96/65/1069109665.db2.gz WPYAOQNVJKZGBH-ZRZAMGCNSA-N 1 2 445.564 0.677 20 0 ICADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001468367892 1069109783 /nfs/dbraw/zinc/10/97/83/1069109783.db2.gz QWBULBWRPBXLQR-UHFFFAOYSA-N 1 2 441.941 0.976 20 0 ICADLO O=C(NCCCS(=O)(=O)c1ccccc1)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001468381138 1069111437 /nfs/dbraw/zinc/11/14/37/1069111437.db2.gz JAMLGFMQRQURNF-IBGZPJMESA-N 1 2 438.594 0.946 20 0 ICADLO O=C(NCCCS(=O)(=O)c1ccccc1)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001468381143 1069112901 /nfs/dbraw/zinc/11/29/01/1069112901.db2.gz JAMLGFMQRQURNF-LJQANCHMSA-N 1 2 438.594 0.946 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)CC1 ZINC001468454821 1069119979 /nfs/dbraw/zinc/11/99/79/1069119979.db2.gz KHBRHHDHUDWXKV-UHFFFAOYSA-N 1 2 447.580 0.845 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC001468489854 1069124092 /nfs/dbraw/zinc/12/40/92/1069124092.db2.gz FOWOTFZXWDBQGZ-UHFFFAOYSA-N 1 2 433.553 0.325 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC(n3nncc3I)CC2)CCO1 ZINC001468494308 1069124240 /nfs/dbraw/zinc/12/42/40/1069124240.db2.gz ZXTIZEZQBHOUEK-GFCCVEGCSA-N 1 2 448.309 0.950 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC(n3nncc3I)CC2)CCO1 ZINC001468494308 1069124232 /nfs/dbraw/zinc/12/42/32/1069124232.db2.gz ZXTIZEZQBHOUEK-GFCCVEGCSA-N 1 2 448.309 0.950 20 0 ICADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC(n3nncc3I)CC2)CCO1 ZINC001468494309 1069123925 /nfs/dbraw/zinc/12/39/25/1069123925.db2.gz ZXTIZEZQBHOUEK-LBPRGKRZSA-N 1 2 448.309 0.950 20 0 ICADLO C[C@H]1C[N@H+](CCNC(=O)N2CCC(n3nncc3I)CC2)CCO1 ZINC001468494309 1069123900 /nfs/dbraw/zinc/12/39/00/1069123900.db2.gz ZXTIZEZQBHOUEK-LBPRGKRZSA-N 1 2 448.309 0.950 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC001468501051 1069124922 /nfs/dbraw/zinc/12/49/22/1069124922.db2.gz ODKXVDVUNULUNB-IFMALSPDSA-N 1 2 445.520 0.156 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC001468501051 1069124889 /nfs/dbraw/zinc/12/48/89/1069124889.db2.gz ODKXVDVUNULUNB-IFMALSPDSA-N 1 2 445.520 0.156 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC001468501052 1069125109 /nfs/dbraw/zinc/12/51/09/1069125109.db2.gz ODKXVDVUNULUNB-IRLDBZIGSA-N 1 2 445.520 0.156 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC001468501052 1069125101 /nfs/dbraw/zinc/12/51/01/1069125101.db2.gz ODKXVDVUNULUNB-IRLDBZIGSA-N 1 2 445.520 0.156 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC001468501053 1069125199 /nfs/dbraw/zinc/12/51/99/1069125199.db2.gz ODKXVDVUNULUNB-RBBKRZOGSA-N 1 2 445.520 0.156 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC001468501053 1069125185 /nfs/dbraw/zinc/12/51/85/1069125185.db2.gz ODKXVDVUNULUNB-RBBKRZOGSA-N 1 2 445.520 0.156 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC001468501054 1069125430 /nfs/dbraw/zinc/12/54/30/1069125430.db2.gz ODKXVDVUNULUNB-UNMCSNQZSA-N 1 2 445.520 0.156 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC001468501054 1069125388 /nfs/dbraw/zinc/12/53/88/1069125388.db2.gz ODKXVDVUNULUNB-UNMCSNQZSA-N 1 2 445.520 0.156 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N[C@H]3C[C@H](C)OC3=O)cc2)CC1 ZINC001468548395 1069133015 /nfs/dbraw/zinc/13/30/15/1069133015.db2.gz CGRUIWOFEKFBDN-JXFKEZNVSA-N 1 2 432.521 0.775 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N[C@@H]3C[C@H](C)OC3=O)cc2)CC1 ZINC001468548397 1069133449 /nfs/dbraw/zinc/13/34/49/1069133449.db2.gz CGRUIWOFEKFBDN-OXJNMPFZSA-N 1 2 432.521 0.775 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N[C@@H]3C[C@@H](C)OC3=O)cc2)CC1 ZINC001468548400 1069132905 /nfs/dbraw/zinc/13/29/05/1069132905.db2.gz CGRUIWOFEKFBDN-OXQOHEQNSA-N 1 2 432.521 0.775 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N[C@H]3C[C@@H](C)OC3=O)cc2)CC1 ZINC001468548401 1069133415 /nfs/dbraw/zinc/13/34/15/1069133415.db2.gz CGRUIWOFEKFBDN-UZLBHIALSA-N 1 2 432.521 0.775 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CCO[C@H]([C@H](C)O)C3)cc2)CC1 ZINC001468548642 1069133114 /nfs/dbraw/zinc/13/31/14/1069133114.db2.gz FOSSQRREDXCNGR-AVRDEDQJSA-N 1 2 448.564 0.563 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CCO[C@H]([C@@H](C)O)C3)cc2)CC1 ZINC001468548643 1069133565 /nfs/dbraw/zinc/13/35/65/1069133565.db2.gz FOSSQRREDXCNGR-GCJKJVERSA-N 1 2 448.564 0.563 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CCO[C@@H]([C@H](C)O)C3)cc2)CC1 ZINC001468548644 1069133488 /nfs/dbraw/zinc/13/34/88/1069133488.db2.gz FOSSQRREDXCNGR-PGRDOPGGSA-N 1 2 448.564 0.563 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CCO[C@@H]([C@@H](C)O)C3)cc2)CC1 ZINC001468548645 1069134503 /nfs/dbraw/zinc/13/45/03/1069134503.db2.gz FOSSQRREDXCNGR-XMSQKQJNSA-N 1 2 448.564 0.563 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N(C)Cc3cn(C)nn3)cc2)CC1 ZINC001468548672 1069134117 /nfs/dbraw/zinc/13/41/17/1069134117.db2.gz GKCNJDRIRBQQAD-UHFFFAOYSA-N 1 2 443.552 0.742 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N[C@@H]3COCC[C@H]3O)cc2)CC1 ZINC001468548719 1069134410 /nfs/dbraw/zinc/13/44/10/1069134410.db2.gz HFKRVQGLGPSDRG-NHCUHLMSSA-N 1 2 434.537 0.221 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NC[C@@H]3CNC(=O)C3)cc2)CC1 ZINC001468548881 1069134367 /nfs/dbraw/zinc/13/43/67/1069134367.db2.gz IYDVAJCURRCGAA-IBGZPJMESA-N 1 2 431.537 0.207 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NC[C@H]3CNC(=O)C3)cc2)CC1 ZINC001468548882 1069134536 /nfs/dbraw/zinc/13/45/36/1069134536.db2.gz IYDVAJCURRCGAA-LJQANCHMSA-N 1 2 431.537 0.207 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N(C)Cc3nc[nH]n3)cc2)CC1 ZINC001468548894 1069134214 /nfs/dbraw/zinc/13/42/14/1069134214.db2.gz JSMIWJNILPGPBJ-UHFFFAOYSA-N 1 2 429.525 0.732 20 0 ICADLO 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2 439.578 0.758 20 0 ICADLO CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC001470685567 1069341494 /nfs/dbraw/zinc/34/14/94/1069341494.db2.gz KDJKDQKBMOFNOT-HRAATJIYSA-N 1 2 443.516 0.522 20 0 ICADLO CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001470685572 1069341277 /nfs/dbraw/zinc/34/12/77/1069341277.db2.gz KDJKDQKBMOFNOT-IERDGZPVSA-N 1 2 443.516 0.522 20 0 ICADLO CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001470685576 1069341342 /nfs/dbraw/zinc/34/13/42/1069341342.db2.gz KDJKDQKBMOFNOT-IIBYNOLFSA-N 1 2 443.516 0.522 20 0 ICADLO CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC001470685580 1069341655 /nfs/dbraw/zinc/34/16/55/1069341655.db2.gz KDJKDQKBMOFNOT-KKSFZXQISA-N 1 2 443.516 0.522 20 0 ICADLO Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC001470685974 1069341237 /nfs/dbraw/zinc/34/12/37/1069341237.db2.gz MSDGGLBLVKIERY-IBGZPJMESA-N 1 2 439.578 0.922 20 0 ICADLO Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC001470685984 1069341216 /nfs/dbraw/zinc/34/12/16/1069341216.db2.gz MSDGGLBLVKIERY-LJQANCHMSA-N 1 2 439.578 0.922 20 0 ICADLO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001470686116 1069341696 /nfs/dbraw/zinc/34/16/96/1069341696.db2.gz OAFZQCANUFELGI-IBGZPJMESA-N 1 2 428.537 0.998 20 0 ICADLO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001470686120 1069341446 /nfs/dbraw/zinc/34/14/46/1069341446.db2.gz OAFZQCANUFELGI-LJQANCHMSA-N 1 2 428.537 0.998 20 0 ICADLO COc1cc(C(=O)NCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)ccc1OC(F)F ZINC001470686462 1069341412 /nfs/dbraw/zinc/34/14/12/1069341412.db2.gz PWTWDGKJJODFAK-HNNXBMFYSA-N 1 2 443.447 0.586 20 0 ICADLO COc1cc(C(=O)NCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)ccc1OC(F)F ZINC001470686463 1069341565 /nfs/dbraw/zinc/34/15/65/1069341565.db2.gz PWTWDGKJJODFAK-OAHLLOKOSA-N 1 2 443.447 0.586 20 0 ICADLO COc1ccc(-c2nn(CC(=O)N3CCO[C@@H](C[NH+]4CCOCC4)C3)cc2C=O)cc1 ZINC001470686594 1069341861 /nfs/dbraw/zinc/34/18/61/1069341861.db2.gz VRIIQGIBJFZOES-FQEVSTJZSA-N 1 2 428.489 0.931 20 0 ICADLO COc1ccc(-c2nn(CC(=O)N3CCO[C@H](C[NH+]4CCOCC4)C3)cc2C=O)cc1 ZINC001470686595 1069342171 /nfs/dbraw/zinc/34/21/71/1069342171.db2.gz VRIIQGIBJFZOES-HXUWFJFHSA-N 1 2 428.489 0.931 20 0 ICADLO COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC001470686951 1069342115 /nfs/dbraw/zinc/34/21/15/1069342115.db2.gz VPDREZQHJTXYMX-IBGZPJMESA-N 1 2 433.505 0.334 20 0 ICADLO COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001470687128 1069342086 /nfs/dbraw/zinc/34/20/86/1069342086.db2.gz VPDREZQHJTXYMX-LJQANCHMSA-N 1 2 433.505 0.334 20 0 ICADLO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC001470687175 1069341952 /nfs/dbraw/zinc/34/19/52/1069341952.db2.gz WBRHSFRDSFUJOP-DYESRHJHSA-N 1 2 434.468 0.152 20 0 ICADLO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC001470687178 1069341899 /nfs/dbraw/zinc/34/18/99/1069341899.db2.gz WBRHSFRDSFUJOP-LAUBAEHRSA-N 1 2 434.468 0.152 20 0 ICADLO C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC001470687180 1069342234 /nfs/dbraw/zinc/34/22/34/1069342234.db2.gz WBRHSFRDSFUJOP-UTKZUKDTSA-N 1 2 434.468 0.152 20 0 ICADLO C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC001470687182 1069341983 /nfs/dbraw/zinc/34/19/83/1069341983.db2.gz WBRHSFRDSFUJOP-UWJYYQICSA-N 1 2 434.468 0.152 20 0 ICADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001470687649 1069342287 /nfs/dbraw/zinc/34/22/87/1069342287.db2.gz YPYIWASGKBCQQO-GOEBONIOSA-N 1 2 431.942 0.566 20 0 ICADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001470687651 1069342031 /nfs/dbraw/zinc/34/20/31/1069342031.db2.gz YPYIWASGKBCQQO-HOCLYGCPSA-N 1 2 431.942 0.566 20 0 ICADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001470712160 1069345299 /nfs/dbraw/zinc/34/52/99/1069345299.db2.gz AQUUZWQISTZXKG-INIZCTEOSA-N 1 2 429.502 0.832 20 0 ICADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001470712161 1069345176 /nfs/dbraw/zinc/34/51/76/1069345176.db2.gz AQUUZWQISTZXKG-MRXNPFEDSA-N 1 2 429.502 0.832 20 0 ICADLO Cc1cccc2nc(CCNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cn21 ZINC001470720272 1069345356 /nfs/dbraw/zinc/34/53/56/1069345356.db2.gz WUNOCJOCPPLZGF-UHFFFAOYSA-N 1 2 449.581 0.005 20 0 ICADLO Cc1nc(S(=O)(=O)NCCC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cn1C ZINC001470723689 1069345511 /nfs/dbraw/zinc/34/55/11/1069345511.db2.gz KDZXKJIEIQSBCP-UHFFFAOYSA-N 1 2 438.579 0.662 20 0 ICADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001470723750 1069345134 /nfs/dbraw/zinc/34/51/34/1069345134.db2.gz LUZHZKDEESZNEE-UHFFFAOYSA-N 1 2 440.323 0.976 20 0 ICADLO COC(=O)c1nc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1Cl ZINC001470753025 1069349356 /nfs/dbraw/zinc/34/93/56/1069349356.db2.gz LCYPOZFSEJRURK-IBGZPJMESA-N 1 2 426.901 0.937 20 0 ICADLO COC(=O)c1nc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1Cl ZINC001470753025 1069349339 /nfs/dbraw/zinc/34/93/39/1069349339.db2.gz LCYPOZFSEJRURK-IBGZPJMESA-N 1 2 426.901 0.937 20 0 ICADLO COC(=O)c1nc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1Cl ZINC001470753026 1069349482 /nfs/dbraw/zinc/34/94/82/1069349482.db2.gz LCYPOZFSEJRURK-LJQANCHMSA-N 1 2 426.901 0.937 20 0 ICADLO COC(=O)c1nc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1Cl ZINC001470753026 1069349467 /nfs/dbraw/zinc/34/94/67/1069349467.db2.gz LCYPOZFSEJRURK-LJQANCHMSA-N 1 2 426.901 0.937 20 0 ICADLO COc1ccc(N2C[C@@H](NC(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)CC2=O)cc1 ZINC001470760478 1069349844 /nfs/dbraw/zinc/34/98/44/1069349844.db2.gz ZVVMIMNRXVORMY-AOMKIAJQSA-N 1 2 432.521 0.716 20 0 ICADLO COc1ccc(N2C[C@@H](NC(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)CC2=O)cc1 ZINC001470760478 1069349827 /nfs/dbraw/zinc/34/98/27/1069349827.db2.gz ZVVMIMNRXVORMY-AOMKIAJQSA-N 1 2 432.521 0.716 20 0 ICADLO COc1ccc(N2C[C@@H](NC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)CC2=O)cc1 ZINC001470760480 1069349924 /nfs/dbraw/zinc/34/99/24/1069349924.db2.gz ZVVMIMNRXVORMY-KSFYIVLOSA-N 1 2 432.521 0.716 20 0 ICADLO COc1ccc(N2C[C@@H](NC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)CC2=O)cc1 ZINC001470760480 1069349914 /nfs/dbraw/zinc/34/99/14/1069349914.db2.gz ZVVMIMNRXVORMY-KSFYIVLOSA-N 1 2 432.521 0.716 20 0 ICADLO COc1ccc(N2C[C@H](NC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)CC2=O)cc1 ZINC001470760482 1069349744 /nfs/dbraw/zinc/34/97/44/1069349744.db2.gz ZVVMIMNRXVORMY-OPAMFIHVSA-N 1 2 432.521 0.716 20 0 ICADLO COc1ccc(N2C[C@H](NC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)CC2=O)cc1 ZINC001470760482 1069349734 /nfs/dbraw/zinc/34/97/34/1069349734.db2.gz ZVVMIMNRXVORMY-OPAMFIHVSA-N 1 2 432.521 0.716 20 0 ICADLO COc1ccc(N2C[C@H](NC(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)CC2=O)cc1 ZINC001470760485 1069349787 /nfs/dbraw/zinc/34/97/87/1069349787.db2.gz ZVVMIMNRXVORMY-ZHRRBRCNSA-N 1 2 432.521 0.716 20 0 ICADLO COc1ccc(N2C[C@H](NC(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)CC2=O)cc1 ZINC001470760485 1069349774 /nfs/dbraw/zinc/34/97/74/1069349774.db2.gz ZVVMIMNRXVORMY-ZHRRBRCNSA-N 1 2 432.521 0.716 20 0 ICADLO CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CC(O)(C(N)=O)C1 ZINC001470772825 1069352368 /nfs/dbraw/zinc/35/23/68/1069352368.db2.gz PRYLNFXHAKGJDL-KRWDZBQOSA-N 1 2 443.504 0.426 20 0 ICADLO COc1cccc(C[NH+]2CCN(C(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)CC2)c1 ZINC001470781500 1069353157 /nfs/dbraw/zinc/35/31/57/1069353157.db2.gz DOGHMUULCKDIMR-UHFFFAOYSA-N 1 2 435.550 0.750 20 0 ICADLO COC[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCOCC1 ZINC001470782589 1069353106 /nfs/dbraw/zinc/35/31/06/1069353106.db2.gz OSGUQYRDWBYZAS-GOSISDBHSA-N 1 2 434.541 0.586 20 0 ICADLO COC[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCOCC1 ZINC001470782589 1069353087 /nfs/dbraw/zinc/35/30/87/1069353087.db2.gz OSGUQYRDWBYZAS-GOSISDBHSA-N 1 2 434.541 0.586 20 0 ICADLO COC[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCOCC1 ZINC001470782590 1069353034 /nfs/dbraw/zinc/35/30/34/1069353034.db2.gz OSGUQYRDWBYZAS-SFHVURJKSA-N 1 2 434.541 0.586 20 0 ICADLO COC[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCOCC1 ZINC001470782590 1069353018 /nfs/dbraw/zinc/35/30/18/1069353018.db2.gz OSGUQYRDWBYZAS-SFHVURJKSA-N 1 2 434.541 0.586 20 0 ICADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC001470804717 1069354139 /nfs/dbraw/zinc/35/41/39/1069354139.db2.gz BGYDMLCYWJLTDA-UHFFFAOYSA-N 1 2 432.546 0.695 20 0 ICADLO COc1cc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc(OC)c1OCC(N)=O ZINC001470805958 1069354824 /nfs/dbraw/zinc/35/48/24/1069354824.db2.gz YRUASWNUKMPZFK-UHFFFAOYSA-N 1 2 428.489 0.963 20 0 ICADLO COCCNS(=O)(=O)c1cccc(NC(=O)c2cccn2CC[NH+]2CCOCC2)c1 ZINC001470835793 1069359661 /nfs/dbraw/zinc/35/96/61/1069359661.db2.gz XAEXUQFSWBTUDU-UHFFFAOYSA-N 1 2 436.534 0.997 20 0 ICADLO CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001470844886 1069360757 /nfs/dbraw/zinc/36/07/57/1069360757.db2.gz QWUQPZMZEXMQCK-HOTGVXAUSA-N 1 2 431.942 0.056 20 0 ICADLO CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001470844886 1069360747 /nfs/dbraw/zinc/36/07/47/1069360747.db2.gz QWUQPZMZEXMQCK-HOTGVXAUSA-N 1 2 431.942 0.056 20 0 ICADLO CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001470844887 1069360521 /nfs/dbraw/zinc/36/05/21/1069360521.db2.gz QWUQPZMZEXMQCK-JKSUJKDBSA-N 1 2 431.942 0.056 20 0 ICADLO CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001470844887 1069360507 /nfs/dbraw/zinc/36/05/07/1069360507.db2.gz QWUQPZMZEXMQCK-JKSUJKDBSA-N 1 2 431.942 0.056 20 0 ICADLO COc1cccc([C@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)CC[NH2+]2)c1 ZINC001470856944 1069362729 /nfs/dbraw/zinc/36/27/29/1069362729.db2.gz BXXWAKBHXIRBTM-KBXCAEBGSA-N 1 2 435.550 0.885 20 0 ICADLO COc1cccc([C@@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)CC[NH2+]2)c1 ZINC001470856945 1069362578 /nfs/dbraw/zinc/36/25/78/1069362578.db2.gz BXXWAKBHXIRBTM-KDOFPFPSSA-N 1 2 435.550 0.885 20 0 ICADLO COc1cccc([C@@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)CC[NH2+]2)c1 ZINC001470856946 1069363130 /nfs/dbraw/zinc/36/31/30/1069363130.db2.gz BXXWAKBHXIRBTM-KSSFIOAISA-N 1 2 435.550 0.885 20 0 ICADLO COc1cccc([C@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)CC[NH2+]2)c1 ZINC001470856947 1069363344 /nfs/dbraw/zinc/36/33/44/1069363344.db2.gz BXXWAKBHXIRBTM-RDTXWAMCSA-N 1 2 435.550 0.885 20 0 ICADLO CCN1C(=O)CO[C@H](C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccnn1C ZINC001470858236 1069363371 /nfs/dbraw/zinc/36/33/71/1069363371.db2.gz JVDIPKRMJJZALQ-UIFIKXQLSA-N 1 2 427.505 0.890 20 0 ICADLO CCN1C(=O)CO[C@H](C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)[C@H]1c1ccnn1C ZINC001470858238 1069363479 /nfs/dbraw/zinc/36/34/79/1069363479.db2.gz JVDIPKRMJJZALQ-WMQCIHAUSA-N 1 2 427.505 0.890 20 0 ICADLO COc1cccc([C@H]2CN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC[NH2+]2)c1 ZINC001470859206 1069363297 /nfs/dbraw/zinc/36/32/97/1069363297.db2.gz UIBGLPWFLDMGCB-CRAIPNDOSA-N 1 2 434.518 0.334 20 0 ICADLO COc1cccc([C@H]2CN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC[NH2+]2)c1 ZINC001470859207 1069363434 /nfs/dbraw/zinc/36/34/34/1069363434.db2.gz UIBGLPWFLDMGCB-MAUKXSAKSA-N 1 2 434.518 0.334 20 0 ICADLO COc1cccc([C@@H]2CN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC[NH2+]2)c1 ZINC001470859208 1069363089 /nfs/dbraw/zinc/36/30/89/1069363089.db2.gz UIBGLPWFLDMGCB-QAPCUYQASA-N 1 2 434.518 0.334 20 0 ICADLO COc1cccc([C@@H]2CN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC[NH2+]2)c1 ZINC001470859209 1069363417 /nfs/dbraw/zinc/36/34/17/1069363417.db2.gz UIBGLPWFLDMGCB-YJBOKZPZSA-N 1 2 434.518 0.334 20 0 ICADLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001470879984 1069365021 /nfs/dbraw/zinc/36/50/21/1069365021.db2.gz LUWHJTQSEMRHEI-IBGZPJMESA-N 1 2 433.534 0.536 20 0 ICADLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001470879988 1069365327 /nfs/dbraw/zinc/36/53/27/1069365327.db2.gz LUWHJTQSEMRHEI-LJQANCHMSA-N 1 2 433.534 0.536 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC[NH2+]2)cn1 ZINC001470880379 1069365615 /nfs/dbraw/zinc/36/56/15/1069365615.db2.gz NPUMUEXXHPPBDI-AWEZNQCLSA-N 1 2 425.536 0.289 20 0 ICADLO Cn1cc([C@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC[NH2+]2)cn1 ZINC001470880383 1069365534 /nfs/dbraw/zinc/36/55/34/1069365534.db2.gz NPUMUEXXHPPBDI-CQSZACIVSA-N 1 2 425.536 0.289 20 0 ICADLO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001470880626 1069365822 /nfs/dbraw/zinc/36/58/22/1069365822.db2.gz QOFHFBKSISEPBC-MSOLQXFVSA-N 1 2 437.591 0.993 20 0 ICADLO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001470880628 1069365925 /nfs/dbraw/zinc/36/59/25/1069365925.db2.gz QOFHFBKSISEPBC-QZTJIDSGSA-N 1 2 437.591 0.993 20 0 ICADLO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001470880630 1069365738 /nfs/dbraw/zinc/36/57/38/1069365738.db2.gz QOFHFBKSISEPBC-ROUUACIJSA-N 1 2 437.591 0.993 20 0 ICADLO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001470880631 1069365888 /nfs/dbraw/zinc/36/58/88/1069365888.db2.gz QOFHFBKSISEPBC-ZWKOTPCHSA-N 1 2 437.591 0.993 20 0 ICADLO Cn1cc([C@H]2CN(C(=O)Cn3nc(Br)c(Br)n3)CC[NH2+]2)cn1 ZINC001470880790 1069365939 /nfs/dbraw/zinc/36/59/39/1069365939.db2.gz MNXYDUCOASZKLJ-SECBINFHSA-N 1 2 433.108 0.710 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)Cn3nc(Br)c(Br)n3)CC[NH2+]2)cn1 ZINC001470880792 1069365485 /nfs/dbraw/zinc/36/54/85/1069365485.db2.gz MNXYDUCOASZKLJ-VIFPVBQESA-N 1 2 433.108 0.710 20 0 ICADLO Cn1cc([C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c(Br)c3)CC[NH2+]2)cn1 ZINC001470881455 1069365856 /nfs/dbraw/zinc/36/58/56/1069365856.db2.gz VUUKKJUWPUYOCB-CYBMUJFWSA-N 1 2 428.312 0.617 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c(Br)c3)CC[NH2+]2)cn1 ZINC001470881456 1069365958 /nfs/dbraw/zinc/36/59/58/1069365958.db2.gz VUUKKJUWPUYOCB-ZDUSSCGKSA-N 1 2 428.312 0.617 20 0 ICADLO NC(=O)CC[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001470885788 1069365585 /nfs/dbraw/zinc/36/55/85/1069365585.db2.gz COTVPEOYGXTVRZ-MOPGFXCFSA-N 1 2 426.521 0.656 20 0 ICADLO NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001470885789 1069366291 /nfs/dbraw/zinc/36/62/91/1069366291.db2.gz COTVPEOYGXTVRZ-OALUTQOASA-N 1 2 426.521 0.656 20 0 ICADLO NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001470885790 1069366331 /nfs/dbraw/zinc/36/63/31/1069366331.db2.gz COTVPEOYGXTVRZ-RBUKOAKNSA-N 1 2 426.521 0.656 20 0 ICADLO NC(=O)CC[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001470885791 1069366500 /nfs/dbraw/zinc/36/65/00/1069366500.db2.gz COTVPEOYGXTVRZ-RTBURBONSA-N 1 2 426.521 0.656 20 0 ICADLO O=C(c1sccc1S(=O)(=O)N1CCC(CO)CC1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001470886454 1069366621 /nfs/dbraw/zinc/36/66/21/1069366621.db2.gz IAPMQNGZAKHYNV-HNNXBMFYSA-N 1 2 439.563 0.651 20 0 ICADLO O=C(c1sccc1S(=O)(=O)N1CCC(CO)CC1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001470886455 1069366459 /nfs/dbraw/zinc/36/64/59/1069366459.db2.gz IAPMQNGZAKHYNV-OAHLLOKOSA-N 1 2 439.563 0.651 20 0 ICADLO CCOc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cc1OCC ZINC001470890574 1069366433 /nfs/dbraw/zinc/36/64/33/1069366433.db2.gz ZARWRGXPGXFKTJ-INIZCTEOSA-N 1 2 437.522 0.659 20 0 ICADLO CCOc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cc1OCC ZINC001470890576 1069366521 /nfs/dbraw/zinc/36/65/21/1069366521.db2.gz ZARWRGXPGXFKTJ-MRXNPFEDSA-N 1 2 437.522 0.659 20 0 ICADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[NH2+][C@H](c4cn[nH]c4)C3)c2)CC1 ZINC001470890674 1069366362 /nfs/dbraw/zinc/36/63/62/1069366362.db2.gz ZYRBABUTMKUICK-IBGZPJMESA-N 1 2 446.533 0.049 20 0 ICADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[NH2+][C@@H](c4cn[nH]c4)C3)c2)CC1 ZINC001470890679 1069367195 /nfs/dbraw/zinc/36/71/95/1069367195.db2.gz ZYRBABUTMKUICK-LJQANCHMSA-N 1 2 446.533 0.049 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001470936367 1069371026 /nfs/dbraw/zinc/37/10/26/1069371026.db2.gz RDSBCDOEDSBVCG-MOPGFXCFSA-N 1 2 425.537 0.876 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001470936367 1069371019 /nfs/dbraw/zinc/37/10/19/1069371019.db2.gz RDSBCDOEDSBVCG-MOPGFXCFSA-N 1 2 425.537 0.876 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001470936379 1069370933 /nfs/dbraw/zinc/37/09/33/1069370933.db2.gz RDSBCDOEDSBVCG-OALUTQOASA-N 1 2 425.537 0.876 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001470936379 1069370930 /nfs/dbraw/zinc/37/09/30/1069370930.db2.gz RDSBCDOEDSBVCG-OALUTQOASA-N 1 2 425.537 0.876 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001470936384 1069370970 /nfs/dbraw/zinc/37/09/70/1069370970.db2.gz RDSBCDOEDSBVCG-RBUKOAKNSA-N 1 2 425.537 0.876 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001470936384 1069370963 /nfs/dbraw/zinc/37/09/63/1069370963.db2.gz RDSBCDOEDSBVCG-RBUKOAKNSA-N 1 2 425.537 0.876 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001470936389 1069370994 /nfs/dbraw/zinc/37/09/94/1069370994.db2.gz RDSBCDOEDSBVCG-RTBURBONSA-N 1 2 425.537 0.876 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)C1 ZINC001470936389 1069370991 /nfs/dbraw/zinc/37/09/91/1069370991.db2.gz RDSBCDOEDSBVCG-RTBURBONSA-N 1 2 425.537 0.876 20 0 ICADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC001470950129 1069371564 /nfs/dbraw/zinc/37/15/64/1069371564.db2.gz OGLCCNGNQUFUSE-UHFFFAOYSA-N 1 2 442.611 0.705 20 0 ICADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC3CN(S(=O)(=O)N(C)C)C3)CC2)c1 ZINC001470963910 1069371963 /nfs/dbraw/zinc/37/19/63/1069371963.db2.gz CRUQMMHHQYQWCO-HNNXBMFYSA-N 1 2 425.555 0.574 20 0 ICADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC3CN(S(=O)(=O)N(C)C)C3)CC2)c1 ZINC001470963912 1069372076 /nfs/dbraw/zinc/37/20/76/1069372076.db2.gz CRUQMMHHQYQWCO-OAHLLOKOSA-N 1 2 425.555 0.574 20 0 ICADLO COc1ccc(CCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC001470988776 1069375401 /nfs/dbraw/zinc/37/54/01/1069375401.db2.gz HKOJQYPDAFEXLN-UHFFFAOYSA-N 1 2 427.509 0.791 20 0 ICADLO COc1ccc(CCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC001470988776 1069375386 /nfs/dbraw/zinc/37/53/86/1069375386.db2.gz HKOJQYPDAFEXLN-UHFFFAOYSA-N 1 2 427.509 0.791 20 0 ICADLO CC(C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C(=O)N1CCCC1 ZINC001471030740 1069383053 /nfs/dbraw/zinc/38/30/53/1069383053.db2.gz VZNAWHVBENUMHX-UHFFFAOYSA-N 1 2 445.568 0.793 20 0 ICADLO CC(C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C(=O)N1CCCC1 ZINC001471030740 1069383043 /nfs/dbraw/zinc/38/30/43/1069383043.db2.gz VZNAWHVBENUMHX-UHFFFAOYSA-N 1 2 445.568 0.793 20 0 ICADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC001471047956 1069383733 /nfs/dbraw/zinc/38/37/33/1069383733.db2.gz FDAINDJCXJREOV-AWEZNQCLSA-N 1 2 446.533 0.238 20 0 ICADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC001471047957 1069383841 /nfs/dbraw/zinc/38/38/41/1069383841.db2.gz FDAINDJCXJREOV-CQSZACIVSA-N 1 2 446.533 0.238 20 0 ICADLO COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001471089099 1069388644 /nfs/dbraw/zinc/38/86/44/1069388644.db2.gz HLZOGKOMRGDEQG-MSOLQXFVSA-N 1 2 432.521 0.985 20 0 ICADLO COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001471089102 1069388506 /nfs/dbraw/zinc/38/85/06/1069388506.db2.gz HLZOGKOMRGDEQG-QZTJIDSGSA-N 1 2 432.521 0.985 20 0 ICADLO COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001471089106 1069388411 /nfs/dbraw/zinc/38/84/11/1069388411.db2.gz HLZOGKOMRGDEQG-ROUUACIJSA-N 1 2 432.521 0.985 20 0 ICADLO COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001471089110 1069388727 /nfs/dbraw/zinc/38/87/27/1069388727.db2.gz HLZOGKOMRGDEQG-ZWKOTPCHSA-N 1 2 432.521 0.985 20 0 ICADLO CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@]34COCCN3C(=O)COC4)CC2)cc1 ZINC001471098391 1069389660 /nfs/dbraw/zinc/38/96/60/1069389660.db2.gz GFSHUUVUCYFPKZ-JOCHJYFZSA-N 1 2 432.521 0.540 20 0 ICADLO CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2)cc1 ZINC001471098392 1069389832 /nfs/dbraw/zinc/38/98/32/1069389832.db2.gz GFSHUUVUCYFPKZ-QFIPXVFZSA-N 1 2 432.521 0.540 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCN(c4cnn(C)c4)C(=O)C3)C2)c1 ZINC001471100819 1069390199 /nfs/dbraw/zinc/39/01/99/1069390199.db2.gz IWRIVRWNASJSPG-FQEVSTJZSA-N 1 2 426.521 0.988 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCN(c4cnn(C)c4)C(=O)C3)C2)c1 ZINC001471100819 1069390183 /nfs/dbraw/zinc/39/01/83/1069390183.db2.gz IWRIVRWNASJSPG-FQEVSTJZSA-N 1 2 426.521 0.988 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCN(c4cnn(C)c4)C(=O)C3)C2)c1 ZINC001471100822 1069390362 /nfs/dbraw/zinc/39/03/62/1069390362.db2.gz IWRIVRWNASJSPG-HXUWFJFHSA-N 1 2 426.521 0.988 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCN(c4cnn(C)c4)C(=O)C3)C2)c1 ZINC001471100822 1069390350 /nfs/dbraw/zinc/39/03/50/1069390350.db2.gz IWRIVRWNASJSPG-HXUWFJFHSA-N 1 2 426.521 0.988 20 0 ICADLO COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)OC ZINC001471103334 1069391223 /nfs/dbraw/zinc/39/12/23/1069391223.db2.gz DPSOSTMVAGBPJR-GASCZTMLSA-N 1 2 427.498 0.396 20 0 ICADLO COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C[C@@H]1C(=O)OC ZINC001471103335 1069391041 /nfs/dbraw/zinc/39/10/41/1069391041.db2.gz DPSOSTMVAGBPJR-GJZGRUSLSA-N 1 2 427.498 0.396 20 0 ICADLO COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)OC ZINC001471103336 1069390825 /nfs/dbraw/zinc/39/08/25/1069390825.db2.gz DPSOSTMVAGBPJR-HUUCEWRRSA-N 1 2 427.498 0.396 20 0 ICADLO CC(C)NC(=O)CN1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC001471103955 1069390776 /nfs/dbraw/zinc/39/07/76/1069390776.db2.gz RYZCADXWRLLJKQ-UHFFFAOYSA-N 1 2 425.574 0.644 20 0 ICADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)CC1 ZINC001471104049 1069391205 /nfs/dbraw/zinc/39/12/05/1069391205.db2.gz UFCIUDCZJSOPHM-UHFFFAOYSA-N 1 2 445.582 0.782 20 0 ICADLO CCS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001471104438 1069391820 /nfs/dbraw/zinc/39/18/20/1069391820.db2.gz ZNUIPKNFZJVMAS-OAHLLOKOSA-N 1 2 432.587 0.858 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCc3nnc4c(=O)n(C)ccn34)C2)cc1 ZINC001471110099 1069391692 /nfs/dbraw/zinc/39/16/92/1069391692.db2.gz KKYRVMAXJYPSKW-KRWDZBQOSA-N 1 2 425.493 0.437 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCc3nnc4c(=O)n(C)ccn34)C2)cc1 ZINC001471110099 1069391675 /nfs/dbraw/zinc/39/16/75/1069391675.db2.gz KKYRVMAXJYPSKW-KRWDZBQOSA-N 1 2 425.493 0.437 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCc3nnc4c(=O)n(C)ccn34)C2)cc1 ZINC001471110100 1069391586 /nfs/dbraw/zinc/39/15/86/1069391586.db2.gz KKYRVMAXJYPSKW-QGZVFWFLSA-N 1 2 425.493 0.437 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCc3nnc4c(=O)n(C)ccn34)C2)cc1 ZINC001471110100 1069391570 /nfs/dbraw/zinc/39/15/70/1069391570.db2.gz KKYRVMAXJYPSKW-QGZVFWFLSA-N 1 2 425.493 0.437 20 0 ICADLO CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001471110427 1069391407 /nfs/dbraw/zinc/39/14/07/1069391407.db2.gz MPUPYZQANCUINT-NRFANRHFSA-N 1 2 445.564 0.576 20 0 ICADLO CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001471110427 1069391391 /nfs/dbraw/zinc/39/13/91/1069391391.db2.gz MPUPYZQANCUINT-NRFANRHFSA-N 1 2 445.564 0.576 20 0 ICADLO CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001471110433 1069391535 /nfs/dbraw/zinc/39/15/35/1069391535.db2.gz MPUPYZQANCUINT-OAQYLSRUSA-N 1 2 445.564 0.576 20 0 ICADLO CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CC1 ZINC001471110433 1069391518 /nfs/dbraw/zinc/39/15/18/1069391518.db2.gz MPUPYZQANCUINT-OAQYLSRUSA-N 1 2 445.564 0.576 20 0 ICADLO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001471141712 1069394162 /nfs/dbraw/zinc/39/41/62/1069394162.db2.gz VJSGGJRABGRKGU-KBXCAEBGSA-N 1 2 439.559 0.826 20 0 ICADLO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001471141716 1069394037 /nfs/dbraw/zinc/39/40/37/1069394037.db2.gz VJSGGJRABGRKGU-KDOFPFPSSA-N 1 2 439.559 0.826 20 0 ICADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001471141717 1069394488 /nfs/dbraw/zinc/39/44/88/1069394488.db2.gz VJSGGJRABGRKGU-KSSFIOAISA-N 1 2 439.559 0.826 20 0 ICADLO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001471141718 1069394818 /nfs/dbraw/zinc/39/48/18/1069394818.db2.gz VJSGGJRABGRKGU-RDTXWAMCSA-N 1 2 439.559 0.826 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001471181705 1069400115 /nfs/dbraw/zinc/40/01/15/1069400115.db2.gz IMQYHMOWQYPXPB-MOPGFXCFSA-N 1 2 428.599 0.392 20 0 ICADLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001471181706 1069400004 /nfs/dbraw/zinc/40/00/04/1069400004.db2.gz IMQYHMOWQYPXPB-OALUTQOASA-N 1 2 428.599 0.392 20 0 ICADLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001471181707 1069399583 /nfs/dbraw/zinc/39/95/83/1069399583.db2.gz IMQYHMOWQYPXPB-RBUKOAKNSA-N 1 2 428.599 0.392 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001471181708 1069400012 /nfs/dbraw/zinc/40/00/12/1069400012.db2.gz IMQYHMOWQYPXPB-RTBURBONSA-N 1 2 428.599 0.392 20 0 ICADLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)c2ccccc2C1 ZINC001471182241 1069399980 /nfs/dbraw/zinc/39/99/80/1069399980.db2.gz PELALHJIOJGPMX-IBGZPJMESA-N 1 2 436.578 0.782 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)c2ccccc2C1 ZINC001471182242 1069400060 /nfs/dbraw/zinc/40/00/60/1069400060.db2.gz PELALHJIOJGPMX-LJQANCHMSA-N 1 2 436.578 0.782 20 0 ICADLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001471183065 1069400550 /nfs/dbraw/zinc/40/05/50/1069400550.db2.gz VPQUDRYDFNDICN-IBGZPJMESA-N 1 2 442.626 0.926 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001471183066 1069400454 /nfs/dbraw/zinc/40/04/54/1069400454.db2.gz VPQUDRYDFNDICN-LJQANCHMSA-N 1 2 442.626 0.926 20 0 ICADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCc1nnc2n1CCNC2=O ZINC001471203626 1069402892 /nfs/dbraw/zinc/40/28/92/1069402892.db2.gz FKUUIAMLNOZCOZ-INIZCTEOSA-N 1 2 427.509 0.454 20 0 ICADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCc1nnc2n1CCNC2=O ZINC001471203627 1069403080 /nfs/dbraw/zinc/40/30/80/1069403080.db2.gz FKUUIAMLNOZCOZ-MRXNPFEDSA-N 1 2 427.509 0.454 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)c1 ZINC001471229026 1069404262 /nfs/dbraw/zinc/40/42/62/1069404262.db2.gz MFROIGZSMHQZIF-IBGZPJMESA-N 1 2 445.541 0.885 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)c1 ZINC001471229026 1069404257 /nfs/dbraw/zinc/40/42/57/1069404257.db2.gz MFROIGZSMHQZIF-IBGZPJMESA-N 1 2 445.541 0.885 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)c1 ZINC001471229027 1069404411 /nfs/dbraw/zinc/40/44/11/1069404411.db2.gz MFROIGZSMHQZIF-LJQANCHMSA-N 1 2 445.541 0.885 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)c1 ZINC001471229027 1069404410 /nfs/dbraw/zinc/40/44/10/1069404410.db2.gz MFROIGZSMHQZIF-LJQANCHMSA-N 1 2 445.541 0.885 20 0 ICADLO C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001471232892 1069404937 /nfs/dbraw/zinc/40/49/37/1069404937.db2.gz ATPQFVZWYZRSMQ-AEFFLSMTSA-N 1 2 437.562 0.491 20 0 ICADLO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001471232893 1069405079 /nfs/dbraw/zinc/40/50/79/1069405079.db2.gz ATPQFVZWYZRSMQ-FUHWJXTLSA-N 1 2 437.562 0.491 20 0 ICADLO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001471232895 1069404955 /nfs/dbraw/zinc/40/49/55/1069404955.db2.gz ATPQFVZWYZRSMQ-SJLPKXTDSA-N 1 2 437.562 0.491 20 0 ICADLO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001471232897 1069405033 /nfs/dbraw/zinc/40/50/33/1069405033.db2.gz ATPQFVZWYZRSMQ-WMZOPIPTSA-N 1 2 437.562 0.491 20 0 ICADLO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001471234631 1069405539 /nfs/dbraw/zinc/40/55/39/1069405539.db2.gz FDBIWARHBYYAHT-PBHICJAKSA-N 1 2 430.596 0.014 20 0 ICADLO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001471234633 1069405812 /nfs/dbraw/zinc/40/58/12/1069405812.db2.gz FDBIWARHBYYAHT-RHSMWYFYSA-N 1 2 430.596 0.014 20 0 ICADLO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001471234635 1069405709 /nfs/dbraw/zinc/40/57/09/1069405709.db2.gz FDBIWARHBYYAHT-WMLDXEAASA-N 1 2 430.596 0.014 20 0 ICADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001471234637 1069405726 /nfs/dbraw/zinc/40/57/26/1069405726.db2.gz FDBIWARHBYYAHT-YOEHRIQHSA-N 1 2 430.596 0.014 20 0 ICADLO C[NH+]1CCN(C2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC001471235477 1069405579 /nfs/dbraw/zinc/40/55/79/1069405579.db2.gz JTDVLSAAKPVWSK-JOCHJYFZSA-N 1 2 431.512 0.831 20 0 ICADLO C[NH+]1CCN(C2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC001471235480 1069405599 /nfs/dbraw/zinc/40/55/99/1069405599.db2.gz JTDVLSAAKPVWSK-QFIPXVFZSA-N 1 2 431.512 0.831 20 0 ICADLO C[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC2)CC1 ZINC001471236330 1069405666 /nfs/dbraw/zinc/40/56/66/1069405666.db2.gz RGXAFHZXIGINLC-RTWAWAEBSA-N 1 2 430.549 0.997 20 0 ICADLO C[C@H]1Cc2cc(CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc2O1 ZINC001471265081 1069408383 /nfs/dbraw/zinc/40/83/83/1069408383.db2.gz DPYZFOAMKJIODP-INIZCTEOSA-N 1 2 437.566 0.329 20 0 ICADLO C[C@@H]1Cc2cc(CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc2O1 ZINC001471265082 1069408335 /nfs/dbraw/zinc/40/83/35/1069408335.db2.gz DPYZFOAMKJIODP-MRXNPFEDSA-N 1 2 437.566 0.329 20 0 ICADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 ZINC001471304244 1069412356 /nfs/dbraw/zinc/41/23/56/1069412356.db2.gz OMHGAXDTJFKKJK-GOSISDBHSA-N 1 2 438.532 0.902 20 0 ICADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 ZINC001471304246 1069412477 /nfs/dbraw/zinc/41/24/77/1069412477.db2.gz OMHGAXDTJFKKJK-SFHVURJKSA-N 1 2 438.532 0.902 20 0 ICADLO O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001471333290 1069418557 /nfs/dbraw/zinc/41/85/57/1069418557.db2.gz GLWFVEMFXFMTKN-AVRDEDQJSA-N 1 2 447.495 0.943 20 0 ICADLO O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001471333290 1069418556 /nfs/dbraw/zinc/41/85/56/1069418556.db2.gz GLWFVEMFXFMTKN-AVRDEDQJSA-N 1 2 447.495 0.943 20 0 ICADLO O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001471333291 1069418497 /nfs/dbraw/zinc/41/84/97/1069418497.db2.gz GLWFVEMFXFMTKN-PGRDOPGGSA-N 1 2 447.495 0.943 20 0 ICADLO O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001471333291 1069418493 /nfs/dbraw/zinc/41/84/93/1069418493.db2.gz GLWFVEMFXFMTKN-PGRDOPGGSA-N 1 2 447.495 0.943 20 0 ICADLO O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001471334445 1069418527 /nfs/dbraw/zinc/41/85/27/1069418527.db2.gz UINOHWGIQYMQIH-LBPRGKRZSA-N 1 2 436.412 0.697 20 0 ICADLO O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001471334445 1069418525 /nfs/dbraw/zinc/41/85/25/1069418525.db2.gz UINOHWGIQYMQIH-LBPRGKRZSA-N 1 2 436.412 0.697 20 0 ICADLO COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)CCS2(=O)=O ZINC001471376010 1069423510 /nfs/dbraw/zinc/42/35/10/1069423510.db2.gz DNSGQCMZHFPIHZ-XYEKJYRLSA-N 1 2 444.579 0.903 20 0 ICADLO COC(=O)C1CC2(C1)C[C@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)CCS2(=O)=O ZINC001471376011 1069423341 /nfs/dbraw/zinc/42/33/41/1069423341.db2.gz DNSGQCMZHFPIHZ-YNAXMUEKSA-N 1 2 444.579 0.903 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001471377329 1069424211 /nfs/dbraw/zinc/42/42/11/1069424211.db2.gz BGWSNFBAMOMMDH-DLBZAZTESA-N 1 2 446.595 0.226 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC001471377329 1069424206 /nfs/dbraw/zinc/42/42/06/1069424206.db2.gz BGWSNFBAMOMMDH-DLBZAZTESA-N 1 2 446.595 0.226 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001471377330 1069424240 /nfs/dbraw/zinc/42/42/40/1069424240.db2.gz BGWSNFBAMOMMDH-IAGOWNOFSA-N 1 2 446.595 0.226 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001471377330 1069424237 /nfs/dbraw/zinc/42/42/37/1069424237.db2.gz BGWSNFBAMOMMDH-IAGOWNOFSA-N 1 2 446.595 0.226 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001471377331 1069424086 /nfs/dbraw/zinc/42/40/86/1069424086.db2.gz BGWSNFBAMOMMDH-IRXDYDNUSA-N 1 2 446.595 0.226 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC001471377331 1069424083 /nfs/dbraw/zinc/42/40/83/1069424083.db2.gz BGWSNFBAMOMMDH-IRXDYDNUSA-N 1 2 446.595 0.226 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001471377333 1069424169 /nfs/dbraw/zinc/42/41/69/1069424169.db2.gz BGWSNFBAMOMMDH-SJORKVTESA-N 1 2 446.595 0.226 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001471377333 1069424163 /nfs/dbraw/zinc/42/41/63/1069424163.db2.gz BGWSNFBAMOMMDH-SJORKVTESA-N 1 2 446.595 0.226 20 0 ICADLO O=C(CCC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001471389188 1069427634 /nfs/dbraw/zinc/42/76/34/1069427634.db2.gz GMXSQPXXFBPCRT-KRWDZBQOSA-N 1 2 429.521 0.000 20 0 ICADLO O=C(CCC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001471389189 1069427776 /nfs/dbraw/zinc/42/77/76/1069427776.db2.gz GMXSQPXXFBPCRT-QGZVFWFLSA-N 1 2 429.521 0.000 20 0 ICADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001471393195 1069428923 /nfs/dbraw/zinc/42/89/23/1069428923.db2.gz BCOKRXQXWXPCNG-IBGZPJMESA-N 1 2 439.582 0.459 20 0 ICADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001471393196 1069428960 /nfs/dbraw/zinc/42/89/60/1069428960.db2.gz BCOKRXQXWXPCNG-LJQANCHMSA-N 1 2 439.582 0.459 20 0 ICADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC001471395987 1069429745 /nfs/dbraw/zinc/42/97/45/1069429745.db2.gz RIDAIHKQSQZJTA-INIZCTEOSA-N 1 2 429.543 0.418 20 0 ICADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC001471395988 1069429832 /nfs/dbraw/zinc/42/98/32/1069429832.db2.gz RIDAIHKQSQZJTA-MRXNPFEDSA-N 1 2 429.543 0.418 20 0 ICADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471406949 1069430868 /nfs/dbraw/zinc/43/08/68/1069430868.db2.gz CDYGLTWXRAWHBA-GOSISDBHSA-N 1 2 446.552 0.679 20 0 ICADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471406950 1069430900 /nfs/dbraw/zinc/43/09/00/1069430900.db2.gz CDYGLTWXRAWHBA-SFHVURJKSA-N 1 2 446.552 0.679 20 0 ICADLO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC001471407166 1069430883 /nfs/dbraw/zinc/43/08/83/1069430883.db2.gz DEEBQJJYCOBFHP-UHFFFAOYSA-N 1 2 446.533 0.100 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[NH+](CCc3cnccn3)CC2)C(=O)C1 ZINC001471407530 1069430941 /nfs/dbraw/zinc/43/09/41/1069430941.db2.gz GSTXHXOBNKXUSZ-UHFFFAOYSA-N 1 2 432.525 0.243 20 0 ICADLO O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471407552 1069430831 /nfs/dbraw/zinc/43/08/31/1069430831.db2.gz HIYFOKWWPIKKNO-HNNXBMFYSA-N 1 2 435.575 0.765 20 0 ICADLO O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471407554 1069430909 /nfs/dbraw/zinc/43/09/09/1069430909.db2.gz HIYFOKWWPIKKNO-OAHLLOKOSA-N 1 2 435.575 0.765 20 0 ICADLO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471407786 1069430928 /nfs/dbraw/zinc/43/09/28/1069430928.db2.gz ITMBYCUIKSEWBZ-UHFFFAOYSA-N 1 2 434.500 0.235 20 0 ICADLO O=C(c1ccc(=O)[nH]n1)N1CCCC[C@@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471407836 1069430953 /nfs/dbraw/zinc/43/09/53/1069430953.db2.gz KCKQUSIJQMBWBD-GOSISDBHSA-N 1 2 425.493 0.354 20 0 ICADLO O=C(c1ccc(=O)[nH]n1)N1CCCC[C@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001471407837 1069430822 /nfs/dbraw/zinc/43/08/22/1069430822.db2.gz KCKQUSIJQMBWBD-SFHVURJKSA-N 1 2 425.493 0.354 20 0 ICADLO CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CC[NH+](CCc3cnccn3)CC2)C1=O ZINC001471408601 1069431477 /nfs/dbraw/zinc/43/14/77/1069431477.db2.gz SMDKSXMTZZVKID-GOSISDBHSA-N 1 2 431.537 0.744 20 0 ICADLO CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CC[NH+](CCc3cnccn3)CC2)C1=O ZINC001471408605 1069431300 /nfs/dbraw/zinc/43/13/00/1069431300.db2.gz SMDKSXMTZZVKID-SFHVURJKSA-N 1 2 431.537 0.744 20 0 ICADLO CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCCO1 ZINC001471408737 1069431337 /nfs/dbraw/zinc/43/13/37/1069431337.db2.gz BSMABZVJXNSVOI-INIZCTEOSA-N 1 2 428.530 0.760 20 0 ICADLO CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCCO1 ZINC001471408737 1069431333 /nfs/dbraw/zinc/43/13/33/1069431333.db2.gz BSMABZVJXNSVOI-INIZCTEOSA-N 1 2 428.530 0.760 20 0 ICADLO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCCO1 ZINC001471408739 1069431450 /nfs/dbraw/zinc/43/14/50/1069431450.db2.gz BSMABZVJXNSVOI-MRXNPFEDSA-N 1 2 428.530 0.760 20 0 ICADLO CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCCO1 ZINC001471408739 1069431442 /nfs/dbraw/zinc/43/14/42/1069431442.db2.gz BSMABZVJXNSVOI-MRXNPFEDSA-N 1 2 428.530 0.760 20 0 ICADLO CC1CCC(NC(=O)CN2CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)CC1 ZINC001471409025 1069431319 /nfs/dbraw/zinc/43/13/19/1069431319.db2.gz GLEQDJQYWWCFHY-UHFFFAOYSA-N 1 2 437.585 0.457 20 0 ICADLO CC1CCC(NC(=O)CN2CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)CC1 ZINC001471409025 1069431316 /nfs/dbraw/zinc/43/13/16/1069431316.db2.gz GLEQDJQYWWCFHY-UHFFFAOYSA-N 1 2 437.585 0.457 20 0 ICADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)NCc1cccc(OCCN2CCOCC2)c1 ZINC001471409320 1069431534 /nfs/dbraw/zinc/43/15/34/1069431534.db2.gz GWDGNLZOTYJVQS-UHFFFAOYSA-N 1 2 434.537 0.646 20 0 ICADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NCc1cccc(OCCN2CCOCC2)c1 ZINC001471409320 1069431527 /nfs/dbraw/zinc/43/15/27/1069431527.db2.gz GWDGNLZOTYJVQS-UHFFFAOYSA-N 1 2 434.537 0.646 20 0 ICADLO COc1cc(CN2CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)cc(OC)c1 ZINC001471409602 1069431365 /nfs/dbraw/zinc/43/13/65/1069431365.db2.gz JULUWEUEUFXRMB-UHFFFAOYSA-N 1 2 434.537 0.980 20 0 ICADLO COc1cc(CN2CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)cc(OC)c1 ZINC001471409602 1069431362 /nfs/dbraw/zinc/43/13/62/1069431362.db2.gz JULUWEUEUFXRMB-UHFFFAOYSA-N 1 2 434.537 0.980 20 0 ICADLO O=C(COc1ccc(F)cc1)N1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001471410439 1069432110 /nfs/dbraw/zinc/43/21/10/1069432110.db2.gz YQWMFKOXEGOWGQ-UHFFFAOYSA-N 1 2 436.484 0.507 20 0 ICADLO O=C(COc1ccc(F)cc1)N1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001471410439 1069432107 /nfs/dbraw/zinc/43/21/07/1069432107.db2.gz YQWMFKOXEGOWGQ-UHFFFAOYSA-N 1 2 436.484 0.507 20 0 ICADLO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)NCC[N@H+]3CCC4(C3)OCCO4)C2=O)c1 ZINC001471410475 1069432014 /nfs/dbraw/zinc/43/20/14/1069432014.db2.gz ZFZSJTUJDAAHEO-IBGZPJMESA-N 1 2 448.520 0.899 20 0 ICADLO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)C2=O)c1 ZINC001471410475 1069432008 /nfs/dbraw/zinc/43/20/08/1069432008.db2.gz ZFZSJTUJDAAHEO-IBGZPJMESA-N 1 2 448.520 0.899 20 0 ICADLO COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)NCC[N@H+]3CCC4(C3)OCCO4)C2=O)c1 ZINC001471410478 1069432052 /nfs/dbraw/zinc/43/20/52/1069432052.db2.gz ZFZSJTUJDAAHEO-LJQANCHMSA-N 1 2 448.520 0.899 20 0 ICADLO COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)C2=O)c1 ZINC001471410478 1069432045 /nfs/dbraw/zinc/43/20/45/1069432045.db2.gz ZFZSJTUJDAAHEO-LJQANCHMSA-N 1 2 448.520 0.899 20 0 ICADLO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001471448009 1069437689 /nfs/dbraw/zinc/43/76/89/1069437689.db2.gz MGUPSOGTQJUYIC-INIZCTEOSA-N 1 2 435.554 0.940 20 0 ICADLO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001471448009 1069437687 /nfs/dbraw/zinc/43/76/87/1069437687.db2.gz MGUPSOGTQJUYIC-INIZCTEOSA-N 1 2 435.554 0.940 20 0 ICADLO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001471448010 1069437722 /nfs/dbraw/zinc/43/77/22/1069437722.db2.gz MGUPSOGTQJUYIC-MRXNPFEDSA-N 1 2 435.554 0.940 20 0 ICADLO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001471448010 1069437718 /nfs/dbraw/zinc/43/77/18/1069437718.db2.gz MGUPSOGTQJUYIC-MRXNPFEDSA-N 1 2 435.554 0.940 20 0 ICADLO COc1cccc(F)c1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001471462362 1069441361 /nfs/dbraw/zinc/44/13/61/1069441361.db2.gz GBURSVYUKBVRAI-UHFFFAOYSA-N 1 2 429.518 0.154 20 0 ICADLO CN(CCCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1cccc[nH+]1 ZINC001471491333 1069444558 /nfs/dbraw/zinc/44/45/58/1069444558.db2.gz UUOKQQRFOYJAKP-HNNXBMFYSA-N 1 2 431.518 0.725 20 0 ICADLO CN(CCCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1cccc[nH+]1 ZINC001471491334 1069444488 /nfs/dbraw/zinc/44/44/88/1069444488.db2.gz UUOKQQRFOYJAKP-OAHLLOKOSA-N 1 2 431.518 0.725 20 0 ICADLO CN(CCCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)c1cccc[nH+]1 ZINC001471491342 1069444388 /nfs/dbraw/zinc/44/43/88/1069444388.db2.gz VIUOAGUPFODPRK-UHFFFAOYSA-N 1 2 433.534 0.822 20 0 ICADLO COC1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCCCC1 ZINC001471541272 1069454560 /nfs/dbraw/zinc/45/45/60/1069454560.db2.gz XRGDHRFJJWZDKJ-UHFFFAOYSA-N 1 2 431.603 0.545 20 0 ICADLO O=C(N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471548030 1069454377 /nfs/dbraw/zinc/45/43/77/1069454377.db2.gz SQVNFKZBFKUFKF-LMMKCTJWSA-N 1 2 443.466 0.818 20 0 ICADLO O=C(N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471548032 1069454484 /nfs/dbraw/zinc/45/44/84/1069454484.db2.gz SQVNFKZBFKUFKF-SCTDSRPQSA-N 1 2 443.466 0.818 20 0 ICADLO O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471548033 1069454335 /nfs/dbraw/zinc/45/43/35/1069454335.db2.gz SQVNFKZBFKUFKF-YQVWRLOYSA-N 1 2 443.466 0.818 20 0 ICADLO O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471548035 1069454458 /nfs/dbraw/zinc/45/44/58/1069454458.db2.gz SQVNFKZBFKUFKF-ZHALLVOQSA-N 1 2 443.466 0.818 20 0 ICADLO CN(c1cccc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1)S(C)(=O)=O ZINC001471553231 1069455126 /nfs/dbraw/zinc/45/51/26/1069455126.db2.gz FETTUIWEUVJUFN-FQEVSTJZSA-N 1 2 440.566 0.497 20 0 ICADLO CN(c1cccc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1)S(C)(=O)=O ZINC001471553231 1069455123 /nfs/dbraw/zinc/45/51/23/1069455123.db2.gz FETTUIWEUVJUFN-FQEVSTJZSA-N 1 2 440.566 0.497 20 0 ICADLO CN(c1cccc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1)S(C)(=O)=O ZINC001471553232 1069455165 /nfs/dbraw/zinc/45/51/65/1069455165.db2.gz FETTUIWEUVJUFN-HXUWFJFHSA-N 1 2 440.566 0.497 20 0 ICADLO CN(c1cccc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1)S(C)(=O)=O ZINC001471553232 1069455160 /nfs/dbraw/zinc/45/51/60/1069455160.db2.gz FETTUIWEUVJUFN-HXUWFJFHSA-N 1 2 440.566 0.497 20 0 ICADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CC2)cc1 ZINC001471563708 1069456217 /nfs/dbraw/zinc/45/62/17/1069456217.db2.gz ULKZALBKNLNOJR-UHFFFAOYSA-N 1 2 434.518 0.564 20 0 ICADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001471598838 1069459874 /nfs/dbraw/zinc/45/98/74/1069459874.db2.gz ARURWMPHSPYSGS-HKUYNNGSSA-N 1 2 444.646 0.457 20 0 ICADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001471598838 1069459869 /nfs/dbraw/zinc/45/98/69/1069459869.db2.gz ARURWMPHSPYSGS-HKUYNNGSSA-N 1 2 444.646 0.457 20 0 ICADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001471598843 1069459647 /nfs/dbraw/zinc/45/96/47/1069459647.db2.gz ARURWMPHSPYSGS-IEBWSBKVSA-N 1 2 444.646 0.457 20 0 ICADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001471598843 1069459646 /nfs/dbraw/zinc/45/96/46/1069459646.db2.gz ARURWMPHSPYSGS-IEBWSBKVSA-N 1 2 444.646 0.457 20 0 ICADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001471598845 1069459898 /nfs/dbraw/zinc/45/98/98/1069459898.db2.gz ARURWMPHSPYSGS-MJGOQNOKSA-N 1 2 444.646 0.457 20 0 ICADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001471598845 1069459895 /nfs/dbraw/zinc/45/98/95/1069459895.db2.gz ARURWMPHSPYSGS-MJGOQNOKSA-N 1 2 444.646 0.457 20 0 ICADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001471598847 1069459793 /nfs/dbraw/zinc/45/97/93/1069459793.db2.gz ARURWMPHSPYSGS-PKOBYXMFSA-N 1 2 444.646 0.457 20 0 ICADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001471598847 1069459783 /nfs/dbraw/zinc/45/97/83/1069459783.db2.gz ARURWMPHSPYSGS-PKOBYXMFSA-N 1 2 444.646 0.457 20 0 ICADLO C[C@@H](NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001471599627 1069459978 /nfs/dbraw/zinc/45/99/78/1069459978.db2.gz FKLQYLTUULCNGK-APWZRJJASA-N 1 2 426.569 0.674 20 0 ICADLO C[C@@H](NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001471599627 1069459975 /nfs/dbraw/zinc/45/99/75/1069459975.db2.gz FKLQYLTUULCNGK-APWZRJJASA-N 1 2 426.569 0.674 20 0 ICADLO C[C@H](NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001471599630 1069459923 /nfs/dbraw/zinc/45/99/23/1069459923.db2.gz FKLQYLTUULCNGK-LPHOPBHVSA-N 1 2 426.569 0.674 20 0 ICADLO C[C@H](NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001471599630 1069459922 /nfs/dbraw/zinc/45/99/22/1069459922.db2.gz FKLQYLTUULCNGK-LPHOPBHVSA-N 1 2 426.569 0.674 20 0 ICADLO C[C@H](NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001471599632 1069459840 /nfs/dbraw/zinc/45/98/40/1069459840.db2.gz FKLQYLTUULCNGK-QFBILLFUSA-N 1 2 426.569 0.674 20 0 ICADLO C[C@H](NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001471599632 1069459832 /nfs/dbraw/zinc/45/98/32/1069459832.db2.gz FKLQYLTUULCNGK-QFBILLFUSA-N 1 2 426.569 0.674 20 0 ICADLO C[C@@H](NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001471599634 1069459994 /nfs/dbraw/zinc/45/99/94/1069459994.db2.gz FKLQYLTUULCNGK-VQIMIIECSA-N 1 2 426.569 0.674 20 0 ICADLO C[C@@H](NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001471599634 1069459991 /nfs/dbraw/zinc/45/99/91/1069459991.db2.gz FKLQYLTUULCNGK-VQIMIIECSA-N 1 2 426.569 0.674 20 0 ICADLO CC(C)(C)OC(=O)NC(C)(C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471601478 1069460614 /nfs/dbraw/zinc/46/06/14/1069460614.db2.gz UAYUDBWHJNNIRT-INIZCTEOSA-N 1 2 426.558 0.977 20 0 ICADLO CC(C)(C)OC(=O)NC(C)(C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471601481 1069460477 /nfs/dbraw/zinc/46/04/77/1069460477.db2.gz UAYUDBWHJNNIRT-MRXNPFEDSA-N 1 2 426.558 0.977 20 0 ICADLO COc1cccc(C(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3CN(C)CC[N@H+]3C)CC2)c1OC ZINC001471601809 1069460601 /nfs/dbraw/zinc/46/06/01/1069460601.db2.gz NCTYEHUHOQCKAG-AEFFLSMTSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cccc(C(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3CN(C)CC[N@@H+]3C)CC2)c1OC ZINC001471601809 1069460596 /nfs/dbraw/zinc/46/05/96/1069460596.db2.gz NCTYEHUHOQCKAG-AEFFLSMTSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cccc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3CN(C)CC[N@H+]3C)CC2)c1OC ZINC001471601811 1069460734 /nfs/dbraw/zinc/46/07/34/1069460734.db2.gz NCTYEHUHOQCKAG-FUHWJXTLSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cccc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3CN(C)CC[N@@H+]3C)CC2)c1OC ZINC001471601811 1069460732 /nfs/dbraw/zinc/46/07/32/1069460732.db2.gz NCTYEHUHOQCKAG-FUHWJXTLSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cccc(C(=O)N2CCN(C(=O)N[C@H](C)[C@H]3CN(C)CC[N@H+]3C)CC2)c1OC ZINC001471601813 1069460527 /nfs/dbraw/zinc/46/05/27/1069460527.db2.gz NCTYEHUHOQCKAG-SJLPKXTDSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cccc(C(=O)N2CCN(C(=O)N[C@H](C)[C@H]3CN(C)CC[N@@H+]3C)CC2)c1OC ZINC001471601813 1069460520 /nfs/dbraw/zinc/46/05/20/1069460520.db2.gz NCTYEHUHOQCKAG-SJLPKXTDSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cccc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3CN(C)CC[N@H+]3C)CC2)c1OC ZINC001471601815 1069460702 /nfs/dbraw/zinc/46/07/02/1069460702.db2.gz NCTYEHUHOQCKAG-WMZOPIPTSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cccc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3CN(C)CC[N@@H+]3C)CC2)c1OC ZINC001471601815 1069460698 /nfs/dbraw/zinc/46/06/98/1069460698.db2.gz NCTYEHUHOQCKAG-WMZOPIPTSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3CN(C)CC[N@H+]3C)CC2)cc1OC ZINC001471602797 1069460680 /nfs/dbraw/zinc/46/06/80/1069460680.db2.gz SUOOJSSIRYBOPK-AEFFLSMTSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3CN(C)CC[N@@H+]3C)CC2)cc1OC ZINC001471602797 1069460679 /nfs/dbraw/zinc/46/06/79/1069460679.db2.gz SUOOJSSIRYBOPK-AEFFLSMTSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3CN(C)CC[N@H+]3C)CC2)cc1OC ZINC001471602799 1069460749 /nfs/dbraw/zinc/46/07/49/1069460749.db2.gz SUOOJSSIRYBOPK-FUHWJXTLSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3CN(C)CC[N@@H+]3C)CC2)cc1OC ZINC001471602799 1069460746 /nfs/dbraw/zinc/46/07/46/1069460746.db2.gz SUOOJSSIRYBOPK-FUHWJXTLSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)[C@H]3CN(C)CC[N@H+]3C)CC2)cc1OC ZINC001471602802 1069460760 /nfs/dbraw/zinc/46/07/60/1069460760.db2.gz SUOOJSSIRYBOPK-SJLPKXTDSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)[C@H]3CN(C)CC[N@@H+]3C)CC2)cc1OC ZINC001471602802 1069460759 /nfs/dbraw/zinc/46/07/59/1069460759.db2.gz SUOOJSSIRYBOPK-SJLPKXTDSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3CN(C)CC[N@H+]3C)CC2)cc1OC ZINC001471602805 1069460719 /nfs/dbraw/zinc/46/07/19/1069460719.db2.gz SUOOJSSIRYBOPK-WMZOPIPTSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3CN(C)CC[N@@H+]3C)CC2)cc1OC ZINC001471602805 1069460717 /nfs/dbraw/zinc/46/07/17/1069460717.db2.gz SUOOJSSIRYBOPK-WMZOPIPTSA-N 1 2 433.553 0.806 20 0 ICADLO C[C@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001471603111 1069460666 /nfs/dbraw/zinc/46/06/66/1069460666.db2.gz USVZZDUDRPRUMM-DOTOQJQBSA-N 1 2 433.582 0.218 20 0 ICADLO C[C@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001471603111 1069460665 /nfs/dbraw/zinc/46/06/65/1069460665.db2.gz USVZZDUDRPRUMM-DOTOQJQBSA-N 1 2 433.582 0.218 20 0 ICADLO C[C@@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001471603113 1069460570 /nfs/dbraw/zinc/46/05/70/1069460570.db2.gz USVZZDUDRPRUMM-NVXWUHKLSA-N 1 2 433.582 0.218 20 0 ICADLO C[C@@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001471603113 1069460565 /nfs/dbraw/zinc/46/05/65/1069460565.db2.gz USVZZDUDRPRUMM-NVXWUHKLSA-N 1 2 433.582 0.218 20 0 ICADLO C[C@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001471603116 1069460647 /nfs/dbraw/zinc/46/06/47/1069460647.db2.gz USVZZDUDRPRUMM-RDJZCZTQSA-N 1 2 433.582 0.218 20 0 ICADLO C[C@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001471603116 1069460642 /nfs/dbraw/zinc/46/06/42/1069460642.db2.gz USVZZDUDRPRUMM-RDJZCZTQSA-N 1 2 433.582 0.218 20 0 ICADLO C[C@@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001471603117 1069461226 /nfs/dbraw/zinc/46/12/26/1069461226.db2.gz USVZZDUDRPRUMM-WBVHZDCISA-N 1 2 433.582 0.218 20 0 ICADLO C[C@@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001471603117 1069461221 /nfs/dbraw/zinc/46/12/21/1069461221.db2.gz USVZZDUDRPRUMM-WBVHZDCISA-N 1 2 433.582 0.218 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3CN(C)CC[N@H+]3C)CC2)c(OC)c1 ZINC001471603147 1069461388 /nfs/dbraw/zinc/46/13/88/1069461388.db2.gz UXUANZCJRKNKMY-APWZRJJASA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3CN(C)CC[N@@H+]3C)CC2)c(OC)c1 ZINC001471603147 1069461385 /nfs/dbraw/zinc/46/13/85/1069461385.db2.gz UXUANZCJRKNKMY-APWZRJJASA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3CN(C)CC[N@H+]3C)CC2)c(OC)c1 ZINC001471603148 1069461307 /nfs/dbraw/zinc/46/13/07/1069461307.db2.gz UXUANZCJRKNKMY-LPHOPBHVSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3CN(C)CC[N@@H+]3C)CC2)c(OC)c1 ZINC001471603148 1069461302 /nfs/dbraw/zinc/46/13/02/1069461302.db2.gz UXUANZCJRKNKMY-LPHOPBHVSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3CN(C)CC[N@H+]3C)CC2)c(OC)c1 ZINC001471603151 1069461266 /nfs/dbraw/zinc/46/12/66/1069461266.db2.gz UXUANZCJRKNKMY-QFBILLFUSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3CN(C)CC[N@@H+]3C)CC2)c(OC)c1 ZINC001471603151 1069461262 /nfs/dbraw/zinc/46/12/62/1069461262.db2.gz UXUANZCJRKNKMY-QFBILLFUSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)[C@H]3CN(C)CC[N@H+]3C)CC2)c(OC)c1 ZINC001471603153 1069461343 /nfs/dbraw/zinc/46/13/43/1069461343.db2.gz UXUANZCJRKNKMY-VQIMIIECSA-N 1 2 433.553 0.806 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)[C@H]3CN(C)CC[N@@H+]3C)CC2)c(OC)c1 ZINC001471603153 1069461338 /nfs/dbraw/zinc/46/13/38/1069461338.db2.gz UXUANZCJRKNKMY-VQIMIIECSA-N 1 2 433.553 0.806 20 0 ICADLO C[C@H](NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)[C@@H]1CN(C)CC[N@H+]1C ZINC001471603546 1069461435 /nfs/dbraw/zinc/46/14/35/1069461435.db2.gz WKWIRMMQQXMQEW-BBRMVZONSA-N 1 2 431.534 0.128 20 0 ICADLO C[C@H](NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)[C@@H]1CN(C)CC[N@@H+]1C ZINC001471603546 1069461431 /nfs/dbraw/zinc/46/14/31/1069461431.db2.gz WKWIRMMQQXMQEW-BBRMVZONSA-N 1 2 431.534 0.128 20 0 ICADLO C[C@@H](NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)[C@@H]1CN(C)CC[N@H+]1C ZINC001471603551 1069461364 /nfs/dbraw/zinc/46/13/64/1069461364.db2.gz WKWIRMMQQXMQEW-CJNGLKHVSA-N 1 2 431.534 0.128 20 0 ICADLO C[C@@H](NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)[C@@H]1CN(C)CC[N@@H+]1C ZINC001471603551 1069461360 /nfs/dbraw/zinc/46/13/60/1069461360.db2.gz WKWIRMMQQXMQEW-CJNGLKHVSA-N 1 2 431.534 0.128 20 0 ICADLO C[C@@H](NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)[C@H]1CN(C)CC[N@H+]1C ZINC001471603553 1069461286 /nfs/dbraw/zinc/46/12/86/1069461286.db2.gz WKWIRMMQQXMQEW-CZUORRHYSA-N 1 2 431.534 0.128 20 0 ICADLO C[C@@H](NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)[C@H]1CN(C)CC[N@@H+]1C ZINC001471603553 1069461281 /nfs/dbraw/zinc/46/12/81/1069461281.db2.gz WKWIRMMQQXMQEW-CZUORRHYSA-N 1 2 431.534 0.128 20 0 ICADLO C[C@H](NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)[C@H]1CN(C)CC[N@H+]1C ZINC001471603555 1069461415 /nfs/dbraw/zinc/46/14/15/1069461415.db2.gz WKWIRMMQQXMQEW-XJKSGUPXSA-N 1 2 431.534 0.128 20 0 ICADLO C[C@H](NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)[C@H]1CN(C)CC[N@@H+]1C ZINC001471603555 1069461401 /nfs/dbraw/zinc/46/14/01/1069461401.db2.gz WKWIRMMQQXMQEW-XJKSGUPXSA-N 1 2 431.534 0.128 20 0 ICADLO COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001471610135 1069462009 /nfs/dbraw/zinc/46/20/09/1069462009.db2.gz SRFHIUXKDIRYGS-DLBZAZTESA-N 1 2 432.525 0.877 20 0 ICADLO COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001471610135 1069462007 /nfs/dbraw/zinc/46/20/07/1069462007.db2.gz SRFHIUXKDIRYGS-DLBZAZTESA-N 1 2 432.525 0.877 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001471616600 1069462552 /nfs/dbraw/zinc/46/25/52/1069462552.db2.gz IGVNTFMQHLIHET-AWEZNQCLSA-N 1 2 439.456 0.815 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001471616603 1069462579 /nfs/dbraw/zinc/46/25/79/1069462579.db2.gz IGVNTFMQHLIHET-CQSZACIVSA-N 1 2 439.456 0.815 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001471646181 1069465190 /nfs/dbraw/zinc/46/51/90/1069465190.db2.gz CSVBGGBQNCIOMJ-SFHVURJKSA-N 1 2 433.534 0.430 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001471646181 1069465180 /nfs/dbraw/zinc/46/51/80/1069465180.db2.gz CSVBGGBQNCIOMJ-SFHVURJKSA-N 1 2 433.534 0.430 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC001471646195 1069466007 /nfs/dbraw/zinc/46/60/07/1069466007.db2.gz CZDWDYJAHJVEQB-ZDUSSCGKSA-N 1 2 429.886 0.332 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC001471646195 1069465998 /nfs/dbraw/zinc/46/59/98/1069465998.db2.gz CZDWDYJAHJVEQB-ZDUSSCGKSA-N 1 2 429.886 0.332 20 0 ICADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)ccc1OC ZINC001471646669 1069466050 /nfs/dbraw/zinc/46/60/50/1069466050.db2.gz OZWRZHZXJXXBKB-HNNXBMFYSA-N 1 2 437.522 0.536 20 0 ICADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)ccc1OC ZINC001471646669 1069466040 /nfs/dbraw/zinc/46/60/40/1069466040.db2.gz OZWRZHZXJXXBKB-HNNXBMFYSA-N 1 2 437.522 0.536 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001471646841 1069466181 /nfs/dbraw/zinc/46/61/81/1069466181.db2.gz RYGQOEMYIGXZOK-DEYYWGMASA-N 1 2 449.533 0.295 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001471646841 1069466175 /nfs/dbraw/zinc/46/61/75/1069466175.db2.gz RYGQOEMYIGXZOK-DEYYWGMASA-N 1 2 449.533 0.295 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001471646842 1069466121 /nfs/dbraw/zinc/46/61/21/1069466121.db2.gz RYGQOEMYIGXZOK-IYOUNJFTSA-N 1 2 449.533 0.295 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001471646842 1069466117 /nfs/dbraw/zinc/46/61/17/1069466117.db2.gz RYGQOEMYIGXZOK-IYOUNJFTSA-N 1 2 449.533 0.295 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001471646843 1069465976 /nfs/dbraw/zinc/46/59/76/1069465976.db2.gz RYGQOEMYIGXZOK-LBTNJELSSA-N 1 2 449.533 0.295 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001471646843 1069465971 /nfs/dbraw/zinc/46/59/71/1069465971.db2.gz RYGQOEMYIGXZOK-LBTNJELSSA-N 1 2 449.533 0.295 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001471647240 1069466092 /nfs/dbraw/zinc/46/60/92/1069466092.db2.gz MUIONIVWISGEHT-NWDGAFQWSA-N 1 2 445.954 0.751 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001471647240 1069466082 /nfs/dbraw/zinc/46/60/82/1069466082.db2.gz MUIONIVWISGEHT-NWDGAFQWSA-N 1 2 445.954 0.751 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001471647241 1069466216 /nfs/dbraw/zinc/46/62/16/1069466216.db2.gz MUIONIVWISGEHT-RYUDHWBXSA-N 1 2 445.954 0.751 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001471647241 1069466211 /nfs/dbraw/zinc/46/62/11/1069466211.db2.gz MUIONIVWISGEHT-RYUDHWBXSA-N 1 2 445.954 0.751 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC001471647273 1069466196 /nfs/dbraw/zinc/46/61/96/1069466196.db2.gz NRQIZCXSTCKZNA-ZDUSSCGKSA-N 1 2 433.412 0.887 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC001471647273 1069466192 /nfs/dbraw/zinc/46/61/92/1069466192.db2.gz NRQIZCXSTCKZNA-ZDUSSCGKSA-N 1 2 433.412 0.887 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001471720697 1069477891 /nfs/dbraw/zinc/47/78/91/1069477891.db2.gz GKPJVMOSEZFTEB-HNNXBMFYSA-N 1 2 426.539 0.011 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001471720697 1069477888 /nfs/dbraw/zinc/47/78/88/1069477888.db2.gz GKPJVMOSEZFTEB-HNNXBMFYSA-N 1 2 426.539 0.011 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001471720698 1069477834 /nfs/dbraw/zinc/47/78/34/1069477834.db2.gz GKPJVMOSEZFTEB-OAHLLOKOSA-N 1 2 426.539 0.011 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001471720698 1069477829 /nfs/dbraw/zinc/47/78/29/1069477829.db2.gz GKPJVMOSEZFTEB-OAHLLOKOSA-N 1 2 426.539 0.011 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001471720714 1069477916 /nfs/dbraw/zinc/47/79/16/1069477916.db2.gz GTBAAZMRZQSWJN-GOSISDBHSA-N 1 2 425.551 0.857 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001471720714 1069477913 /nfs/dbraw/zinc/47/79/13/1069477913.db2.gz GTBAAZMRZQSWJN-GOSISDBHSA-N 1 2 425.551 0.857 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001471720715 1069477853 /nfs/dbraw/zinc/47/78/53/1069477853.db2.gz GTBAAZMRZQSWJN-SFHVURJKSA-N 1 2 425.551 0.857 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001471720715 1069477849 /nfs/dbraw/zinc/47/78/49/1069477849.db2.gz GTBAAZMRZQSWJN-SFHVURJKSA-N 1 2 425.551 0.857 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC001471721110 1069477812 /nfs/dbraw/zinc/47/78/12/1069477812.db2.gz MWNNEDDIPWQORT-KRWDZBQOSA-N 1 2 426.539 0.493 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC001471721110 1069477808 /nfs/dbraw/zinc/47/78/08/1069477808.db2.gz MWNNEDDIPWQORT-KRWDZBQOSA-N 1 2 426.539 0.493 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC001471721111 1069477878 /nfs/dbraw/zinc/47/78/78/1069477878.db2.gz MWNNEDDIPWQORT-QGZVFWFLSA-N 1 2 426.539 0.493 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC001471721111 1069477874 /nfs/dbraw/zinc/47/78/74/1069477874.db2.gz MWNNEDDIPWQORT-QGZVFWFLSA-N 1 2 426.539 0.493 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC001471722041 1069478626 /nfs/dbraw/zinc/47/86/26/1069478626.db2.gz WZONVCPOFHZLQJ-MSOLQXFVSA-N 1 2 425.551 0.985 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC001471722041 1069478622 /nfs/dbraw/zinc/47/86/22/1069478622.db2.gz WZONVCPOFHZLQJ-MSOLQXFVSA-N 1 2 425.551 0.985 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC001471722042 1069478584 /nfs/dbraw/zinc/47/85/84/1069478584.db2.gz WZONVCPOFHZLQJ-QZTJIDSGSA-N 1 2 425.551 0.985 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC001471722042 1069478580 /nfs/dbraw/zinc/47/85/80/1069478580.db2.gz WZONVCPOFHZLQJ-QZTJIDSGSA-N 1 2 425.551 0.985 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC001471722043 1069478499 /nfs/dbraw/zinc/47/84/99/1069478499.db2.gz WZONVCPOFHZLQJ-ROUUACIJSA-N 1 2 425.551 0.985 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC001471722043 1069478493 /nfs/dbraw/zinc/47/84/93/1069478493.db2.gz WZONVCPOFHZLQJ-ROUUACIJSA-N 1 2 425.551 0.985 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC001471722045 1069478549 /nfs/dbraw/zinc/47/85/49/1069478549.db2.gz WZONVCPOFHZLQJ-ZWKOTPCHSA-N 1 2 425.551 0.985 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC001471722045 1069478546 /nfs/dbraw/zinc/47/85/46/1069478546.db2.gz WZONVCPOFHZLQJ-ZWKOTPCHSA-N 1 2 425.551 0.985 20 0 ICADLO C[C@]12CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001471723358 1069479032 /nfs/dbraw/zinc/47/90/32/1069479032.db2.gz DSFSFKQTOOGVPA-OYRHEFFESA-N 1 2 434.562 0.794 20 0 ICADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001471776944 1069487807 /nfs/dbraw/zinc/48/78/07/1069487807.db2.gz FMOKZOKIEWYPIR-GDBMZVCRSA-N 1 2 426.539 0.986 20 0 ICADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001471776945 1069487691 /nfs/dbraw/zinc/48/76/91/1069487691.db2.gz FMOKZOKIEWYPIR-GOEBONIOSA-N 1 2 426.539 0.986 20 0 ICADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001471776946 1069487635 /nfs/dbraw/zinc/48/76/35/1069487635.db2.gz FMOKZOKIEWYPIR-HOCLYGCPSA-N 1 2 426.539 0.986 20 0 ICADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001471776947 1069488440 /nfs/dbraw/zinc/48/84/40/1069488440.db2.gz FMOKZOKIEWYPIR-ZBFHGGJFSA-N 1 2 426.539 0.986 20 0 ICADLO Cn1cc[nH+]c1CCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001471783796 1069488967 /nfs/dbraw/zinc/48/89/67/1069488967.db2.gz FEQYMAWMMMBBDO-ILXRZTDVSA-N 1 2 426.539 0.749 20 0 ICADLO Cn1cc[nH+]c1CCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001471783797 1069488858 /nfs/dbraw/zinc/48/88/58/1069488858.db2.gz FEQYMAWMMMBBDO-KFWWJZLASA-N 1 2 426.539 0.749 20 0 ICADLO Cn1cc[nH+]c1CCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001471783798 1069488954 /nfs/dbraw/zinc/48/89/54/1069488954.db2.gz FEQYMAWMMMBBDO-QLFBSQMISA-N 1 2 426.539 0.749 20 0 ICADLO Cn1cc[nH+]c1CCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001471783799 1069488767 /nfs/dbraw/zinc/48/87/67/1069488767.db2.gz FEQYMAWMMMBBDO-RBSFLKMASA-N 1 2 426.539 0.749 20 0 ICADLO Cn1cc[nH+]c1CCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl ZINC001471783936 1069489543 /nfs/dbraw/zinc/48/95/43/1069489543.db2.gz LOAKDSGTRDNHAA-HNNXBMFYSA-N 1 2 426.926 0.966 20 0 ICADLO Cn1cc[nH+]c1CCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl ZINC001471783937 1069489624 /nfs/dbraw/zinc/48/96/24/1069489624.db2.gz LOAKDSGTRDNHAA-OAHLLOKOSA-N 1 2 426.926 0.966 20 0 ICADLO 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1069601815 /nfs/dbraw/zinc/60/18/15/1069601815.db2.gz SFYKKALHZCWXMW-JTDSTZFVSA-N 1 2 425.551 0.863 20 0 ICADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001473556945 1069601810 /nfs/dbraw/zinc/60/18/10/1069601810.db2.gz SFYKKALHZCWXMW-JTDSTZFVSA-N 1 2 425.551 0.863 20 0 ICADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001473556946 1069601955 /nfs/dbraw/zinc/60/19/55/1069601955.db2.gz SFYKKALHZCWXMW-MDZRGWNJSA-N 1 2 425.551 0.863 20 0 ICADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001473556946 1069601950 /nfs/dbraw/zinc/60/19/50/1069601950.db2.gz SFYKKALHZCWXMW-MDZRGWNJSA-N 1 2 425.551 0.863 20 0 ICADLO C[C@H](NC(=O)C[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1)C(=O)N1CCCCC1 ZINC001473565953 1069603501 /nfs/dbraw/zinc/60/35/01/1069603501.db2.gz VUTCFOWGOSPPBV-INIZCTEOSA-N 1 2 426.558 0.855 20 0 ICADLO C[C@@H](NC(=O)C[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1)C(=O)N1CCCCC1 ZINC001473565954 1069603378 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1 2 426.539 0.491 20 0 ICADLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001473585490 1069605832 /nfs/dbraw/zinc/60/58/32/1069605832.db2.gz BLJPNGQJFLMEPV-GJZGRUSLSA-N 1 2 426.539 0.491 20 0 ICADLO CC(=O)NCC[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001473585491 1069605755 /nfs/dbraw/zinc/60/57/55/1069605755.db2.gz BLJPNGQJFLMEPV-HUUCEWRRSA-N 1 2 426.539 0.491 20 0 ICADLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001473585491 1069605745 /nfs/dbraw/zinc/60/57/45/1069605745.db2.gz BLJPNGQJFLMEPV-HUUCEWRRSA-N 1 2 426.539 0.491 20 0 ICADLO CNC(=O)c1cc(O[C@H]2CCC[N@H+](CC(=O)N[C@@H](C(=O)NC)c3ccccc3)C2)ccn1 ZINC001473602786 1069607838 /nfs/dbraw/zinc/60/78/38/1069607838.db2.gz UVWVGFYFNZGBQG-GHTZIAJQSA-N 1 2 439.516 0.888 20 0 ICADLO CNC(=O)c1cc(O[C@H]2CCC[N@@H+](CC(=O)N[C@@H](C(=O)NC)c3ccccc3)C2)ccn1 ZINC001473602786 1069607830 /nfs/dbraw/zinc/60/78/30/1069607830.db2.gz UVWVGFYFNZGBQG-GHTZIAJQSA-N 1 2 439.516 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C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)c1nnnn1C ZINC001473860758 1069643595 /nfs/dbraw/zinc/64/35/95/1069643595.db2.gz DRFXGINSSMTBGY-NSHDSACASA-N 1 2 445.908 0.186 20 0 ICADLO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@@](C)(Cn3cccn3)C(N)=O)nc2c1 ZINC001473872018 1069644894 /nfs/dbraw/zinc/64/48/94/1069644894.db2.gz DPFPFXUPECHRKT-IBGZPJMESA-N 1 2 433.538 0.824 20 0 ICADLO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@](C)(Cn3cccn3)C(N)=O)nc2c1 ZINC001473872019 1069644834 /nfs/dbraw/zinc/64/48/34/1069644834.db2.gz DPFPFXUPECHRKT-LJQANCHMSA-N 1 2 433.538 0.824 20 0 ICADLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3cn(C)nn3)C2)cc1S(=O)(=O)N(C)C ZINC001473875808 1069645022 /nfs/dbraw/zinc/64/50/22/1069645022.db2.gz AERSELSCTCFMBE-AWEZNQCLSA-N 1 2 436.538 0.892 20 0 ICADLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3cn(C)nn3)C2)cc1S(=O)(=O)N(C)C ZINC001473875808 1069645016 /nfs/dbraw/zinc/64/50/16/1069645016.db2.gz AERSELSCTCFMBE-AWEZNQCLSA-N 1 2 436.538 0.892 20 0 ICADLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3cn(C)nn3)C2)cc1S(=O)(=O)N(C)C ZINC001473875809 1069645585 /nfs/dbraw/zinc/64/55/85/1069645585.db2.gz AERSELSCTCFMBE-CQSZACIVSA-N 1 2 436.538 0.892 20 0 ICADLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3cn(C)nn3)C2)cc1S(=O)(=O)N(C)C ZINC001473875809 1069645581 /nfs/dbraw/zinc/64/55/81/1069645581.db2.gz AERSELSCTCFMBE-CQSZACIVSA-N 1 2 436.538 0.892 20 0 ICADLO Cn1cc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)nn1 ZINC001473876197 1069645674 /nfs/dbraw/zinc/64/56/74/1069645674.db2.gz JOCQOKBCPUVTFC-INIZCTEOSA-N 1 2 448.549 0.654 20 0 ICADLO Cn1cc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)nn1 ZINC001473876197 1069645670 /nfs/dbraw/zinc/64/56/70/1069645670.db2.gz JOCQOKBCPUVTFC-INIZCTEOSA-N 1 2 448.549 0.654 20 0 ICADLO Cn1cc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)nn1 ZINC001473876198 1069645471 /nfs/dbraw/zinc/64/54/71/1069645471.db2.gz JOCQOKBCPUVTFC-MRXNPFEDSA-N 1 2 448.549 0.654 20 0 ICADLO Cn1cc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)nn1 ZINC001473876198 1069645465 /nfs/dbraw/zinc/64/54/65/1069645465.db2.gz JOCQOKBCPUVTFC-MRXNPFEDSA-N 1 2 448.549 0.654 20 0 ICADLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001473882332 1069645718 /nfs/dbraw/zinc/64/57/18/1069645718.db2.gz IHNPOGMWQYEJDP-GFCCVEGCSA-N 1 2 437.463 1.000 20 0 ICADLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001473882333 1069646445 /nfs/dbraw/zinc/64/64/45/1069646445.db2.gz IHNPOGMWQYEJDP-LBPRGKRZSA-N 1 2 437.463 1.000 20 0 ICADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1c1cnccn1 ZINC001473900971 1069647109 /nfs/dbraw/zinc/64/71/09/1069647109.db2.gz FNLWRLBFANIUGM-GOSISDBHSA-N 1 2 444.561 0.520 20 0 ICADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1c1cnccn1 ZINC001473900971 1069647099 /nfs/dbraw/zinc/64/70/99/1069647099.db2.gz FNLWRLBFANIUGM-GOSISDBHSA-N 1 2 444.561 0.520 20 0 ICADLO C[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1c1cnccn1 ZINC001473900989 1069647830 /nfs/dbraw/zinc/64/78/30/1069647830.db2.gz FNLWRLBFANIUGM-SFHVURJKSA-N 1 2 444.561 0.520 20 0 ICADLO C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1c1cnccn1 ZINC001473900989 1069647818 /nfs/dbraw/zinc/64/78/18/1069647818.db2.gz FNLWRLBFANIUGM-SFHVURJKSA-N 1 2 444.561 0.520 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001473910169 1069647883 /nfs/dbraw/zinc/64/78/83/1069647883.db2.gz OFJJUBWPYVZJLF-INIZCTEOSA-N 1 2 445.582 0.470 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001473910169 1069647877 /nfs/dbraw/zinc/64/78/77/1069647877.db2.gz OFJJUBWPYVZJLF-INIZCTEOSA-N 1 2 445.582 0.470 20 0 ICADLO CC(C)(C[NH2+]Cc1cn(CC(N)=O)nn1)S(=O)(=O)c1ccc(Br)cc1 ZINC001474005006 1069647949 /nfs/dbraw/zinc/64/79/49/1069647949.db2.gz KADUFNHBVKYSLU-UHFFFAOYSA-N 1 2 430.328 0.868 20 0 ICADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC001474335604 1069650145 /nfs/dbraw/zinc/65/01/45/1069650145.db2.gz ZCIDYQAZHLGKSR-AWEZNQCLSA-N 1 2 432.974 0.646 20 0 ICADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC001474335605 1069650045 /nfs/dbraw/zinc/65/00/45/1069650045.db2.gz ZCIDYQAZHLGKSR-CQSZACIVSA-N 1 2 432.974 0.646 20 0 ICADLO COc1ccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1Cn1cccn1 ZINC001474336685 1069650080 /nfs/dbraw/zinc/65/00/80/1069650080.db2.gz CNHXYCUFYZLPBU-UHFFFAOYSA-N 1 2 448.593 0.550 20 0 ICADLO COc1cc(Cl)c(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OC ZINC001474337544 1069649998 /nfs/dbraw/zinc/64/99/98/1069649998.db2.gz SHMZXSHDLDCNPC-UHFFFAOYSA-N 1 2 432.974 0.967 20 0 ICADLO CCc1ncc(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)n1S(=O)(=O)N(C)C ZINC001474356712 1069650095 /nfs/dbraw/zinc/65/00/95/1069650095.db2.gz RIHZOLTWIIWKDX-KRWDZBQOSA-N 1 2 440.614 0.619 20 0 ICADLO CCc1ncc(CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)n1S(=O)(=O)N(C)C ZINC001474356713 1069650129 /nfs/dbraw/zinc/65/01/29/1069650129.db2.gz RIHZOLTWIIWKDX-QGZVFWFLSA-N 1 2 440.614 0.619 20 0 ICADLO COc1ccc(C(=O)NCC[NH+]2CCN(Cc3cccc(S(N)(=O)=O)c3)CC2)cc1 ZINC001474387173 1069650694 /nfs/dbraw/zinc/65/06/94/1069650694.db2.gz SHSFCWWEVPDWHW-UHFFFAOYSA-N 1 2 432.546 0.890 20 0 ICADLO Cc1cc[nH+]c(N)c1CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001474407433 1069651260 /nfs/dbraw/zinc/65/12/60/1069651260.db2.gz WWDXJUDGCGUBMJ-UHFFFAOYSA-N 1 2 425.536 0.126 20 0 ICADLO CS(=O)(=O)N=S1(=O)CCN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001474536999 1069652006 /nfs/dbraw/zinc/65/20/06/1069652006.db2.gz BUWGQEFSAJZHIJ-UHFFFAOYSA-N 1 2 431.580 0.641 20 0 ICADLO CNC(=O)[C@H](C[NH2+]Cc1nccn1S(=O)(=O)N(C)C)Cc1ccc(OC)c(F)c1 ZINC001474597801 1069652125 /nfs/dbraw/zinc/65/21/25/1069652125.db2.gz QDQSCXIHCXKZQE-AWEZNQCLSA-N 1 2 427.502 0.380 20 0 ICADLO CNC(=O)[C@@H](C[NH2+]Cc1nccn1S(=O)(=O)N(C)C)Cc1ccc(OC)c(F)c1 ZINC001474597802 1069652044 /nfs/dbraw/zinc/65/20/44/1069652044.db2.gz QDQSCXIHCXKZQE-CQSZACIVSA-N 1 2 427.502 0.380 20 0 ICADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001474646074 1069652746 /nfs/dbraw/zinc/65/27/46/1069652746.db2.gz AIKBHQRCWVANNW-HKUYNNGSSA-N 1 2 446.504 0.065 20 0 ICADLO COC(=O)[C@@]1(C[NH2+]Cc2c(I)cnn2C)C[C@@H]1S(C)(=O)=O ZINC001474692052 1069653420 /nfs/dbraw/zinc/65/34/20/1069653420.db2.gz XBARPTIWJOZSOE-CMPLNLGQSA-N 1 2 427.264 0.091 20 0 ICADLO CN1C(=O)Cc2cc(S(=O)(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)ccc21 ZINC001474791593 1069656804 /nfs/dbraw/zinc/65/68/04/1069656804.db2.gz KDIWJMBHRFROFH-UHFFFAOYSA-N 1 2 430.534 0.486 20 0 ICADLO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001474791641 1069656734 /nfs/dbraw/zinc/65/67/34/1069656734.db2.gz MCNALQJOLWJMMG-UHFFFAOYSA-N 1 2 433.460 0.720 20 0 ICADLO Cn1cc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c(Br)n1 ZINC001474791841 1069656868 /nfs/dbraw/zinc/65/68/68/1069656868.db2.gz OAPMCOMYGUXNPA-UHFFFAOYSA-N 1 2 444.359 0.463 20 0 ICADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cn1C ZINC001474797904 1069658128 /nfs/dbraw/zinc/65/81/28/1069658128.db2.gz OOEOJQPHTMJTOA-HNNXBMFYSA-N 1 2 435.568 0.331 20 0 ICADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cn1C ZINC001474797905 1069658838 /nfs/dbraw/zinc/65/88/38/1069658838.db2.gz OOEOJQPHTMJTOA-OAHLLOKOSA-N 1 2 435.568 0.331 20 0 ICADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC001474798279 1069658819 /nfs/dbraw/zinc/65/88/19/1069658819.db2.gz UOBRELJRTROLAT-GFCCVEGCSA-N 1 2 446.517 0.959 20 0 ICADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC001474798280 1069658954 /nfs/dbraw/zinc/65/89/54/1069658954.db2.gz UOBRELJRTROLAT-LBPRGKRZSA-N 1 2 446.517 0.959 20 0 ICADLO O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001474801119 1069659451 /nfs/dbraw/zinc/65/94/51/1069659451.db2.gz VIKJPCLZEGOQGJ-MOPGFXCFSA-N 1 2 449.639 0.014 20 0 ICADLO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001474801119 1069659445 /nfs/dbraw/zinc/65/94/45/1069659445.db2.gz VIKJPCLZEGOQGJ-MOPGFXCFSA-N 1 2 449.639 0.014 20 0 ICADLO CC(C)[C@@H](CNS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[NH+]1CCOCC1 ZINC001474809681 1069660199 /nfs/dbraw/zinc/66/01/99/1069660199.db2.gz ROMRCNYTICVQBM-DLBZAZTESA-N 1 2 435.587 0.899 20 0 ICADLO CC(C)[C@@H](CNS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[NH+]1CCOCC1 ZINC001474809682 1069660807 /nfs/dbraw/zinc/66/08/07/1069660807.db2.gz ROMRCNYTICVQBM-IAGOWNOFSA-N 1 2 435.587 0.899 20 0 ICADLO CC(C)[C@H](CNS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[NH+]1CCOCC1 ZINC001474809683 1069660866 /nfs/dbraw/zinc/66/08/66/1069660866.db2.gz ROMRCNYTICVQBM-IRXDYDNUSA-N 1 2 435.587 0.899 20 0 ICADLO CC(C)[C@H](CNS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[NH+]1CCOCC1 ZINC001474809684 1069660886 /nfs/dbraw/zinc/66/08/86/1069660886.db2.gz ROMRCNYTICVQBM-SJORKVTESA-N 1 2 435.587 0.899 20 0 ICADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC001474822554 1069664107 /nfs/dbraw/zinc/66/41/07/1069664107.db2.gz KBQHCRIQYJRUAM-INIZCTEOSA-N 1 2 448.586 0.149 20 0 ICADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC001474822555 1069664044 /nfs/dbraw/zinc/66/40/44/1069664044.db2.gz KBQHCRIQYJRUAM-MRXNPFEDSA-N 1 2 448.586 0.149 20 0 ICADLO Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(F)c1F ZINC001474824240 1069664645 /nfs/dbraw/zinc/66/46/45/1069664645.db2.gz BXZQFSAGJMGERC-UHFFFAOYSA-N 1 2 438.522 0.072 20 0 ICADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)N(C)C)ccc2OC)CC1 ZINC001474829581 1069666038 /nfs/dbraw/zinc/66/60/38/1069666038.db2.gz BLNLYJVTSLPJQN-UHFFFAOYSA-N 1 2 440.566 0.666 20 0 ICADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001474830314 1069665959 /nfs/dbraw/zinc/66/59/59/1069665959.db2.gz JNZBUXGNYLVITN-INIZCTEOSA-N 1 2 432.587 0.618 20 0 ICADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC001474830924 1069665999 /nfs/dbraw/zinc/66/59/99/1069665999.db2.gz UQYSACGSVPHLOK-GOSISDBHSA-N 1 2 431.599 0.872 20 0 ICADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC001474830925 1069665916 /nfs/dbraw/zinc/66/59/16/1069665916.db2.gz UQYSACGSVPHLOK-SFHVURJKSA-N 1 2 431.599 0.872 20 0 ICADLO O=S(=O)(CC[C@@H]1CCCCO1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001474837917 1069667155 /nfs/dbraw/zinc/66/71/55/1069667155.db2.gz SQWUKLYMAFSYCC-KRWDZBQOSA-N 1 2 446.595 0.412 20 0 ICADLO O=S(=O)(CC[C@H]1CCCCO1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001474837918 1069667230 /nfs/dbraw/zinc/66/72/30/1069667230.db2.gz SQWUKLYMAFSYCC-QGZVFWFLSA-N 1 2 446.595 0.412 20 0 ICADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)C1 ZINC001474844155 1069667812 /nfs/dbraw/zinc/66/78/12/1069667812.db2.gz XKWPKZVYTFMUNL-UHFFFAOYSA-N 1 2 448.589 0.799 20 0 ICADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)C1 ZINC001474844155 1069667805 /nfs/dbraw/zinc/66/78/05/1069667805.db2.gz XKWPKZVYTFMUNL-UHFFFAOYSA-N 1 2 448.589 0.799 20 0 ICADLO Cc1nn(CCS(=O)(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c(=O)o1 ZINC001474879270 1069671042 /nfs/dbraw/zinc/67/10/42/1069671042.db2.gz QNTBDCNBMFBIGX-UHFFFAOYSA-N 1 2 443.957 0.930 20 0 ICADLO O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001474879648 1069670955 /nfs/dbraw/zinc/67/09/55/1069670955.db2.gz LJOVKIMARWRMBD-GOSISDBHSA-N 1 2 446.591 0.642 20 0 ICADLO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001474879651 1069670969 /nfs/dbraw/zinc/67/09/69/1069670969.db2.gz LJOVKIMARWRMBD-SFHVURJKSA-N 1 2 446.591 0.642 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNS(=O)(=O)c3cnc(N)nc3)cc2)CC1 ZINC001474922878 1069675823 /nfs/dbraw/zinc/67/58/23/1069675823.db2.gz GDGDDDBNDWHPCG-UHFFFAOYSA-N 1 2 448.549 0.123 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNS(=O)(=O)Cc3ccno3)cc2)CC1 ZINC001474923118 1069675881 /nfs/dbraw/zinc/67/58/81/1069675881.db2.gz JZJIFUUALGAWJG-UHFFFAOYSA-N 1 2 436.534 0.880 20 0 ICADLO CC1(C)C[C@H](S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CO1 ZINC001474944222 1069680407 /nfs/dbraw/zinc/68/04/07/1069680407.db2.gz AXFQMFZQAYKKJH-CVEARBPZSA-N 1 2 425.555 0.769 20 0 ICADLO CC1(C)C[C@H](S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CO1 ZINC001474944222 1069680403 /nfs/dbraw/zinc/68/04/03/1069680403.db2.gz AXFQMFZQAYKKJH-CVEARBPZSA-N 1 2 425.555 0.769 20 0 ICADLO CC1(C)C[C@H](S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CO1 ZINC001474944223 1069680299 /nfs/dbraw/zinc/68/02/99/1069680299.db2.gz AXFQMFZQAYKKJH-HOTGVXAUSA-N 1 2 425.555 0.769 20 0 ICADLO CC1(C)C[C@H](S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CO1 ZINC001474944223 1069680296 /nfs/dbraw/zinc/68/02/96/1069680296.db2.gz AXFQMFZQAYKKJH-HOTGVXAUSA-N 1 2 425.555 0.769 20 0 ICADLO CC1(C)C[C@@H](S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CO1 ZINC001474944224 1069680341 /nfs/dbraw/zinc/68/03/41/1069680341.db2.gz AXFQMFZQAYKKJH-HZPDHXFCSA-N 1 2 425.555 0.769 20 0 ICADLO CC1(C)C[C@@H](S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CO1 ZINC001474944224 1069680338 /nfs/dbraw/zinc/68/03/38/1069680338.db2.gz AXFQMFZQAYKKJH-HZPDHXFCSA-N 1 2 425.555 0.769 20 0 ICADLO CC1(C)C[C@@H](S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CO1 ZINC001474944225 1069680394 /nfs/dbraw/zinc/68/03/94/1069680394.db2.gz AXFQMFZQAYKKJH-JKSUJKDBSA-N 1 2 425.555 0.769 20 0 ICADLO CC1(C)C[C@@H](S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CO1 ZINC001474944225 1069680389 /nfs/dbraw/zinc/68/03/89/1069680389.db2.gz AXFQMFZQAYKKJH-JKSUJKDBSA-N 1 2 425.555 0.769 20 0 ICADLO COc1cc2c(cc1OC)CN(C(=O)CCCNS(=O)(=O)N1CC[NH+](C)CC1)CC2 ZINC001474952917 1069681163 /nfs/dbraw/zinc/68/11/63/1069681163.db2.gz DMJCZKGUZWNBHZ-UHFFFAOYSA-N 1 2 440.566 0.451 20 0 ICADLO CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001474960741 1069682566 /nfs/dbraw/zinc/68/25/66/1069682566.db2.gz FZMJBMIBKIPLLW-GUDVDZBRSA-N 1 2 440.566 0.188 20 0 ICADLO CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001474960741 1069682562 /nfs/dbraw/zinc/68/25/62/1069682562.db2.gz FZMJBMIBKIPLLW-GUDVDZBRSA-N 1 2 440.566 0.188 20 0 ICADLO CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001474960742 1069683088 /nfs/dbraw/zinc/68/30/88/1069683088.db2.gz FZMJBMIBKIPLLW-IPMKNSEASA-N 1 2 440.566 0.188 20 0 ICADLO CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001474960742 1069683082 /nfs/dbraw/zinc/68/30/82/1069683082.db2.gz FZMJBMIBKIPLLW-IPMKNSEASA-N 1 2 440.566 0.188 20 0 ICADLO CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001474960743 1069683156 /nfs/dbraw/zinc/68/31/56/1069683156.db2.gz FZMJBMIBKIPLLW-OTWHNJEPSA-N 1 2 440.566 0.188 20 0 ICADLO CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001474960743 1069683150 /nfs/dbraw/zinc/68/31/50/1069683150.db2.gz FZMJBMIBKIPLLW-OTWHNJEPSA-N 1 2 440.566 0.188 20 0 ICADLO CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001474960744 1069683193 /nfs/dbraw/zinc/68/31/93/1069683193.db2.gz FZMJBMIBKIPLLW-QRVBRYPASA-N 1 2 440.566 0.188 20 0 ICADLO CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001474960744 1069683188 /nfs/dbraw/zinc/68/31/88/1069683188.db2.gz FZMJBMIBKIPLLW-QRVBRYPASA-N 1 2 440.566 0.188 20 0 ICADLO CC(C)[C@H](CNS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCN(C)CC1 ZINC001474965075 1069683724 /nfs/dbraw/zinc/68/37/24/1069683724.db2.gz KIKFFSROPBFTLC-KRWDZBQOSA-N 1 2 433.619 0.646 20 0 ICADLO CC(C)[C@@H](CNS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCN(C)CC1 ZINC001474965076 1069683691 /nfs/dbraw/zinc/68/36/91/1069683691.db2.gz KIKFFSROPBFTLC-QGZVFWFLSA-N 1 2 433.619 0.646 20 0 ICADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC001474975559 1069684354 /nfs/dbraw/zinc/68/43/54/1069684354.db2.gz KQTSXFLQFXJGOT-INIZCTEOSA-N 1 2 431.580 0.441 20 0 ICADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC001474975559 1069684350 /nfs/dbraw/zinc/68/43/50/1069684350.db2.gz KQTSXFLQFXJGOT-INIZCTEOSA-N 1 2 431.580 0.441 20 0 ICADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC001474975571 1069684413 /nfs/dbraw/zinc/68/44/13/1069684413.db2.gz KQTSXFLQFXJGOT-MRXNPFEDSA-N 1 2 431.580 0.441 20 0 ICADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC001474975571 1069684407 /nfs/dbraw/zinc/68/44/07/1069684407.db2.gz KQTSXFLQFXJGOT-MRXNPFEDSA-N 1 2 431.580 0.441 20 0 ICADLO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001475003320 1069686469 /nfs/dbraw/zinc/68/64/69/1069686469.db2.gz BKOVGNUJNJURAK-UHFFFAOYSA-N 1 2 432.344 0.877 20 0 ICADLO Cn1ncc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c1I ZINC001475003734 1069686534 /nfs/dbraw/zinc/68/65/34/1069686534.db2.gz KLCKVOKGQCRKFW-UHFFFAOYSA-N 1 2 428.296 0.102 20 0 ICADLO COc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001475003905 1069686456 /nfs/dbraw/zinc/68/64/56/1069686456.db2.gz PTBBSUDZLSCCQF-UHFFFAOYSA-N 1 2 448.343 0.578 20 0 ICADLO COc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1F ZINC001475005418 1069686602 /nfs/dbraw/zinc/68/66/02/1069686602.db2.gz AKIGBYGRXMDKDI-UHFFFAOYSA-N 1 2 437.497 0.972 20 0 ICADLO COc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1F ZINC001475005418 1069686599 /nfs/dbraw/zinc/68/65/99/1069686599.db2.gz AKIGBYGRXMDKDI-UHFFFAOYSA-N 1 2 437.497 0.972 20 0 ICADLO CC1(CS(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCOCC1 ZINC001475005908 1069686488 /nfs/dbraw/zinc/68/64/88/1069686488.db2.gz GHXXPTTZVKNPKY-UHFFFAOYSA-N 1 2 425.555 0.582 20 0 ICADLO CC1(CS(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCOCC1 ZINC001475005908 1069686484 /nfs/dbraw/zinc/68/64/84/1069686484.db2.gz GHXXPTTZVKNPKY-UHFFFAOYSA-N 1 2 425.555 0.582 20 0 ICADLO O=S(=O)(CCOCC1CCCC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001475008071 1069686653 /nfs/dbraw/zinc/68/66/53/1069686653.db2.gz ZHGFYGHHFVPHRN-UHFFFAOYSA-N 1 2 439.582 0.972 20 0 ICADLO O=S(=O)(CCOCC1CCCC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001475008071 1069686645 /nfs/dbraw/zinc/68/66/45/1069686645.db2.gz ZHGFYGHHFVPHRN-UHFFFAOYSA-N 1 2 439.582 0.972 20 0 ICADLO Cn1ncc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1I ZINC001475027022 1069688078 /nfs/dbraw/zinc/68/80/78/1069688078.db2.gz FRGSOGMUSQHODY-LLVKDONJSA-N 1 2 440.307 0.368 20 0 ICADLO Cn1ncc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1I ZINC001475027023 1069688131 /nfs/dbraw/zinc/68/81/31/1069688131.db2.gz FRGSOGMUSQHODY-NSHDSACASA-N 1 2 440.307 0.368 20 0 ICADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC001475037171 1069688831 /nfs/dbraw/zinc/68/88/31/1069688831.db2.gz VBDVYSYAHLRHIV-UHFFFAOYSA-N 1 2 440.547 0.499 20 0 ICADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC001475037171 1069688829 /nfs/dbraw/zinc/68/88/29/1069688829.db2.gz VBDVYSYAHLRHIV-UHFFFAOYSA-N 1 2 440.547 0.499 20 0 ICADLO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001475111940 1069698382 /nfs/dbraw/zinc/69/83/82/1069698382.db2.gz UQHKPQYERVNNCY-FHWLQOOXSA-N 1 2 430.592 0.614 20 0 ICADLO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001475111940 1069698376 /nfs/dbraw/zinc/69/83/76/1069698376.db2.gz UQHKPQYERVNNCY-FHWLQOOXSA-N 1 2 430.592 0.614 20 0 ICADLO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001475111941 1069698270 /nfs/dbraw/zinc/69/82/70/1069698270.db2.gz UQHKPQYERVNNCY-GBESFXJTSA-N 1 2 430.592 0.614 20 0 ICADLO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001475111941 1069698264 /nfs/dbraw/zinc/69/82/64/1069698264.db2.gz UQHKPQYERVNNCY-GBESFXJTSA-N 1 2 430.592 0.614 20 0 ICADLO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001475111942 1069698185 /nfs/dbraw/zinc/69/81/85/1069698185.db2.gz UQHKPQYERVNNCY-IPMKNSEASA-N 1 2 430.592 0.614 20 0 ICADLO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001475111942 1069698175 /nfs/dbraw/zinc/69/81/75/1069698175.db2.gz UQHKPQYERVNNCY-IPMKNSEASA-N 1 2 430.592 0.614 20 0 ICADLO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001475111943 1069698337 /nfs/dbraw/zinc/69/83/37/1069698337.db2.gz UQHKPQYERVNNCY-OTWHNJEPSA-N 1 2 430.592 0.614 20 0 ICADLO O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001475111943 1069698325 /nfs/dbraw/zinc/69/83/25/1069698325.db2.gz UQHKPQYERVNNCY-OTWHNJEPSA-N 1 2 430.592 0.614 20 0 ICADLO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001475150134 1069704389 /nfs/dbraw/zinc/70/43/89/1069704389.db2.gz PQUKWKDJPHQLLC-CYBMUJFWSA-N 1 2 432.461 0.359 20 0 ICADLO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001475150135 1069704510 /nfs/dbraw/zinc/70/45/10/1069704510.db2.gz PQUKWKDJPHQLLC-ZDUSSCGKSA-N 1 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COC(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1C(=O)OC ZINC001475203680 1069711911 /nfs/dbraw/zinc/71/19/11/1069711911.db2.gz SYKLNCSQPABCME-ZDUSSCGKSA-N 1 2 428.507 0.726 20 0 ICADLO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C(=O)OC ZINC001475230368 1069714562 /nfs/dbraw/zinc/71/45/62/1069714562.db2.gz AURFEPSZCCTNQT-HNNXBMFYSA-N 1 2 440.518 0.993 20 0 ICADLO CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC001475277073 1069718991 /nfs/dbraw/zinc/71/89/91/1069718991.db2.gz AGZUJGKCEYBJPY-UHFFFAOYSA-N 1 2 444.575 0.806 20 0 ICADLO CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC001475277073 1069718958 /nfs/dbraw/zinc/71/89/58/1069718958.db2.gz AGZUJGKCEYBJPY-UHFFFAOYSA-N 1 2 444.575 0.806 20 0 ICADLO COc1ccc(Br)cc1C[C@@H](CO)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001475299869 1069724658 /nfs/dbraw/zinc/72/46/58/1069724658.db2.gz MPTSNTWJCREJCK-CYBMUJFWSA-N 1 2 436.372 0.691 20 0 ICADLO COc1ccc(Br)cc1C[C@H](CO)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001475299870 1069724617 /nfs/dbraw/zinc/72/46/17/1069724617.db2.gz MPTSNTWJCREJCK-ZDUSSCGKSA-N 1 2 436.372 0.691 20 0 ICADLO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c(Br)o1 ZINC001475311072 1069727119 /nfs/dbraw/zinc/72/71/19/1069727119.db2.gz QVJYOMNEJPYMJM-JTQLQIEISA-N 1 2 425.301 0.954 20 0 ICADLO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(Br)o1 ZINC001475311072 1069727108 /nfs/dbraw/zinc/72/71/08/1069727108.db2.gz QVJYOMNEJPYMJM-JTQLQIEISA-N 1 2 425.301 0.954 20 0 ICADLO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c(Br)o1 ZINC001475311073 1069727352 /nfs/dbraw/zinc/72/73/52/1069727352.db2.gz QVJYOMNEJPYMJM-SNVBAGLBSA-N 1 2 425.301 0.954 20 0 ICADLO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(Br)o1 ZINC001475311073 1069727337 /nfs/dbraw/zinc/72/73/37/1069727337.db2.gz QVJYOMNEJPYMJM-SNVBAGLBSA-N 1 2 425.301 0.954 20 0 ICADLO CN(CCS(=O)(=O)N1CC(C[NH+]2CCOCC2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001475332682 1069731292 /nfs/dbraw/zinc/73/12/92/1069731292.db2.gz JKHXGAKGRIXXDK-UHFFFAOYSA-N 1 2 435.543 0.040 20 0 ICADLO Cc1ccc(S(=O)(=O)N=S2(=O)CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC001475358590 1069733142 /nfs/dbraw/zinc/73/31/42/1069733142.db2.gz SCPVEFBEBSXDJZ-UHFFFAOYSA-N 1 2 446.576 0.694 20 0 ICADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c1OC ZINC001475401536 1069740021 /nfs/dbraw/zinc/74/00/21/1069740021.db2.gz PFFZFCUXNGLWEB-LLVKDONJSA-N 1 2 434.898 0.861 20 0 ICADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c1OC ZINC001475401536 1069740008 /nfs/dbraw/zinc/74/00/08/1069740008.db2.gz PFFZFCUXNGLWEB-LLVKDONJSA-N 1 2 434.898 0.861 20 0 ICADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1OC ZINC001475401537 1069739805 /nfs/dbraw/zinc/73/98/05/1069739805.db2.gz PFFZFCUXNGLWEB-NSHDSACASA-N 1 2 434.898 0.861 20 0 ICADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1OC ZINC001475401537 1069739796 /nfs/dbraw/zinc/73/97/96/1069739796.db2.gz PFFZFCUXNGLWEB-NSHDSACASA-N 1 2 434.898 0.861 20 0 ICADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)CC[N@@H+](C)C1 ZINC001475401740 1069740653 /nfs/dbraw/zinc/74/06/53/1069740653.db2.gz RZIIRGJQTZWKKM-AWEZNQCLSA-N 1 2 425.507 0.769 20 0 ICADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)CC[N@H+](C)C1 ZINC001475401740 1069740639 /nfs/dbraw/zinc/74/06/39/1069740639.db2.gz RZIIRGJQTZWKKM-AWEZNQCLSA-N 1 2 425.507 0.769 20 0 ICADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)CC[N@@H+](C)C1 ZINC001475401741 1069740433 /nfs/dbraw/zinc/74/04/33/1069740433.db2.gz RZIIRGJQTZWKKM-CQSZACIVSA-N 1 2 425.507 0.769 20 0 ICADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)CC[N@H+](C)C1 ZINC001475401741 1069740430 /nfs/dbraw/zinc/74/04/30/1069740430.db2.gz RZIIRGJQTZWKKM-CQSZACIVSA-N 1 2 425.507 0.769 20 0 ICADLO CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CC[N@@H+](C)C[C@@H](C(=O)OC)C3)ccc2O1 ZINC001475401742 1069740464 /nfs/dbraw/zinc/74/04/64/1069740464.db2.gz SADMOMWZTBWZKF-PBHICJAKSA-N 1 2 426.491 0.279 20 0 ICADLO CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CC[N@H+](C)C[C@@H](C(=O)OC)C3)ccc2O1 ZINC001475401742 1069740459 /nfs/dbraw/zinc/74/04/59/1069740459.db2.gz SADMOMWZTBWZKF-PBHICJAKSA-N 1 2 426.491 0.279 20 0 ICADLO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CC[N@@H+](C)C[C@@H](C(=O)OC)C3)ccc2O1 ZINC001475401743 1069740813 /nfs/dbraw/zinc/74/08/13/1069740813.db2.gz SADMOMWZTBWZKF-RHSMWYFYSA-N 1 2 426.491 0.279 20 0 ICADLO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CC[N@H+](C)C[C@@H](C(=O)OC)C3)ccc2O1 ZINC001475401743 1069740799 /nfs/dbraw/zinc/74/07/99/1069740799.db2.gz SADMOMWZTBWZKF-RHSMWYFYSA-N 1 2 426.491 0.279 20 0 ICADLO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CC[N@@H+](C)C[C@H](C(=O)OC)C3)ccc2O1 ZINC001475401744 1069740698 /nfs/dbraw/zinc/74/06/98/1069740698.db2.gz SADMOMWZTBWZKF-WMLDXEAASA-N 1 2 426.491 0.279 20 0 ICADLO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CC[N@H+](C)C[C@H](C(=O)OC)C3)ccc2O1 ZINC001475401744 1069740683 /nfs/dbraw/zinc/74/06/83/1069740683.db2.gz SADMOMWZTBWZKF-WMLDXEAASA-N 1 2 426.491 0.279 20 0 ICADLO CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CC[N@@H+](C)C[C@H](C(=O)OC)C3)ccc2O1 ZINC001475401745 1069740543 /nfs/dbraw/zinc/74/05/43/1069740543.db2.gz SADMOMWZTBWZKF-YOEHRIQHSA-N 1 2 426.491 0.279 20 0 ICADLO CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CC[N@H+](C)C[C@H](C(=O)OC)C3)ccc2O1 ZINC001475401745 1069740536 /nfs/dbraw/zinc/74/05/36/1069740536.db2.gz SADMOMWZTBWZKF-YOEHRIQHSA-N 1 2 426.491 0.279 20 0 ICADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC[N@@H+](C)C1 ZINC001475402198 1069740516 /nfs/dbraw/zinc/74/05/16/1069740516.db2.gz WWJLAUDUXQNRMG-LLVKDONJSA-N 1 2 434.312 0.273 20 0 ICADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC[N@H+](C)C1 ZINC001475402198 1069740511 /nfs/dbraw/zinc/74/05/11/1069740511.db2.gz WWJLAUDUXQNRMG-LLVKDONJSA-N 1 2 434.312 0.273 20 0 ICADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC[N@@H+](C)C1 ZINC001475402199 1069740748 /nfs/dbraw/zinc/74/07/48/1069740748.db2.gz WWJLAUDUXQNRMG-NSHDSACASA-N 1 2 434.312 0.273 20 0 ICADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC[N@H+](C)C1 ZINC001475402199 1069740728 /nfs/dbraw/zinc/74/07/28/1069740728.db2.gz WWJLAUDUXQNRMG-NSHDSACASA-N 1 2 434.312 0.273 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C[N@H+]1CCO ZINC001475409146 1069741931 /nfs/dbraw/zinc/74/19/31/1069741931.db2.gz IKDXGPKWTZOPRL-CVEARBPZSA-N 1 2 434.603 0.949 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C[N@@H+]1CCO ZINC001475409146 1069741923 /nfs/dbraw/zinc/74/19/23/1069741923.db2.gz IKDXGPKWTZOPRL-CVEARBPZSA-N 1 2 434.603 0.949 20 0 ICADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001475409147 1069742049 /nfs/dbraw/zinc/74/20/49/1069742049.db2.gz IKDXGPKWTZOPRL-HOTGVXAUSA-N 1 2 434.603 0.949 20 0 ICADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001475409147 1069742037 /nfs/dbraw/zinc/74/20/37/1069742037.db2.gz IKDXGPKWTZOPRL-HOTGVXAUSA-N 1 2 434.603 0.949 20 0 ICADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001475409148 1069741781 /nfs/dbraw/zinc/74/17/81/1069741781.db2.gz IKDXGPKWTZOPRL-HZPDHXFCSA-N 1 2 434.603 0.949 20 0 ICADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001475409148 1069741771 /nfs/dbraw/zinc/74/17/71/1069741771.db2.gz IKDXGPKWTZOPRL-HZPDHXFCSA-N 1 2 434.603 0.949 20 0 ICADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001475409149 1069741991 /nfs/dbraw/zinc/74/19/91/1069741991.db2.gz IKDXGPKWTZOPRL-JKSUJKDBSA-N 1 2 434.603 0.949 20 0 ICADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001475409149 1069741988 /nfs/dbraw/zinc/74/19/88/1069741988.db2.gz IKDXGPKWTZOPRL-JKSUJKDBSA-N 1 2 434.603 0.949 20 0 ICADLO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC001475409175 1069742015 /nfs/dbraw/zinc/74/20/15/1069742015.db2.gz IXFNICRZQVKBKQ-GHMZBOCLSA-N 1 2 432.344 0.876 20 0 ICADLO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC001475409175 1069742008 /nfs/dbraw/zinc/74/20/08/1069742008.db2.gz IXFNICRZQVKBKQ-GHMZBOCLSA-N 1 2 432.344 0.876 20 0 ICADLO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC001475409176 1069741957 /nfs/dbraw/zinc/74/19/57/1069741957.db2.gz IXFNICRZQVKBKQ-MNOVXSKESA-N 1 2 432.344 0.876 20 0 ICADLO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC001475409176 1069741950 /nfs/dbraw/zinc/74/19/50/1069741950.db2.gz IXFNICRZQVKBKQ-MNOVXSKESA-N 1 2 432.344 0.876 20 0 ICADLO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC001475409177 1069741874 /nfs/dbraw/zinc/74/18/74/1069741874.db2.gz IXFNICRZQVKBKQ-QWRGUYRKSA-N 1 2 432.344 0.876 20 0 ICADLO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC001475409177 1069741868 /nfs/dbraw/zinc/74/18/68/1069741868.db2.gz IXFNICRZQVKBKQ-QWRGUYRKSA-N 1 2 432.344 0.876 20 0 ICADLO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC001475409178 1069742145 /nfs/dbraw/zinc/74/21/45/1069742145.db2.gz IXFNICRZQVKBKQ-WDEREUQCSA-N 1 2 432.344 0.876 20 0 ICADLO Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC001475409178 1069742136 /nfs/dbraw/zinc/74/21/36/1069742136.db2.gz IXFNICRZQVKBKQ-WDEREUQCSA-N 1 2 432.344 0.876 20 0 ICADLO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1 ZINC001475410441 1069742562 /nfs/dbraw/zinc/74/25/62/1069742562.db2.gz YLWYMGZPOZBTGX-CVEARBPZSA-N 1 2 433.596 0.592 20 0 ICADLO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1 ZINC001475410441 1069742547 /nfs/dbraw/zinc/74/25/47/1069742547.db2.gz YLWYMGZPOZBTGX-CVEARBPZSA-N 1 2 433.596 0.592 20 0 ICADLO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1 ZINC001475410442 1069742659 /nfs/dbraw/zinc/74/26/59/1069742659.db2.gz YLWYMGZPOZBTGX-HOTGVXAUSA-N 1 2 433.596 0.592 20 0 ICADLO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1 ZINC001475410442 1069742658 /nfs/dbraw/zinc/74/26/58/1069742658.db2.gz YLWYMGZPOZBTGX-HOTGVXAUSA-N 1 2 433.596 0.592 20 0 ICADLO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1 ZINC001475410443 1069742800 /nfs/dbraw/zinc/74/28/00/1069742800.db2.gz YLWYMGZPOZBTGX-HZPDHXFCSA-N 1 2 433.596 0.592 20 0 ICADLO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1 ZINC001475410443 1069742788 /nfs/dbraw/zinc/74/27/88/1069742788.db2.gz YLWYMGZPOZBTGX-HZPDHXFCSA-N 1 2 433.596 0.592 20 0 ICADLO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1 ZINC001475410444 1069742757 /nfs/dbraw/zinc/74/27/57/1069742757.db2.gz YLWYMGZPOZBTGX-JKSUJKDBSA-N 1 2 433.596 0.592 20 0 ICADLO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1 ZINC001475410444 1069742748 /nfs/dbraw/zinc/74/27/48/1069742748.db2.gz YLWYMGZPOZBTGX-JKSUJKDBSA-N 1 2 433.596 0.592 20 0 ICADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cnn(C)c2I)CC1 ZINC001475414736 1069743136 /nfs/dbraw/zinc/74/31/36/1069743136.db2.gz ZMSOYNZMZXUAQH-UHFFFAOYSA-N 1 2 442.323 0.756 20 0 ICADLO COC(=O)COc1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1 ZINC001475434650 1069746602 /nfs/dbraw/zinc/74/66/02/1069746602.db2.gz BLSJHIKMZRVMAT-KRWDZBQOSA-N 1 2 425.507 0.212 20 0 ICADLO COC(=O)COc1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC001475434651 1069746959 /nfs/dbraw/zinc/74/69/59/1069746959.db2.gz BLSJHIKMZRVMAT-QGZVFWFLSA-N 1 2 425.507 0.212 20 0 ICADLO CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)C1=O ZINC001475434669 1069746981 /nfs/dbraw/zinc/74/69/81/1069746981.db2.gz CAINJTQDWLLASO-INIZCTEOSA-N 1 2 448.542 0.171 20 0 ICADLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)C1=O ZINC001475434670 1069747021 /nfs/dbraw/zinc/74/70/21/1069747021.db2.gz CAINJTQDWLLASO-MRXNPFEDSA-N 1 2 448.542 0.171 20 0 ICADLO 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COCC[N@@H+](C)CCN1C[C@@H](NS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1=O ZINC001475589113 1069782824 /nfs/dbraw/zinc/78/28/24/1069782824.db2.gz BIXCMPZUVOPFKT-KUNJGFBQSA-N 1 2 438.616 0.430 20 0 ICADLO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1=O ZINC001475589113 1069782816 /nfs/dbraw/zinc/78/28/16/1069782816.db2.gz BIXCMPZUVOPFKT-KUNJGFBQSA-N 1 2 438.616 0.430 20 0 ICADLO COCC[N@@H+](C)CCN1C[C@@H](NS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1=O ZINC001475589114 1069782733 /nfs/dbraw/zinc/78/27/33/1069782733.db2.gz BIXCMPZUVOPFKT-QZXCRCNTSA-N 1 2 438.616 0.430 20 0 ICADLO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1=O ZINC001475589114 1069782723 /nfs/dbraw/zinc/78/27/23/1069782723.db2.gz BIXCMPZUVOPFKT-QZXCRCNTSA-N 1 2 438.616 0.430 20 0 ICADLO COCC[N@@H+](C)CCN1C[C@H](NS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1=O ZINC001475589115 1069782553 /nfs/dbraw/zinc/78/25/53/1069782553.db2.gz BIXCMPZUVOPFKT-RXAIFQJESA-N 1 2 438.616 0.430 20 0 ICADLO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1=O ZINC001475589115 1069782540 /nfs/dbraw/zinc/78/25/40/1069782540.db2.gz BIXCMPZUVOPFKT-RXAIFQJESA-N 1 2 438.616 0.430 20 0 ICADLO COCC[N@@H+](C)CCN1C[C@H](NS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1=O ZINC001475589116 1069782661 /nfs/dbraw/zinc/78/26/61/1069782661.db2.gz BIXCMPZUVOPFKT-YVORESIASA-N 1 2 438.616 0.430 20 0 ICADLO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1=O ZINC001475589116 1069782652 /nfs/dbraw/zinc/78/26/52/1069782652.db2.gz BIXCMPZUVOPFKT-YVORESIASA-N 1 2 438.616 0.430 20 0 ICADLO CN1CC[NH+](C2CCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)CC2)CC1 ZINC001475597154 1069785649 /nfs/dbraw/zinc/78/56/49/1069785649.db2.gz OCRVQBOQMFANLY-UHFFFAOYSA-N 1 2 434.559 0.598 20 0 ICADLO C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)CC2)CC1 ZINC001475597154 1069785641 /nfs/dbraw/zinc/78/56/41/1069785641.db2.gz OCRVQBOQMFANLY-UHFFFAOYSA-N 1 2 434.559 0.598 20 0 ICADLO CCOC(=O)N1CCN(S(=O)(=O)NC[C@H]2C[N@@H+](Cc3ccccc3C)CCO2)CC1 ZINC001475597295 1069785688 /nfs/dbraw/zinc/78/56/88/1069785688.db2.gz KIRLMYNVKAWGGX-IBGZPJMESA-N 1 2 440.566 0.804 20 0 ICADLO CCOC(=O)N1CCN(S(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3C)CCO2)CC1 ZINC001475597295 1069785682 /nfs/dbraw/zinc/78/56/82/1069785682.db2.gz KIRLMYNVKAWGGX-IBGZPJMESA-N 1 2 440.566 0.804 20 0 ICADLO CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)CC1 ZINC001475597304 1069785610 /nfs/dbraw/zinc/78/56/10/1069785610.db2.gz KIRLMYNVKAWGGX-LJQANCHMSA-N 1 2 440.566 0.804 20 0 ICADLO CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)CC1 ZINC001475597304 1069785602 /nfs/dbraw/zinc/78/56/02/1069785602.db2.gz KIRLMYNVKAWGGX-LJQANCHMSA-N 1 2 440.566 0.804 20 0 ICADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1F ZINC001475597929 1069785736 /nfs/dbraw/zinc/78/57/36/1069785736.db2.gz ZPAJJHUPXQAGTE-UHFFFAOYSA-N 1 2 448.586 0.988 20 0 ICADLO O=C1OCCN1c1ccc(S(=O)(=O)N[C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC001475620866 1069793278 /nfs/dbraw/zinc/79/32/78/1069793278.db2.gz TXOOUGSUJOHNGQ-KRWDZBQOSA-N 1 2 438.550 0.718 20 0 ICADLO O=C1OCCN1c1ccc(S(=O)(=O)N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC001475620867 1069793003 /nfs/dbraw/zinc/79/30/03/1069793003.db2.gz TXOOUGSUJOHNGQ-QGZVFWFLSA-N 1 2 438.550 0.718 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC001475680319 1069808618 /nfs/dbraw/zinc/80/86/18/1069808618.db2.gz HXFYKHUNZNWVIJ-HNNXBMFYSA-N 1 2 425.898 0.164 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC001475680319 1069808593 /nfs/dbraw/zinc/80/85/93/1069808593.db2.gz HXFYKHUNZNWVIJ-HNNXBMFYSA-N 1 2 425.898 0.164 20 0 ICADLO CCOC(=O)[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NS(=O)(=O)CCn1cc[nH+]c1 ZINC001475684117 1069810225 /nfs/dbraw/zinc/81/02/25/1069810225.db2.gz VKRYVVARJKCFDJ-HNNXBMFYSA-N 1 2 430.527 0.991 20 0 ICADLO CCOC(=O)[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NS(=O)(=O)CCn1cc[nH+]c1 ZINC001475684118 1069809815 /nfs/dbraw/zinc/80/98/15/1069809815.db2.gz VKRYVVARJKCFDJ-OAHLLOKOSA-N 1 2 430.527 0.991 20 0 ICADLO COCC[NH+](CCOC)C1CN(S(=O)(=O)c2cccc3c2ccnc3C(=O)OC)C1 ZINC001475705659 1069814929 /nfs/dbraw/zinc/81/49/29/1069814929.db2.gz PARCBNRGRWVMSU-UHFFFAOYSA-N 1 2 437.518 0.989 20 0 ICADLO Cc1nn(C2CCOCC2)c2ncc(S(=O)(=O)N3CCN(C)CC[N@H+](C)CC3)cc12 ZINC001475720551 1069818398 /nfs/dbraw/zinc/81/83/98/1069818398.db2.gz LKXQFPQGOYTTDG-UHFFFAOYSA-N 1 2 436.582 0.959 20 0 ICADLO Cc1nn(C2CCOCC2)c2ncc(S(=O)(=O)N3CCN(C)CC[N@@H+](C)CC3)cc12 ZINC001475720551 1069818366 /nfs/dbraw/zinc/81/83/66/1069818366.db2.gz LKXQFPQGOYTTDG-UHFFFAOYSA-N 1 2 436.582 0.959 20 0 ICADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)c(OC)c1 ZINC001475720674 1069818480 /nfs/dbraw/zinc/81/84/80/1069818480.db2.gz MOUXMLVNKIYTJZ-UHFFFAOYSA-N 1 2 434.584 0.325 20 0 ICADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)c(OC)c1 ZINC001475720674 1069818453 /nfs/dbraw/zinc/81/84/53/1069818453.db2.gz MOUXMLVNKIYTJZ-UHFFFAOYSA-N 1 2 434.584 0.325 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 ZINC001475845002 1069844003 /nfs/dbraw/zinc/84/40/03/1069844003.db2.gz HPEYHOIGTOMHJQ-UHFFFAOYSA-N 1 2 449.552 0.770 20 0 ICADLO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001475847865 1069845712 /nfs/dbraw/zinc/84/57/12/1069845712.db2.gz FDWBFMYOQVZWHP-UHFFFAOYSA-N 1 2 440.522 0.706 20 0 ICADLO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001475847865 1069845688 /nfs/dbraw/zinc/84/56/88/1069845688.db2.gz FDWBFMYOQVZWHP-UHFFFAOYSA-N 1 2 440.522 0.706 20 0 ICADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)CC1 ZINC001475851600 1069845870 /nfs/dbraw/zinc/84/58/70/1069845870.db2.gz IEBZBQMQESFJDB-INIZCTEOSA-N 1 2 429.521 0.569 20 0 ICADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)CC1 ZINC001475851601 1069845585 /nfs/dbraw/zinc/84/55/85/1069845585.db2.gz IEBZBQMQESFJDB-MRXNPFEDSA-N 1 2 429.521 0.569 20 0 ICADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCS(=O)(=O)C2CCOCC2)CC1 ZINC001475851890 1069845542 /nfs/dbraw/zinc/84/55/42/1069845542.db2.gz NDQOVYPOCSJFJP-UHFFFAOYSA-N 1 2 438.550 0.790 20 0 ICADLO Cn1ccn2c(CCNC(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)nnc2c1=O ZINC001475851901 1069845813 /nfs/dbraw/zinc/84/58/13/1069845813.db2.gz NHYHYNLCQKSALK-UHFFFAOYSA-N 1 2 438.492 0.180 20 0 ICADLO CCc1nnc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC001475921527 1069849643 /nfs/dbraw/zinc/84/96/43/1069849643.db2.gz OAZMPZIRQOQIRZ-UHFFFAOYSA-N 1 2 425.540 0.769 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC001475953379 1069850875 /nfs/dbraw/zinc/85/08/75/1069850875.db2.gz QPEJCPCCRRUSLJ-UHFFFAOYSA-N 1 2 434.537 0.900 20 0 ICADLO COC(=O)CN1CCN(c2ccc(NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cc2)CC1 ZINC001476139840 1069861480 /nfs/dbraw/zinc/86/14/80/1069861480.db2.gz SNELEAIAVBGQIY-FQEVSTJZSA-N 1 2 431.537 0.920 20 0 ICADLO COC(=O)CN1CCN(c2ccc(NC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cc2)CC1 ZINC001476139841 1069861726 /nfs/dbraw/zinc/86/17/26/1069861726.db2.gz SNELEAIAVBGQIY-HXUWFJFHSA-N 1 2 431.537 0.920 20 0 ICADLO O=C(NCc1ccc(CN2C(=O)CNC2=O)cc1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001476205100 1069866615 /nfs/dbraw/zinc/86/66/15/1069866615.db2.gz JYGSZJWYIRTKEV-UHFFFAOYSA-N 1 2 441.492 0.589 20 0 ICADLO O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001476205250 1069867100 /nfs/dbraw/zinc/86/71/00/1069867100.db2.gz MCPXJYRBZBRDCC-INIZCTEOSA-N 1 2 435.506 0.572 20 0 ICADLO O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001476205251 1069866741 /nfs/dbraw/zinc/86/67/41/1069866741.db2.gz MCPXJYRBZBRDCC-MRXNPFEDSA-N 1 2 435.506 0.572 20 0 ICADLO CS(=O)(=O)NC1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCCC1 ZINC001476205422 1069867010 /nfs/dbraw/zinc/86/70/10/1069867010.db2.gz RTSKRSRUNBXIPP-UHFFFAOYSA-N 1 2 428.559 0.589 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1 ZINC001476208312 1069866857 /nfs/dbraw/zinc/86/68/57/1069866857.db2.gz PGEOSKAONGWSLB-UHFFFAOYSA-N 1 2 430.527 0.879 20 0 ICADLO CNS(=O)(=O)c1cccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1C ZINC001476273148 1069871470 /nfs/dbraw/zinc/87/14/70/1069871470.db2.gz OAZZQFJJHGDWHQ-IBGZPJMESA-N 1 2 426.539 0.640 20 0 ICADLO CNS(=O)(=O)c1cccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1C ZINC001476273148 1069871450 /nfs/dbraw/zinc/87/14/50/1069871450.db2.gz OAZZQFJJHGDWHQ-IBGZPJMESA-N 1 2 426.539 0.640 20 0 ICADLO CNS(=O)(=O)c1cccc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1C ZINC001476273152 1069871560 /nfs/dbraw/zinc/87/15/60/1069871560.db2.gz OAZZQFJJHGDWHQ-LJQANCHMSA-N 1 2 426.539 0.640 20 0 ICADLO CNS(=O)(=O)c1cccc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1C ZINC001476273152 1069871546 /nfs/dbraw/zinc/87/15/46/1069871546.db2.gz OAZZQFJJHGDWHQ-LJQANCHMSA-N 1 2 426.539 0.640 20 0 ICADLO C[C@@H](CNC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)[NH+]1CCN(C)CC1 ZINC001476281237 1069871217 /nfs/dbraw/zinc/87/12/17/1069871217.db2.gz KAFVONMFXNLGAR-AWEZNQCLSA-N 1 2 438.960 0.915 20 0 ICADLO C[C@H](CNC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)[NH+]1CCN(C)CC1 ZINC001476281238 1069871385 /nfs/dbraw/zinc/87/13/85/1069871385.db2.gz KAFVONMFXNLGAR-CQSZACIVSA-N 1 2 438.960 0.915 20 0 ICADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)[C@@H](C)CO1 ZINC001476289297 1069872429 /nfs/dbraw/zinc/87/24/29/1069872429.db2.gz NDKHXCQPANRXIP-KBPBESRZSA-N 1 2 446.508 0.410 20 0 ICADLO C[C@H]1C[N@H+](CCNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)[C@@H](C)CO1 ZINC001476289297 1069872406 /nfs/dbraw/zinc/87/24/06/1069872406.db2.gz NDKHXCQPANRXIP-KBPBESRZSA-N 1 2 446.508 0.410 20 0 ICADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC001476289298 1069871950 /nfs/dbraw/zinc/87/19/50/1069871950.db2.gz NDKHXCQPANRXIP-KGLIPLIRSA-N 1 2 446.508 0.410 20 0 ICADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC001476289298 1069871935 /nfs/dbraw/zinc/87/19/35/1069871935.db2.gz NDKHXCQPANRXIP-KGLIPLIRSA-N 1 2 446.508 0.410 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)[C@@H](C)CO1 ZINC001476289299 1069872181 /nfs/dbraw/zinc/87/21/81/1069872181.db2.gz NDKHXCQPANRXIP-UONOGXRCSA-N 1 2 446.508 0.410 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)[C@@H](C)CO1 ZINC001476289299 1069872154 /nfs/dbraw/zinc/87/21/54/1069872154.db2.gz NDKHXCQPANRXIP-UONOGXRCSA-N 1 2 446.508 0.410 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)[C@H](C)CO1 ZINC001476289300 1069872281 /nfs/dbraw/zinc/87/22/81/1069872281.db2.gz NDKHXCQPANRXIP-ZIAGYGMSSA-N 1 2 446.508 0.410 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)[C@H](C)CO1 ZINC001476289300 1069872264 /nfs/dbraw/zinc/87/22/64/1069872264.db2.gz NDKHXCQPANRXIP-ZIAGYGMSSA-N 1 2 446.508 0.410 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC001476297187 1069873103 /nfs/dbraw/zinc/87/31/03/1069873103.db2.gz MCUDUCKHOSLTOH-HRAATJIYSA-N 1 2 431.493 0.174 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC001476297187 1069873088 /nfs/dbraw/zinc/87/30/88/1069873088.db2.gz MCUDUCKHOSLTOH-HRAATJIYSA-N 1 2 431.493 0.174 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC001476297188 1069873178 /nfs/dbraw/zinc/87/31/78/1069873178.db2.gz MCUDUCKHOSLTOH-IERDGZPVSA-N 1 2 431.493 0.174 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC001476297188 1069873158 /nfs/dbraw/zinc/87/31/58/1069873158.db2.gz MCUDUCKHOSLTOH-IERDGZPVSA-N 1 2 431.493 0.174 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC001476297189 1069872877 /nfs/dbraw/zinc/87/28/77/1069872877.db2.gz MCUDUCKHOSLTOH-IIBYNOLFSA-N 1 2 431.493 0.174 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC001476297189 1069872853 /nfs/dbraw/zinc/87/28/53/1069872853.db2.gz MCUDUCKHOSLTOH-IIBYNOLFSA-N 1 2 431.493 0.174 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC001476297190 1069872760 /nfs/dbraw/zinc/87/27/60/1069872760.db2.gz MCUDUCKHOSLTOH-KKSFZXQISA-N 1 2 431.493 0.174 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC001476297190 1069872738 /nfs/dbraw/zinc/87/27/38/1069872738.db2.gz MCUDUCKHOSLTOH-KKSFZXQISA-N 1 2 431.493 0.174 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)CC1 ZINC001476299195 1069873060 /nfs/dbraw/zinc/87/30/60/1069873060.db2.gz WBYGXFRAAGUPTF-UHFFFAOYSA-N 1 2 444.554 0.756 20 0 ICADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 ZINC001476388245 1069877203 /nfs/dbraw/zinc/87/72/03/1069877203.db2.gz CGWYHVTWSRAZKJ-CABCVRRESA-N 1 2 446.508 0.798 20 0 ICADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 ZINC001476388245 1069877185 /nfs/dbraw/zinc/87/71/85/1069877185.db2.gz CGWYHVTWSRAZKJ-CABCVRRESA-N 1 2 446.508 0.798 20 0 ICADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)[C@@H](C)CO1 ZINC001476388246 1069877306 /nfs/dbraw/zinc/87/73/06/1069877306.db2.gz CGWYHVTWSRAZKJ-GJZGRUSLSA-N 1 2 446.508 0.798 20 0 ICADLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)[C@@H](C)CO1 ZINC001476388246 1069877295 /nfs/dbraw/zinc/87/72/95/1069877295.db2.gz CGWYHVTWSRAZKJ-GJZGRUSLSA-N 1 2 446.508 0.798 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)[C@H](C)CO1 ZINC001476388248 1069877147 /nfs/dbraw/zinc/87/71/47/1069877147.db2.gz CGWYHVTWSRAZKJ-HUUCEWRRSA-N 1 2 446.508 0.798 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)[C@H](C)CO1 ZINC001476388248 1069877130 /nfs/dbraw/zinc/87/71/30/1069877130.db2.gz CGWYHVTWSRAZKJ-HUUCEWRRSA-N 1 2 446.508 0.798 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)[C@@H](C)CO1 ZINC001476388249 1069877456 /nfs/dbraw/zinc/87/74/56/1069877456.db2.gz CGWYHVTWSRAZKJ-LSDHHAIUSA-N 1 2 446.508 0.798 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)[C@@H](C)CO1 ZINC001476388249 1069877433 /nfs/dbraw/zinc/87/74/33/1069877433.db2.gz CGWYHVTWSRAZKJ-LSDHHAIUSA-N 1 2 446.508 0.798 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 ZINC001476388623 1069878099 /nfs/dbraw/zinc/87/80/99/1069878099.db2.gz LMNWITHKQRNWAH-KRWDZBQOSA-N 1 2 446.508 0.799 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 ZINC001476388623 1069878090 /nfs/dbraw/zinc/87/80/90/1069878090.db2.gz LMNWITHKQRNWAH-KRWDZBQOSA-N 1 2 446.508 0.799 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 ZINC001476388624 1069878007 /nfs/dbraw/zinc/87/80/07/1069878007.db2.gz LMNWITHKQRNWAH-QGZVFWFLSA-N 1 2 446.508 0.799 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 ZINC001476388624 1069877985 /nfs/dbraw/zinc/87/79/85/1069877985.db2.gz LMNWITHKQRNWAH-QGZVFWFLSA-N 1 2 446.508 0.799 20 0 ICADLO O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001476388938 1069878056 /nfs/dbraw/zinc/87/80/56/1069878056.db2.gz ULVXSJOZIYKXDA-CALCHBBNSA-N 1 2 444.492 0.552 20 0 ICADLO O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001476388938 1069878042 /nfs/dbraw/zinc/87/80/42/1069878042.db2.gz ULVXSJOZIYKXDA-CALCHBBNSA-N 1 2 444.492 0.552 20 0 ICADLO CC(=O)N1CCN(Cc2ccccc2NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001476423879 1069878674 /nfs/dbraw/zinc/87/86/74/1069878674.db2.gz VUBDKVNLICFNTA-UHFFFAOYSA-N 1 2 431.537 0.921 20 0 ICADLO CC(=O)N1CCN(Cc2ccccc2NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001476423879 1069878650 /nfs/dbraw/zinc/87/86/50/1069878650.db2.gz VUBDKVNLICFNTA-UHFFFAOYSA-N 1 2 431.537 0.921 20 0 ICADLO COc1ccc(NS(C)(=O)=O)cc1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001476627998 1069888609 /nfs/dbraw/zinc/88/86/09/1069888609.db2.gz IQJXPNIPIYTOIA-IBGZPJMESA-N 1 2 442.538 0.804 20 0 ICADLO COc1ccc(NS(C)(=O)=O)cc1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001476627998 1069888582 /nfs/dbraw/zinc/88/85/82/1069888582.db2.gz IQJXPNIPIYTOIA-IBGZPJMESA-N 1 2 442.538 0.804 20 0 ICADLO COc1ccc(NS(C)(=O)=O)cc1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001476627999 1069888918 /nfs/dbraw/zinc/88/89/18/1069888918.db2.gz IQJXPNIPIYTOIA-LJQANCHMSA-N 1 2 442.538 0.804 20 0 ICADLO COc1ccc(NS(C)(=O)=O)cc1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001476627999 1069888897 /nfs/dbraw/zinc/88/88/97/1069888897.db2.gz IQJXPNIPIYTOIA-LJQANCHMSA-N 1 2 442.538 0.804 20 0 ICADLO Cc1ccn2ncnc2c1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001476660479 1069890796 /nfs/dbraw/zinc/89/07/96/1069890796.db2.gz QDINFOCNYLBUMC-UHFFFAOYSA-N 1 2 444.521 0.706 20 0 ICADLO NC(=O)c1cc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC001476665228 1069890941 /nfs/dbraw/zinc/89/09/41/1069890941.db2.gz OVNIDPATAHKYOM-UHFFFAOYSA-N 1 2 438.535 0.516 20 0 ICADLO C[N@H+]1CCN(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001476722294 1069891608 /nfs/dbraw/zinc/89/16/08/1069891608.db2.gz SFFSSTSQIJAJEZ-CYBMUJFWSA-N 1 2 436.517 0.713 20 0 ICADLO C[N@@H+]1CCN(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001476722294 1069891593 /nfs/dbraw/zinc/89/15/93/1069891593.db2.gz SFFSSTSQIJAJEZ-CYBMUJFWSA-N 1 2 436.517 0.713 20 0 ICADLO C[N@H+]1CCN(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001476722295 1069891880 /nfs/dbraw/zinc/89/18/80/1069891880.db2.gz SFFSSTSQIJAJEZ-ZDUSSCGKSA-N 1 2 436.517 0.713 20 0 ICADLO C[N@@H+]1CCN(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001476722295 1069891856 /nfs/dbraw/zinc/89/18/56/1069891856.db2.gz SFFSSTSQIJAJEZ-ZDUSSCGKSA-N 1 2 436.517 0.713 20 0 ICADLO CCn1cccc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1=O ZINC001476752941 1069893850 /nfs/dbraw/zinc/89/38/50/1069893850.db2.gz FHTXLYQHHAYULC-UHFFFAOYSA-N 1 2 434.522 0.537 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3ccc(=O)n(CC(N)=O)c3)C2)CC1 ZINC001476843524 1069896972 /nfs/dbraw/zinc/89/69/72/1069896972.db2.gz SEBJSTCSIRMDTD-INIZCTEOSA-N 1 2 448.524 0.493 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc(=O)n(CC(N)=O)c3)C2)CC1 ZINC001476843525 1069896825 /nfs/dbraw/zinc/89/68/25/1069896825.db2.gz SEBJSTCSIRMDTD-MRXNPFEDSA-N 1 2 448.524 0.493 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cnn(CCF)c1 ZINC001476874123 1069898945 /nfs/dbraw/zinc/89/89/45/1069898945.db2.gz PCRZOQBJFRXEDQ-UHFFFAOYSA-N 1 2 425.490 0.521 20 0 ICADLO Cc1ncc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C(N)=O ZINC001476981148 1069902356 /nfs/dbraw/zinc/90/23/56/1069902356.db2.gz SQWUDFVZUZJFTR-HNNXBMFYSA-N 1 2 440.508 0.906 20 0 ICADLO Cc1ncc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1C(N)=O ZINC001476981148 1069902349 /nfs/dbraw/zinc/90/23/49/1069902349.db2.gz SQWUDFVZUZJFTR-HNNXBMFYSA-N 1 2 440.508 0.906 20 0 ICADLO Cc1ncc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C(N)=O ZINC001476981149 1069902437 /nfs/dbraw/zinc/90/24/37/1069902437.db2.gz SQWUDFVZUZJFTR-OAHLLOKOSA-N 1 2 440.508 0.906 20 0 ICADLO Cc1ncc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1C(N)=O ZINC001476981149 1069902433 /nfs/dbraw/zinc/90/24/33/1069902433.db2.gz SQWUDFVZUZJFTR-OAHLLOKOSA-N 1 2 440.508 0.906 20 0 ICADLO CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCC(C)(C)[NH+]3CCOCC3)CC2=O)C1 ZINC001477241655 1069909635 /nfs/dbraw/zinc/90/96/35/1069909635.db2.gz CYCWMZFFSOGZKK-HNNXBMFYSA-N 1 2 439.557 0.617 20 0 ICADLO CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCC(C)(C)[NH+]3CCOCC3)CC2=O)C1 ZINC001477241658 1069909624 /nfs/dbraw/zinc/90/96/24/1069909624.db2.gz CYCWMZFFSOGZKK-OAHLLOKOSA-N 1 2 439.557 0.617 20 0 ICADLO CC[NH+]1CCN(Cc2ccc(CNC(=O)NCc3n[nH]c(CS(C)(=O)=O)n3)cc2)CC1 ZINC001477250092 1069910393 /nfs/dbraw/zinc/91/03/93/1069910393.db2.gz LKOAMWXWNNFKHM-UHFFFAOYSA-N 1 2 449.581 0.486 20 0 ICADLO CC[NH+]1CCN(Cc2ccc(CNC(=O)NCc3nc(CS(C)(=O)=O)n[nH]3)cc2)CC1 ZINC001477250092 1069910388 /nfs/dbraw/zinc/91/03/88/1069910388.db2.gz LKOAMWXWNNFKHM-UHFFFAOYSA-N 1 2 449.581 0.486 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001477268510 1069911155 /nfs/dbraw/zinc/91/11/55/1069911155.db2.gz MIOKWPKLWHKFSC-FQEVSTJZSA-N 1 2 445.589 0.992 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001477268510 1069911148 /nfs/dbraw/zinc/91/11/48/1069911148.db2.gz MIOKWPKLWHKFSC-FQEVSTJZSA-N 1 2 445.589 0.992 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001477268511 1069911061 /nfs/dbraw/zinc/91/10/61/1069911061.db2.gz MIOKWPKLWHKFSC-HXUWFJFHSA-N 1 2 445.589 0.992 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001477268511 1069911059 /nfs/dbraw/zinc/91/10/59/1069911059.db2.gz MIOKWPKLWHKFSC-HXUWFJFHSA-N 1 2 445.589 0.992 20 0 ICADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)C1O ZINC001477274847 1069911599 /nfs/dbraw/zinc/91/15/99/1069911599.db2.gz BFSROZCLMMPCDO-HOTGVXAUSA-N 1 2 425.555 0.192 20 0 ICADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)C1O ZINC001477274848 1069911813 /nfs/dbraw/zinc/91/18/13/1069911813.db2.gz BFSROZCLMMPCDO-HZPDHXFCSA-N 1 2 425.555 0.192 20 0 ICADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)[C@H]1O ZINC001477274849 1069911633 /nfs/dbraw/zinc/91/16/33/1069911633.db2.gz BFSROZCLMMPCDO-VQFNDLOPSA-N 1 2 425.555 0.192 20 0 ICADLO CC(C)(O)C(C)(C)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477274857 1069911686 /nfs/dbraw/zinc/91/16/86/1069911686.db2.gz BMFCZWFBUJAGOB-UHFFFAOYSA-N 1 2 427.571 0.630 20 0 ICADLO C[C@H]1C[C@@H](CO)CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001477274901 1069912263 /nfs/dbraw/zinc/91/22/63/1069912263.db2.gz CYPVKGDVXYMIBW-DLBZAZTESA-N 1 2 425.555 0.193 20 0 ICADLO C[C@@H]1C[C@@H](CO)CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001477274902 1069912365 /nfs/dbraw/zinc/91/23/65/1069912365.db2.gz CYPVKGDVXYMIBW-IAGOWNOFSA-N 1 2 425.555 0.193 20 0 ICADLO C[C@H]1C[C@H](CO)CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001477274903 1069912426 /nfs/dbraw/zinc/91/24/26/1069912426.db2.gz CYPVKGDVXYMIBW-IRXDYDNUSA-N 1 2 425.555 0.193 20 0 ICADLO C[C@@H]1C[C@H](CO)CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001477274904 1069912518 /nfs/dbraw/zinc/91/25/18/1069912518.db2.gz CYPVKGDVXYMIBW-SJORKVTESA-N 1 2 425.555 0.193 20 0 ICADLO COC(=O)C1=CC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001477274939 1069912234 /nfs/dbraw/zinc/91/22/34/1069912234.db2.gz DYQFZHQIJWNVLU-INIZCTEOSA-N 1 2 437.522 0.094 20 0 ICADLO COC(=O)C1=CC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001477274940 1069912307 /nfs/dbraw/zinc/91/23/07/1069912307.db2.gz DYQFZHQIJWNVLU-MRXNPFEDSA-N 1 2 437.522 0.094 20 0 ICADLO CC[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC001477275014 1069912504 /nfs/dbraw/zinc/91/25/04/1069912504.db2.gz HCESDHVIVOUHIL-DLBZAZTESA-N 1 2 425.555 0.742 20 0 ICADLO CC[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)CO1 ZINC001477275015 1069912336 /nfs/dbraw/zinc/91/23/36/1069912336.db2.gz HCESDHVIVOUHIL-IAGOWNOFSA-N 1 2 425.555 0.742 20 0 ICADLO CC[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC001477275016 1069912216 /nfs/dbraw/zinc/91/22/16/1069912216.db2.gz HCESDHVIVOUHIL-IRXDYDNUSA-N 1 2 425.555 0.742 20 0 ICADLO CC[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)CO1 ZINC001477275017 1069912410 /nfs/dbraw/zinc/91/24/10/1069912410.db2.gz HCESDHVIVOUHIL-SJORKVTESA-N 1 2 425.555 0.742 20 0 ICADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477275049 1069912294 /nfs/dbraw/zinc/91/22/94/1069912294.db2.gz IPUWVULQSKQWQC-CUSZFKRNSA-N 1 2 425.555 0.645 20 0 ICADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477275050 1069912318 /nfs/dbraw/zinc/91/23/18/1069912318.db2.gz IPUWVULQSKQWQC-HPFXQQBRSA-N 1 2 425.555 0.645 20 0 ICADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477275051 1069912456 /nfs/dbraw/zinc/91/24/56/1069912456.db2.gz IPUWVULQSKQWQC-KYHPRHEASA-N 1 2 425.555 0.645 20 0 ICADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477275052 1069912400 /nfs/dbraw/zinc/91/24/00/1069912400.db2.gz IPUWVULQSKQWQC-LISAXSMJSA-N 1 2 425.555 0.645 20 0 ICADLO C[C@@]12CSC[C@@H]1CN(C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC001477275065 1069912357 /nfs/dbraw/zinc/91/23/57/1069912357.db2.gz JBPKGCSTHUHLSW-QFBILLFUSA-N 1 2 439.607 0.928 20 0 ICADLO C[C@@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c2ncnn21 ZINC001477275165 1069913120 /nfs/dbraw/zinc/91/31/20/1069913120.db2.gz MPDJOZVGCITWDQ-CABCVRRESA-N 1 2 434.526 0.130 20 0 ICADLO C[C@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c2ncnn21 ZINC001477275166 1069913054 /nfs/dbraw/zinc/91/30/54/1069913054.db2.gz MPDJOZVGCITWDQ-GJZGRUSLSA-N 1 2 434.526 0.130 20 0 ICADLO C[C@@H]1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c2ncnn21 ZINC001477275167 1069913148 /nfs/dbraw/zinc/91/31/48/1069913148.db2.gz MPDJOZVGCITWDQ-HUUCEWRRSA-N 1 2 434.526 0.130 20 0 ICADLO C[C@H]1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c2ncnn21 ZINC001477275168 1069913068 /nfs/dbraw/zinc/91/30/68/1069913068.db2.gz MPDJOZVGCITWDQ-LSDHHAIUSA-N 1 2 434.526 0.130 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001477275209 1069913281 /nfs/dbraw/zinc/91/32/81/1069913281.db2.gz OEAORXBZKLSSJR-BZSNNMDCSA-N 1 2 437.566 0.790 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001477275210 1069913192 /nfs/dbraw/zinc/91/31/92/1069913192.db2.gz OEAORXBZKLSSJR-FGTMMUONSA-N 1 2 437.566 0.790 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001477275211 1069913132 /nfs/dbraw/zinc/91/31/32/1069913132.db2.gz OEAORXBZKLSSJR-OKZBNKHCSA-N 1 2 437.566 0.790 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001477275212 1069913042 /nfs/dbraw/zinc/91/30/42/1069913042.db2.gz OEAORXBZKLSSJR-SQNIBIBYSA-N 1 2 437.566 0.790 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCOC12CCCC2 ZINC001477275229 1069913103 /nfs/dbraw/zinc/91/31/03/1069913103.db2.gz OVIXUDNTLDRAIK-KRWDZBQOSA-N 1 2 437.566 0.934 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCOC12CCCC2 ZINC001477275230 1069913092 /nfs/dbraw/zinc/91/30/92/1069913092.db2.gz OVIXUDNTLDRAIK-QGZVFWFLSA-N 1 2 437.566 0.934 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]2CSC[C@H]2C1 ZINC001477275231 1069913259 /nfs/dbraw/zinc/91/32/59/1069913259.db2.gz OVJHECCJMLFCDU-DLBZAZTESA-N 1 2 439.607 0.928 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]2CSC[C@H]2C1 ZINC001477275232 1069913160 /nfs/dbraw/zinc/91/31/60/1069913160.db2.gz OVJHECCJMLFCDU-IAGOWNOFSA-N 1 2 439.607 0.928 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]2CSC[C@@H]2C1 ZINC001477275233 1069913031 /nfs/dbraw/zinc/91/30/31/1069913031.db2.gz OVJHECCJMLFCDU-IRXDYDNUSA-N 1 2 439.607 0.928 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]2CSC[C@@H]2C1 ZINC001477275234 1069913022 /nfs/dbraw/zinc/91/30/22/1069913022.db2.gz OVJHECCJMLFCDU-SJORKVTESA-N 1 2 439.607 0.928 20 0 ICADLO COC(=O)[C@@H]1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001477275263 1069913179 /nfs/dbraw/zinc/91/31/79/1069913179.db2.gz PWSIZLKQXHWIEM-CVEARBPZSA-N 1 2 439.538 0.174 20 0 ICADLO Cc1nccnc1CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477275470 1069913862 /nfs/dbraw/zinc/91/38/62/1069913862.db2.gz TXZGMNUBHBQLBQ-UHFFFAOYSA-N 1 2 433.538 0.174 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCc2nccnc2C1 ZINC001477275504 1069913838 /nfs/dbraw/zinc/91/38/38/1069913838.db2.gz UXRNJYRWXZUTCX-UHFFFAOYSA-N 1 2 431.522 0.091 20 0 ICADLO CCC(O)(CC)CN(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477275632 1069913795 /nfs/dbraw/zinc/91/37/95/1069913795.db2.gz WEMHCICVCLHRIN-UHFFFAOYSA-N 1 2 427.571 0.726 20 0 ICADLO CCO[C@@H]1CCC[C@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477275696 1069913969 /nfs/dbraw/zinc/91/39/69/1069913969.db2.gz YITJLDPAASZWAR-IAGOWNOFSA-N 1 2 425.555 0.790 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H](n2ccnn2)C1 ZINC001477275700 1069913847 /nfs/dbraw/zinc/91/38/47/1069913847.db2.gz YLWJVTSADCEIQY-KRWDZBQOSA-N 1 2 448.553 0.172 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H](n2ccnn2)C1 ZINC001477275701 1069913924 /nfs/dbraw/zinc/91/39/24/1069913924.db2.gz YLWJVTSADCEIQY-QGZVFWFLSA-N 1 2 448.553 0.172 20 0 ICADLO CO[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC001477275720 1069913933 /nfs/dbraw/zinc/91/39/33/1069913933.db2.gz YYJWRBHTOGFLPL-DLBZAZTESA-N 1 2 425.555 0.600 20 0 ICADLO CO[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC001477275721 1069913829 /nfs/dbraw/zinc/91/38/29/1069913829.db2.gz YYJWRBHTOGFLPL-IAGOWNOFSA-N 1 2 425.555 0.600 20 0 ICADLO CO[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC001477275722 1069913883 /nfs/dbraw/zinc/91/38/83/1069913883.db2.gz YYJWRBHTOGFLPL-IRXDYDNUSA-N 1 2 425.555 0.600 20 0 ICADLO CO[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC001477275723 1069914003 /nfs/dbraw/zinc/91/40/03/1069914003.db2.gz YYJWRBHTOGFLPL-SJORKVTESA-N 1 2 425.555 0.600 20 0 ICADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001477337826 1069917425 /nfs/dbraw/zinc/91/74/25/1069917425.db2.gz XYMUQIYDSBGHJI-HDICACEKSA-N 1 2 438.550 0.370 20 0 ICADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001477337826 1069917422 /nfs/dbraw/zinc/91/74/22/1069917422.db2.gz XYMUQIYDSBGHJI-HDICACEKSA-N 1 2 438.550 0.370 20 0 ICADLO Cn1ccnc1[C@@](O)(CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)C(F)(F)F ZINC001477376730 1069920082 /nfs/dbraw/zinc/92/00/82/1069920082.db2.gz DGPJZVYVZBMNJK-MSOLQXFVSA-N 1 2 449.474 0.475 20 0 ICADLO Cn1ccnc1[C@@](O)(CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)C(F)(F)F ZINC001477376730 1069920078 /nfs/dbraw/zinc/92/00/78/1069920078.db2.gz DGPJZVYVZBMNJK-MSOLQXFVSA-N 1 2 449.474 0.475 20 0 ICADLO Cn1ccnc1[C@](O)(CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)C(F)(F)F ZINC001477376732 1069920125 /nfs/dbraw/zinc/92/01/25/1069920125.db2.gz DGPJZVYVZBMNJK-QZTJIDSGSA-N 1 2 449.474 0.475 20 0 ICADLO Cn1ccnc1[C@](O)(CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)C(F)(F)F ZINC001477376732 1069920121 /nfs/dbraw/zinc/92/01/21/1069920121.db2.gz DGPJZVYVZBMNJK-QZTJIDSGSA-N 1 2 449.474 0.475 20 0 ICADLO Cn1ccnc1[C@@](O)(CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C(F)(F)F ZINC001477376734 1069920666 /nfs/dbraw/zinc/92/06/66/1069920666.db2.gz DGPJZVYVZBMNJK-ROUUACIJSA-N 1 2 449.474 0.475 20 0 ICADLO Cn1ccnc1[C@@](O)(CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C(F)(F)F ZINC001477376734 1069920662 /nfs/dbraw/zinc/92/06/62/1069920662.db2.gz DGPJZVYVZBMNJK-ROUUACIJSA-N 1 2 449.474 0.475 20 0 ICADLO Cn1ccnc1[C@](O)(CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C(F)(F)F ZINC001477376736 1069920775 /nfs/dbraw/zinc/92/07/75/1069920775.db2.gz DGPJZVYVZBMNJK-ZWKOTPCHSA-N 1 2 449.474 0.475 20 0 ICADLO Cn1ccnc1[C@](O)(CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C(F)(F)F ZINC001477376736 1069920765 /nfs/dbraw/zinc/92/07/65/1069920765.db2.gz DGPJZVYVZBMNJK-ZWKOTPCHSA-N 1 2 449.474 0.475 20 0 ICADLO Cn1cnnc1N1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC001477410304 1069923567 /nfs/dbraw/zinc/92/35/67/1069923567.db2.gz HBJOSUXQLURYFE-UHFFFAOYSA-N 1 2 426.525 0.750 20 0 ICADLO C[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC001477456107 1069926575 /nfs/dbraw/zinc/92/65/75/1069926575.db2.gz ZEDSPIDKIKUYCX-AUUYWEPGSA-N 1 2 426.539 0.310 20 0 ICADLO C[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC001477456107 1069926571 /nfs/dbraw/zinc/92/65/71/1069926571.db2.gz ZEDSPIDKIKUYCX-AUUYWEPGSA-N 1 2 426.539 0.310 20 0 ICADLO C[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC001477456108 1069926641 /nfs/dbraw/zinc/92/66/41/1069926641.db2.gz ZEDSPIDKIKUYCX-IFXJQAMLSA-N 1 2 426.539 0.310 20 0 ICADLO C[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC001477456108 1069926640 /nfs/dbraw/zinc/92/66/40/1069926640.db2.gz ZEDSPIDKIKUYCX-IFXJQAMLSA-N 1 2 426.539 0.310 20 0 ICADLO C[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC001477456109 1069926446 /nfs/dbraw/zinc/92/64/46/1069926446.db2.gz ZEDSPIDKIKUYCX-KUHUBIRLSA-N 1 2 426.539 0.310 20 0 ICADLO C[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC001477456109 1069926443 /nfs/dbraw/zinc/92/64/43/1069926443.db2.gz ZEDSPIDKIKUYCX-KUHUBIRLSA-N 1 2 426.539 0.310 20 0 ICADLO C[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC001477456110 1069926506 /nfs/dbraw/zinc/92/65/06/1069926506.db2.gz ZEDSPIDKIKUYCX-LIRRHRJNSA-N 1 2 426.539 0.310 20 0 ICADLO C[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)c1cccc(S(N)(=O)=O)c1 ZINC001477456110 1069926501 /nfs/dbraw/zinc/92/65/01/1069926501.db2.gz ZEDSPIDKIKUYCX-LIRRHRJNSA-N 1 2 426.539 0.310 20 0 ICADLO CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC001477526008 1069929588 /nfs/dbraw/zinc/92/95/88/1069929588.db2.gz NRQYLQPHJUTYLD-HSZRJFAPSA-N 1 2 432.565 0.934 20 0 ICADLO CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC001477526126 1069929832 /nfs/dbraw/zinc/92/98/32/1069929832.db2.gz NRQYLQPHJUTYLD-QHCPKHFHSA-N 1 2 432.565 0.934 20 0 ICADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001477550384 1069931771 /nfs/dbraw/zinc/93/17/71/1069931771.db2.gz ZLJXOMIISYLNNQ-CVEARBPZSA-N 1 2 427.546 0.474 20 0 ICADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001477550384 1069931768 /nfs/dbraw/zinc/93/17/68/1069931768.db2.gz ZLJXOMIISYLNNQ-CVEARBPZSA-N 1 2 427.546 0.474 20 0 ICADLO C[C@H]1C[N@@H+](CCNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)CO1 ZINC001477550385 1069932524 /nfs/dbraw/zinc/93/25/24/1069932524.db2.gz ZLJXOMIISYLNNQ-HOTGVXAUSA-N 1 2 427.546 0.474 20 0 ICADLO C[C@H]1C[N@H+](CCNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)CO1 ZINC001477550385 1069932519 /nfs/dbraw/zinc/93/25/19/1069932519.db2.gz ZLJXOMIISYLNNQ-HOTGVXAUSA-N 1 2 427.546 0.474 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)CO1 ZINC001477550386 1069932604 /nfs/dbraw/zinc/93/26/04/1069932604.db2.gz ZLJXOMIISYLNNQ-HZPDHXFCSA-N 1 2 427.546 0.474 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)CO1 ZINC001477550386 1069932600 /nfs/dbraw/zinc/93/26/00/1069932600.db2.gz 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CS(=O)(=O)C[C@H](NC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC001478321060 1069982538 /nfs/dbraw/zinc/98/25/38/1069982538.db2.gz XYCZEYMYLLUIPT-UXHICEINSA-N 1 2 438.594 0.868 20 0 ICADLO CS(=O)(=O)C[C@@H](NC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC001478321061 1069982640 /nfs/dbraw/zinc/98/26/40/1069982640.db2.gz XYCZEYMYLLUIPT-VQTJNVASSA-N 1 2 438.594 0.868 20 0 ICADLO CS(=O)(=O)C[C@@H](NC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC001478321062 1069982603 /nfs/dbraw/zinc/98/26/03/1069982603.db2.gz XYCZEYMYLLUIPT-WOJBJXKFSA-N 1 2 438.594 0.868 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)[C@@H](C)CO1 ZINC001478337757 1069983839 /nfs/dbraw/zinc/98/38/39/1069983839.db2.gz PHKXNPLGFYHAMA-IZZBFERCSA-N 1 2 429.565 0.994 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)[C@@H](C)CO1 ZINC001478337757 1069983835 /nfs/dbraw/zinc/98/38/35/1069983835.db2.gz PHKXNPLGFYHAMA-IZZBFERCSA-N 1 2 429.565 0.994 20 0 ICADLO 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C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001478372150 1069984958 /nfs/dbraw/zinc/98/49/58/1069984958.db2.gz OORJJGDKSBPIBP-XXBNENTESA-N 1 2 430.549 0.950 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001478372150 1069984954 /nfs/dbraw/zinc/98/49/54/1069984954.db2.gz OORJJGDKSBPIBP-XXBNENTESA-N 1 2 430.549 0.950 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001478386577 1069985648 /nfs/dbraw/zinc/98/56/48/1069985648.db2.gz GNWIUKODJPVXGS-UHFFFAOYSA-N 1 2 440.566 0.717 20 0 ICADLO O=C(NCc1cnc(N2CCOCC2)c(F)c1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001478395932 1069986406 /nfs/dbraw/zinc/98/64/06/1069986406.db2.gz NHRBPLGLXGCQQI-UHFFFAOYSA-N 1 2 429.500 0.917 20 0 ICADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC(O)(c4ncnn4C)C3)[nH+]c12 ZINC001478409946 1069986497 /nfs/dbraw/zinc/98/64/97/1069986497.db2.gz DAASWHHFQFLXBP-UHFFFAOYSA-N 1 2 434.298 0.989 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001478437365 1069988550 /nfs/dbraw/zinc/98/85/50/1069988550.db2.gz RHFGHRNCYWHBJQ-KRWDZBQOSA-N 1 2 446.595 0.634 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001478437365 1069988547 /nfs/dbraw/zinc/98/85/47/1069988547.db2.gz RHFGHRNCYWHBJQ-KRWDZBQOSA-N 1 2 446.595 0.634 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001478437366 1069988602 /nfs/dbraw/zinc/98/86/02/1069988602.db2.gz RHFGHRNCYWHBJQ-QGZVFWFLSA-N 1 2 446.595 0.634 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001478437366 1069988598 /nfs/dbraw/zinc/98/85/98/1069988598.db2.gz RHFGHRNCYWHBJQ-QGZVFWFLSA-N 1 2 446.595 0.634 20 0 ICADLO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CN(C)CC[N@H+]1C ZINC001478504385 1069991367 /nfs/dbraw/zinc/99/13/67/1069991367.db2.gz IIKLGYNJFHTJOK-DOMZBBRYSA-N 1 2 435.953 0.691 20 0 ICADLO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CN(C)CC[N@@H+]1C ZINC001478504385 1069991356 /nfs/dbraw/zinc/99/13/56/1069991356.db2.gz IIKLGYNJFHTJOK-DOMZBBRYSA-N 1 2 435.953 0.691 20 0 ICADLO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CN(C)CC[N@H+]1C ZINC001478504386 1069991439 /nfs/dbraw/zinc/99/14/39/1069991439.db2.gz IIKLGYNJFHTJOK-IUODEOHRSA-N 1 2 435.953 0.691 20 0 ICADLO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CN(C)CC[N@@H+]1C ZINC001478504386 1069991436 /nfs/dbraw/zinc/99/14/36/1069991436.db2.gz IIKLGYNJFHTJOK-IUODEOHRSA-N 1 2 435.953 0.691 20 0 ICADLO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CN(C)CC[N@H+]1C ZINC001478504387 1069991230 /nfs/dbraw/zinc/99/12/30/1069991230.db2.gz IIKLGYNJFHTJOK-SWLSCSKDSA-N 1 2 435.953 0.691 20 0 ICADLO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CN(C)CC[N@@H+]1C ZINC001478504387 1069991225 /nfs/dbraw/zinc/99/12/25/1069991225.db2.gz IIKLGYNJFHTJOK-SWLSCSKDSA-N 1 2 435.953 0.691 20 0 ICADLO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CN(C)CC[N@H+]1C ZINC001478504388 1069991337 /nfs/dbraw/zinc/99/13/37/1069991337.db2.gz IIKLGYNJFHTJOK-WFASDCNBSA-N 1 2 435.953 0.691 20 0 ICADLO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CN(C)CC[N@@H+]1C ZINC001478504388 1069991334 /nfs/dbraw/zinc/99/13/34/1069991334.db2.gz IIKLGYNJFHTJOK-WFASDCNBSA-N 1 2 435.953 0.691 20 0 ICADLO C[C@H](CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)[NH+]1CCN(C)CC1 ZINC001478511966 1069993005 /nfs/dbraw/zinc/99/30/05/1069993005.db2.gz VFTYLROMTZLGJL-CYBMUJFWSA-N 1 2 435.953 0.693 20 0 ICADLO C[C@@H](CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)[NH+]1CCN(C)CC1 ZINC001478511967 1069992928 /nfs/dbraw/zinc/99/29/28/1069992928.db2.gz VFTYLROMTZLGJL-ZDUSSCGKSA-N 1 2 435.953 0.693 20 0 ICADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001478556543 1069994801 /nfs/dbraw/zinc/99/48/01/1069994801.db2.gz LWLUQFUTFOMHGI-DUYRZMBNSA-N 1 2 428.530 0.012 20 0 ICADLO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001478556544 1069994783 /nfs/dbraw/zinc/99/47/83/1069994783.db2.gz LWLUQFUTFOMHGI-OIHWYFHOSA-N 1 2 428.530 0.012 20 0 ICADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001478556545 1069994707 /nfs/dbraw/zinc/99/47/07/1069994707.db2.gz LWLUQFUTFOMHGI-OMMUHCLJSA-N 1 2 428.530 0.012 20 0 ICADLO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001478556546 1069994758 /nfs/dbraw/zinc/99/47/58/1069994758.db2.gz LWLUQFUTFOMHGI-SSWGIJEZSA-N 1 2 428.530 0.012 20 0 ICADLO CCOC(=O)[C@]1(CNC(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CCCOC1 ZINC001478556749 1069994847 /nfs/dbraw/zinc/99/48/47/1069994847.db2.gz SIOGPAWWHDCHJH-SGDIKTSBSA-N 1 2 427.542 0.915 20 0 ICADLO CCOC(=O)[C@@]1(CNC(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CCCOC1 ZINC001478556750 1069994830 /nfs/dbraw/zinc/99/48/30/1069994830.db2.gz SIOGPAWWHDCHJH-TWMPVWRBSA-N 1 2 427.542 0.915 20 0 ICADLO CS(=O)(=O)Cc1nnc(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[nH]1 ZINC001478574676 1069995421 /nfs/dbraw/zinc/99/54/21/1069995421.db2.gz NKWFSHKUQHSINB-UHFFFAOYSA-N 1 2 438.476 0.954 20 0 ICADLO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)cc2)CC1 ZINC001478613336 1069999919 /nfs/dbraw/zinc/99/99/19/1069999919.db2.gz CUJNIMAWFRVHMY-UHFFFAOYSA-N 1 2 436.538 0.822 20 0 ICADLO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCS(=O)(=O)C2CCOCC2)CC1 ZINC001478672830 1070004850 /nfs/dbraw/zinc/00/48/50/1070004850.db2.gz AZGQKQVCCGPXMF-UHFFFAOYSA-N 1 2 430.571 0.096 20 0 ICADLO CSCC1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001478708331 1070008789 /nfs/dbraw/zinc/00/87/89/1070008789.db2.gz FYKSGEAJYULHFT-UHFFFAOYSA-N 1 2 433.644 0.728 20 0 ICADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001478714747 1070009128 /nfs/dbraw/zinc/00/91/28/1070009128.db2.gz BGAFRMVWELOUST-CYBMUJFWSA-N 1 2 427.914 0.985 20 0 ICADLO CS(=O)(=O)NC[C@H]1COCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001478714748 1070008991 /nfs/dbraw/zinc/00/89/91/1070008991.db2.gz BGAFRMVWELOUST-ZDUSSCGKSA-N 1 2 427.914 0.985 20 0 ICADLO O=C(Cn1cnnn1)N1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001478717429 1070009275 /nfs/dbraw/zinc/00/92/75/1070009275.db2.gz UANWGZOPNKPLOK-UHFFFAOYSA-N 1 2 429.872 0.566 20 0 ICADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCCOCCS(N)(=O)=O)[C@@H](C)C1 ZINC001478782117 1070014116 /nfs/dbraw/zinc/01/41/16/1070014116.db2.gz BOZMDTLIWQNNIT-INIZCTEOSA-N 1 2 428.555 0.606 20 0 ICADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCCOCCS(N)(=O)=O)[C@@H](C)C1 ZINC001478782117 1070014096 /nfs/dbraw/zinc/01/40/96/1070014096.db2.gz BOZMDTLIWQNNIT-INIZCTEOSA-N 1 2 428.555 0.606 20 0 ICADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCCOCCS(N)(=O)=O)[C@H](C)C1 ZINC001478782118 1070014380 /nfs/dbraw/zinc/01/43/80/1070014380.db2.gz BOZMDTLIWQNNIT-MRXNPFEDSA-N 1 2 428.555 0.606 20 0 ICADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCCOCCS(N)(=O)=O)[C@H](C)C1 ZINC001478782118 1070014368 /nfs/dbraw/zinc/01/43/68/1070014368.db2.gz BOZMDTLIWQNNIT-MRXNPFEDSA-N 1 2 428.555 0.606 20 0 ICADLO Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCCc4cn(C)c[nH+]4)CC3)C2=O)n(C)n1 ZINC001478783985 1070015060 /nfs/dbraw/zinc/01/50/60/1070015060.db2.gz LNKLGYFLZJKENZ-GOSISDBHSA-N 1 2 428.541 0.527 20 0 ICADLO Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCCc4cn(C)c[nH+]4)CC3)C2=O)n(C)n1 ZINC001478783990 1070014703 /nfs/dbraw/zinc/01/47/03/1070014703.db2.gz LNKLGYFLZJKENZ-SFHVURJKSA-N 1 2 428.541 0.527 20 0 ICADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)N(O)CCCN1C(=O)c2ccccc2C1=O ZINC001478787540 1070015577 /nfs/dbraw/zinc/01/55/77/1070015577.db2.gz MTLGAROBCOSDTO-UHFFFAOYSA-N 1 2 446.504 0.955 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3nc4ncccn4n3)C2)CC1 ZINC001478840319 1070020178 /nfs/dbraw/zinc/02/01/78/1070020178.db2.gz UZVHFBDAKJOEMN-HNNXBMFYSA-N 1 2 430.513 0.961 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3nc4ncccn4n3)C2)CC1 ZINC001478840320 1070020250 /nfs/dbraw/zinc/02/02/50/1070020250.db2.gz UZVHFBDAKJOEMN-OAHLLOKOSA-N 1 2 430.513 0.961 20 0 ICADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478901850 1070028396 /nfs/dbraw/zinc/02/83/96/1070028396.db2.gz WHHUHEUBIHBWTN-BPQIPLTHSA-N 1 2 431.603 0.446 20 0 ICADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478901852 1070028304 /nfs/dbraw/zinc/02/83/04/1070028304.db2.gz WHHUHEUBIHBWTN-KBAYOESNSA-N 1 2 431.603 0.446 20 0 ICADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478901853 1070028522 /nfs/dbraw/zinc/02/85/22/1070028522.db2.gz WHHUHEUBIHBWTN-NJAFHUGGSA-N 1 2 431.603 0.446 20 0 ICADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001478901855 1070028235 /nfs/dbraw/zinc/02/82/35/1070028235.db2.gz WHHUHEUBIHBWTN-NXHRZFHOSA-N 1 2 431.603 0.446 20 0 ICADLO O=C(NCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cn1 ZINC001478959726 1070036447 /nfs/dbraw/zinc/03/64/47/1070036447.db2.gz XNLBHKVTZKZQOE-AWEZNQCLSA-N 1 2 426.315 0.690 20 0 ICADLO O=C(NCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cn1 ZINC001478959827 1070036521 /nfs/dbraw/zinc/03/65/21/1070036521.db2.gz XNLBHKVTZKZQOE-CQSZACIVSA-N 1 2 426.315 0.690 20 0 ICADLO CN(CCOCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C(=O)OC(C)(C)C ZINC001478999431 1070040529 /nfs/dbraw/zinc/04/05/29/1070040529.db2.gz ZGKMCLQNMJXGNW-NRFANRHFSA-N 1 2 444.573 0.785 20 0 ICADLO CN(CCOCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C(=O)OC(C)(C)C ZINC001478999431 1070040515 /nfs/dbraw/zinc/04/05/15/1070040515.db2.gz ZGKMCLQNMJXGNW-NRFANRHFSA-N 1 2 444.573 0.785 20 0 ICADLO CN(CCOCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)C(=O)OC(C)(C)C ZINC001478999432 1070040681 /nfs/dbraw/zinc/04/06/81/1070040681.db2.gz ZGKMCLQNMJXGNW-OAQYLSRUSA-N 1 2 444.573 0.785 20 0 ICADLO CN(CCOCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)C(=O)OC(C)(C)C ZINC001478999432 1070040669 /nfs/dbraw/zinc/04/06/69/1070040669.db2.gz ZGKMCLQNMJXGNW-OAQYLSRUSA-N 1 2 444.573 0.785 20 0 ICADLO COc1cccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC001479010094 1070042062 /nfs/dbraw/zinc/04/20/62/1070042062.db2.gz YJJUWUTVETWBDL-UHFFFAOYSA-N 1 2 425.555 0.323 20 0 ICADLO NC(=O)CC1(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCCCC1 ZINC001479036197 1070043452 /nfs/dbraw/zinc/04/34/52/1070043452.db2.gz DSWJNFSMSBTGDU-UHFFFAOYSA-N 1 2 445.568 0.971 20 0 ICADLO NC(=O)CC1(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCCCC1 ZINC001479036197 1070043443 /nfs/dbraw/zinc/04/34/43/1070043443.db2.gz DSWJNFSMSBTGDU-UHFFFAOYSA-N 1 2 445.568 0.971 20 0 ICADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001479047975 1070044775 /nfs/dbraw/zinc/04/47/75/1070044775.db2.gz KDCBIEKAROKVBE-AOIWGVFYSA-N 1 2 433.553 0.558 20 0 ICADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001479047975 1070044764 /nfs/dbraw/zinc/04/47/64/1070044764.db2.gz KDCBIEKAROKVBE-AOIWGVFYSA-N 1 2 433.553 0.558 20 0 ICADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001479047977 1070043856 /nfs/dbraw/zinc/04/38/56/1070043856.db2.gz KDCBIEKAROKVBE-JENIJYKNSA-N 1 2 433.553 0.558 20 0 ICADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001479047977 1070043840 /nfs/dbraw/zinc/04/38/40/1070043840.db2.gz KDCBIEKAROKVBE-JENIJYKNSA-N 1 2 433.553 0.558 20 0 ICADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001479047979 1070044239 /nfs/dbraw/zinc/04/42/39/1070044239.db2.gz KDCBIEKAROKVBE-LNLFQRSKSA-N 1 2 433.553 0.558 20 0 ICADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001479047979 1070044225 /nfs/dbraw/zinc/04/42/25/1070044225.db2.gz KDCBIEKAROKVBE-LNLFQRSKSA-N 1 2 433.553 0.558 20 0 ICADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC001479047981 1070044356 /nfs/dbraw/zinc/04/43/56/1070044356.db2.gz KDCBIEKAROKVBE-ZIFCJYIRSA-N 1 2 433.553 0.558 20 0 ICADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC001479047981 1070044344 /nfs/dbraw/zinc/04/43/44/1070044344.db2.gz KDCBIEKAROKVBE-ZIFCJYIRSA-N 1 2 433.553 0.558 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC001479048177 1070044599 /nfs/dbraw/zinc/04/45/99/1070044599.db2.gz MMZPFVXNIXBMAH-LEWJYISDSA-N 1 2 429.565 0.882 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC001479048177 1070044581 /nfs/dbraw/zinc/04/45/81/1070044581.db2.gz MMZPFVXNIXBMAH-LEWJYISDSA-N 1 2 429.565 0.882 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC001479048180 1070044471 /nfs/dbraw/zinc/04/44/71/1070044471.db2.gz MMZPFVXNIXBMAH-NHCUHLMSSA-N 1 2 429.565 0.882 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC001479048180 1070044458 /nfs/dbraw/zinc/04/44/58/1070044458.db2.gz MMZPFVXNIXBMAH-NHCUHLMSSA-N 1 2 429.565 0.882 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC001479048182 1070044026 /nfs/dbraw/zinc/04/40/26/1070044026.db2.gz MMZPFVXNIXBMAH-RTWAWAEBSA-N 1 2 429.565 0.882 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC001479048182 1070044006 /nfs/dbraw/zinc/04/40/06/1070044006.db2.gz MMZPFVXNIXBMAH-RTWAWAEBSA-N 1 2 429.565 0.882 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC001479048183 1070044294 /nfs/dbraw/zinc/04/42/94/1070044294.db2.gz MMZPFVXNIXBMAH-SFTDATJTSA-N 1 2 429.565 0.882 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC001479048183 1070044286 /nfs/dbraw/zinc/04/42/86/1070044286.db2.gz MMZPFVXNIXBMAH-SFTDATJTSA-N 1 2 429.565 0.882 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1 ZINC001479048516 1070044701 /nfs/dbraw/zinc/04/47/01/1070044701.db2.gz OLEZSCLIQPZWAL-IBGZPJMESA-N 1 2 426.521 0.899 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1 ZINC001479048516 1070044683 /nfs/dbraw/zinc/04/46/83/1070044683.db2.gz OLEZSCLIQPZWAL-IBGZPJMESA-N 1 2 426.521 0.899 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1 ZINC001479048517 1070044119 /nfs/dbraw/zinc/04/41/19/1070044119.db2.gz OLEZSCLIQPZWAL-LJQANCHMSA-N 1 2 426.521 0.899 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1 ZINC001479048517 1070044099 /nfs/dbraw/zinc/04/40/99/1070044099.db2.gz OLEZSCLIQPZWAL-LJQANCHMSA-N 1 2 426.521 0.899 20 0 ICADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001479056520 1070045310 /nfs/dbraw/zinc/04/53/10/1070045310.db2.gz FCJCTIGGQUVSBR-UHFFFAOYSA-N 1 2 425.580 0.954 20 0 ICADLO CN(C)S(=O)(=O)N1CC(NC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC001479063243 1070046610 /nfs/dbraw/zinc/04/66/10/1070046610.db2.gz PKDPUEKSYGDMMR-UHFFFAOYSA-N 1 2 445.973 0.537 20 0 ICADLO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC001479070483 1070048419 /nfs/dbraw/zinc/04/84/19/1070048419.db2.gz GSPBWUQKEHGCLW-BZSNNMDCSA-N 1 2 434.537 0.985 20 0 ICADLO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC001479070484 1070048357 /nfs/dbraw/zinc/04/83/57/1070048357.db2.gz GSPBWUQKEHGCLW-SQNIBIBYSA-N 1 2 434.537 0.985 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCc2cnc(Br)cn2)CC1 ZINC001479080661 1070049015 /nfs/dbraw/zinc/04/90/15/1070049015.db2.gz LZWTWNFSVLLNHG-UHFFFAOYSA-N 1 2 432.286 0.948 20 0 ICADLO CNS(=O)(=O)CCCNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001479092307 1070050116 /nfs/dbraw/zinc/05/01/16/1070050116.db2.gz KPJDMKLPXZORTJ-HNNXBMFYSA-N 1 2 433.575 0.262 20 0 ICADLO CNS(=O)(=O)CCCNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001479092309 1070049913 /nfs/dbraw/zinc/04/99/13/1070049913.db2.gz KPJDMKLPXZORTJ-OAHLLOKOSA-N 1 2 433.575 0.262 20 0 ICADLO Cn1ncc(Br)c1CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001479109181 1070051679 /nfs/dbraw/zinc/05/16/79/1070051679.db2.gz CIYJQTNYCKFPMR-UHFFFAOYSA-N 1 2 434.302 0.891 20 0 ICADLO COc1cccc(OCC[NH+]2CCN(C(=O)NCC(C)(C)CS(N)(=O)=O)CC2)c1 ZINC001479125186 1070052370 /nfs/dbraw/zinc/05/23/70/1070052370.db2.gz PZJJZFAZTICLJB-UHFFFAOYSA-N 1 2 428.555 0.716 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC(n4cc(C(N)=O)nn4)CC3)C2)c1 ZINC001479132495 1070055487 /nfs/dbraw/zinc/05/54/87/1070055487.db2.gz DRXVHYWAXRIIJP-IBGZPJMESA-N 1 2 441.536 0.933 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC(n4cc(C(N)=O)nn4)CC3)C2)c1 ZINC001479132495 1070055473 /nfs/dbraw/zinc/05/54/73/1070055473.db2.gz DRXVHYWAXRIIJP-IBGZPJMESA-N 1 2 441.536 0.933 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC(n4cc(C(N)=O)nn4)CC3)C2)c1 ZINC001479132498 1070055408 /nfs/dbraw/zinc/05/54/08/1070055408.db2.gz DRXVHYWAXRIIJP-LJQANCHMSA-N 1 2 441.536 0.933 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC(n4cc(C(N)=O)nn4)CC3)C2)c1 ZINC001479132498 1070055396 /nfs/dbraw/zinc/05/53/96/1070055396.db2.gz DRXVHYWAXRIIJP-LJQANCHMSA-N 1 2 441.536 0.933 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@]34COCCN3C(=O)COC4)C2)c1 ZINC001479133009 1070055369 /nfs/dbraw/zinc/05/53/69/1070055369.db2.gz VJEQTHKTDGFUFA-DENIHFKCSA-N 1 2 432.521 0.123 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@]34COCCN3C(=O)COC4)C2)c1 ZINC001479133009 1070055357 /nfs/dbraw/zinc/05/53/57/1070055357.db2.gz VJEQTHKTDGFUFA-DENIHFKCSA-N 1 2 432.521 0.123 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@]34COCCN3C(=O)COC4)C2)c1 ZINC001479133010 1070055449 /nfs/dbraw/zinc/05/54/49/1070055449.db2.gz VJEQTHKTDGFUFA-KNQAVFIVSA-N 1 2 432.521 0.123 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@]34COCCN3C(=O)COC4)C2)c1 ZINC001479133010 1070055435 /nfs/dbraw/zinc/05/54/35/1070055435.db2.gz VJEQTHKTDGFUFA-KNQAVFIVSA-N 1 2 432.521 0.123 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@]34COCCN3C(=O)COC4)C2)c1 ZINC001479133011 1070055241 /nfs/dbraw/zinc/05/52/41/1070055241.db2.gz VJEQTHKTDGFUFA-SIKLNZKXSA-N 1 2 432.521 0.123 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@]34COCCN3C(=O)COC4)C2)c1 ZINC001479133011 1070055228 /nfs/dbraw/zinc/05/52/28/1070055228.db2.gz VJEQTHKTDGFUFA-SIKLNZKXSA-N 1 2 432.521 0.123 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@]34COCCN3C(=O)COC4)C2)c1 ZINC001479133012 1070055112 /nfs/dbraw/zinc/05/51/12/1070055112.db2.gz VJEQTHKTDGFUFA-UGKGYDQZSA-N 1 2 432.521 0.123 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@]34COCCN3C(=O)COC4)C2)c1 ZINC001479133012 1070055091 /nfs/dbraw/zinc/05/50/91/1070055091.db2.gz VJEQTHKTDGFUFA-UGKGYDQZSA-N 1 2 432.521 0.123 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCO[C@H](CS(C)(=O)=O)C3)C2)c1 ZINC001479133593 1070055887 /nfs/dbraw/zinc/05/58/87/1070055887.db2.gz KSXSYFOYMAEGBP-MOPGFXCFSA-N 1 2 425.551 0.651 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCO[C@H](CS(C)(=O)=O)C3)C2)c1 ZINC001479133593 1070055872 /nfs/dbraw/zinc/05/58/72/1070055872.db2.gz KSXSYFOYMAEGBP-MOPGFXCFSA-N 1 2 425.551 0.651 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCO[C@H](CS(C)(=O)=O)C3)C2)c1 ZINC001479133595 1070056015 /nfs/dbraw/zinc/05/60/15/1070056015.db2.gz KSXSYFOYMAEGBP-OALUTQOASA-N 1 2 425.551 0.651 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCO[C@H](CS(C)(=O)=O)C3)C2)c1 ZINC001479133595 1070056002 /nfs/dbraw/zinc/05/60/02/1070056002.db2.gz KSXSYFOYMAEGBP-OALUTQOASA-N 1 2 425.551 0.651 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)C2)c1 ZINC001479133596 1070056222 /nfs/dbraw/zinc/05/62/22/1070056222.db2.gz KSXSYFOYMAEGBP-RBUKOAKNSA-N 1 2 425.551 0.651 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)C2)c1 ZINC001479133596 1070056205 /nfs/dbraw/zinc/05/62/05/1070056205.db2.gz KSXSYFOYMAEGBP-RBUKOAKNSA-N 1 2 425.551 0.651 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)C2)c1 ZINC001479133598 1070056110 /nfs/dbraw/zinc/05/61/10/1070056110.db2.gz KSXSYFOYMAEGBP-RTBURBONSA-N 1 2 425.551 0.651 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)C2)c1 ZINC001479133598 1070056094 /nfs/dbraw/zinc/05/60/94/1070056094.db2.gz KSXSYFOYMAEGBP-RTBURBONSA-N 1 2 425.551 0.651 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCCc3nnc4c(=O)n(C)ccn34)C2)c1 ZINC001479134157 1070055846 /nfs/dbraw/zinc/05/58/46/1070055846.db2.gz QHLXFOQKCDDGQN-GOSISDBHSA-N 1 2 439.520 0.479 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCCc3nnc4c(=O)n(C)ccn34)C2)c1 ZINC001479134157 1070055832 /nfs/dbraw/zinc/05/58/32/1070055832.db2.gz QHLXFOQKCDDGQN-GOSISDBHSA-N 1 2 439.520 0.479 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCc3nnc4c(=O)n(C)ccn34)C2)c1 ZINC001479134158 1070056171 /nfs/dbraw/zinc/05/61/71/1070056171.db2.gz QHLXFOQKCDDGQN-SFHVURJKSA-N 1 2 439.520 0.479 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCc3nnc4c(=O)n(C)ccn34)C2)c1 ZINC001479134158 1070056160 /nfs/dbraw/zinc/05/61/60/1070056160.db2.gz QHLXFOQKCDDGQN-SFHVURJKSA-N 1 2 439.520 0.479 20 0 ICADLO CN(C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC001479134821 1070056345 /nfs/dbraw/zinc/05/63/45/1070056345.db2.gz JNTYKBWBDSXKRW-UHFFFAOYSA-N 1 2 432.587 0.858 20 0 ICADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC001479134930 1070055921 /nfs/dbraw/zinc/05/59/21/1070055921.db2.gz OFHHQQNBVGPYIQ-UHFFFAOYSA-N 1 2 437.585 0.742 20 0 ICADLO COCCO[C@H]1C[C@@H](CO)CN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC001479134976 1070055972 /nfs/dbraw/zinc/05/59/72/1070055972.db2.gz POYDKJIIRVRHBX-AEFFLSMTSA-N 1 2 429.558 0.848 20 0 ICADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC001479134977 1070056252 /nfs/dbraw/zinc/05/62/52/1070056252.db2.gz POYDKJIIRVRHBX-FUHWJXTLSA-N 1 2 429.558 0.848 20 0 ICADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC001479134978 1070055776 /nfs/dbraw/zinc/05/57/76/1070055776.db2.gz POYDKJIIRVRHBX-SJLPKXTDSA-N 1 2 429.558 0.848 20 0 ICADLO COCCO[C@H]1C[C@H](CO)CN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC001479134979 1070056047 /nfs/dbraw/zinc/05/60/47/1070056047.db2.gz POYDKJIIRVRHBX-WMZOPIPTSA-N 1 2 429.558 0.848 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCN(C(=O)N4CCOCC4)CC3)C2)cc1 ZINC001479136975 1070056809 /nfs/dbraw/zinc/05/68/09/1070056809.db2.gz JKMCZAZTQLGJPX-NRFANRHFSA-N 1 2 445.564 0.975 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCN(C(=O)N4CCOCC4)CC3)C2)cc1 ZINC001479136975 1070056794 /nfs/dbraw/zinc/05/67/94/1070056794.db2.gz JKMCZAZTQLGJPX-NRFANRHFSA-N 1 2 445.564 0.975 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCN(C(=O)N4CCOCC4)CC3)C2)cc1 ZINC001479136983 1070056630 /nfs/dbraw/zinc/05/66/30/1070056630.db2.gz JKMCZAZTQLGJPX-OAQYLSRUSA-N 1 2 445.564 0.975 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCN(C(=O)N4CCOCC4)CC3)C2)cc1 ZINC001479136983 1070056619 /nfs/dbraw/zinc/05/66/19/1070056619.db2.gz JKMCZAZTQLGJPX-OAQYLSRUSA-N 1 2 445.564 0.975 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)C2)cc1 ZINC001479138131 1070056968 /nfs/dbraw/zinc/05/69/68/1070056968.db2.gz KQHFSRGINSIFJS-IBGZPJMESA-N 1 2 439.582 0.329 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)C2)cc1 ZINC001479138131 1070056952 /nfs/dbraw/zinc/05/69/52/1070056952.db2.gz KQHFSRGINSIFJS-IBGZPJMESA-N 1 2 439.582 0.329 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)C2)cc1 ZINC001479138132 1070056860 /nfs/dbraw/zinc/05/68/60/1070056860.db2.gz KQHFSRGINSIFJS-LJQANCHMSA-N 1 2 439.582 0.329 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)C2)cc1 ZINC001479138132 1070056846 /nfs/dbraw/zinc/05/68/46/1070056846.db2.gz KQHFSRGINSIFJS-LJQANCHMSA-N 1 2 439.582 0.329 20 0 ICADLO C[N@H+]1CCN(C(=O)NC[C@@]23COC(=O)N2CCOC3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001479150304 1070058238 /nfs/dbraw/zinc/05/82/38/1070058238.db2.gz RGWKJHXETGKEHQ-AUUYWEPGSA-N 1 2 427.502 0.058 20 0 ICADLO C[N@@H+]1CCN(C(=O)NC[C@@]23COC(=O)N2CCOC3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001479150304 1070058223 /nfs/dbraw/zinc/05/82/23/1070058223.db2.gz RGWKJHXETGKEHQ-AUUYWEPGSA-N 1 2 427.502 0.058 20 0 ICADLO C[N@H+]1CCN(C(=O)NC[C@@]23COC(=O)N2CCOC3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001479150305 1070058014 /nfs/dbraw/zinc/05/80/14/1070058014.db2.gz RGWKJHXETGKEHQ-IFXJQAMLSA-N 1 2 427.502 0.058 20 0 ICADLO C[N@@H+]1CCN(C(=O)NC[C@@]23COC(=O)N2CCOC3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001479150305 1070058003 /nfs/dbraw/zinc/05/80/03/1070058003.db2.gz RGWKJHXETGKEHQ-IFXJQAMLSA-N 1 2 427.502 0.058 20 0 ICADLO C[N@H+]1CCN(C(=O)NC[C@]23COC(=O)N2CCOC3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001479150306 1070059039 /nfs/dbraw/zinc/05/90/39/1070059039.db2.gz RGWKJHXETGKEHQ-KUHUBIRLSA-N 1 2 427.502 0.058 20 0 ICADLO C[N@@H+]1CCN(C(=O)NC[C@]23COC(=O)N2CCOC3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001479150306 1070059025 /nfs/dbraw/zinc/05/90/25/1070059025.db2.gz RGWKJHXETGKEHQ-KUHUBIRLSA-N 1 2 427.502 0.058 20 0 ICADLO C[N@H+]1CCN(C(=O)NC[C@]23COC(=O)N2CCOC3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001479150307 1070058898 /nfs/dbraw/zinc/05/88/98/1070058898.db2.gz RGWKJHXETGKEHQ-LIRRHRJNSA-N 1 2 427.502 0.058 20 0 ICADLO C[N@@H+]1CCN(C(=O)NC[C@]23COC(=O)N2CCOC3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001479150307 1070058881 /nfs/dbraw/zinc/05/88/81/1070058881.db2.gz RGWKJHXETGKEHQ-LIRRHRJNSA-N 1 2 427.502 0.058 20 0 ICADLO Cn1c[nH+]cc1CNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001479152563 1070059086 /nfs/dbraw/zinc/05/90/86/1070059086.db2.gz NKFKMYWFCFRODC-UHFFFAOYSA-N 1 2 435.529 0.920 20 0 ICADLO C[N@H+]1CCN(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001479156155 1070059569 /nfs/dbraw/zinc/05/95/69/1070059569.db2.gz HUUDNROXVJBBGD-CYBMUJFWSA-N 1 2 436.513 0.605 20 0 ICADLO C[N@@H+]1CCN(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001479156155 1070059550 /nfs/dbraw/zinc/05/95/50/1070059550.db2.gz HUUDNROXVJBBGD-CYBMUJFWSA-N 1 2 436.513 0.605 20 0 ICADLO C[N@H+]1CCN(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001479156157 1070059967 /nfs/dbraw/zinc/05/99/67/1070059967.db2.gz HUUDNROXVJBBGD-ZDUSSCGKSA-N 1 2 436.513 0.605 20 0 ICADLO C[N@@H+]1CCN(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001479156157 1070059957 /nfs/dbraw/zinc/05/99/57/1070059957.db2.gz HUUDNROXVJBBGD-ZDUSSCGKSA-N 1 2 436.513 0.605 20 0 ICADLO CCS(=O)(=O)c1ccccc1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001479281147 1070070286 /nfs/dbraw/zinc/07/02/86/1070070286.db2.gz BJSUZJYTPJEOIR-NRFANRHFSA-N 1 2 439.578 0.938 20 0 ICADLO CCS(=O)(=O)c1ccccc1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001479281147 1070070268 /nfs/dbraw/zinc/07/02/68/1070070268.db2.gz BJSUZJYTPJEOIR-NRFANRHFSA-N 1 2 439.578 0.938 20 0 ICADLO CCS(=O)(=O)c1ccccc1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001479281151 1070070413 /nfs/dbraw/zinc/07/04/13/1070070413.db2.gz BJSUZJYTPJEOIR-OAQYLSRUSA-N 1 2 439.578 0.938 20 0 ICADLO CCS(=O)(=O)c1ccccc1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001479281151 1070070396 /nfs/dbraw/zinc/07/03/96/1070070396.db2.gz BJSUZJYTPJEOIR-OAQYLSRUSA-N 1 2 439.578 0.938 20 0 ICADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)C1 ZINC001479282475 1070070843 /nfs/dbraw/zinc/07/08/43/1070070843.db2.gz CQQVWHOVEVBXKB-GOSISDBHSA-N 1 2 426.521 0.817 20 0 ICADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)C1 ZINC001479282476 1070070724 /nfs/dbraw/zinc/07/07/24/1070070724.db2.gz CQQVWHOVEVBXKB-SFHVURJKSA-N 1 2 426.521 0.817 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCN1Cc2ccccc2OCC1=O ZINC001479292371 1070073700 /nfs/dbraw/zinc/07/37/00/1070073700.db2.gz DGMIOHPXOJMGSV-JOCHJYFZSA-N 1 2 432.521 0.323 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCN1Cc2ccccc2OCC1=O ZINC001479292371 1070073694 /nfs/dbraw/zinc/07/36/94/1070073694.db2.gz DGMIOHPXOJMGSV-JOCHJYFZSA-N 1 2 432.521 0.323 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCN1Cc2ccccc2OCC1=O ZINC001479292375 1070073860 /nfs/dbraw/zinc/07/38/60/1070073860.db2.gz DGMIOHPXOJMGSV-QFIPXVFZSA-N 1 2 432.521 0.323 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCN1Cc2ccccc2OCC1=O ZINC001479292375 1070073837 /nfs/dbraw/zinc/07/38/37/1070073837.db2.gz DGMIOHPXOJMGSV-QFIPXVFZSA-N 1 2 432.521 0.323 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001479310478 1070074199 /nfs/dbraw/zinc/07/41/99/1070074199.db2.gz JSZIDOURILCWCE-UHFFFAOYSA-N 1 2 434.603 0.617 20 0 ICADLO CSC1CCC(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001479318507 1070075874 /nfs/dbraw/zinc/07/58/74/1070075874.db2.gz YHHXPLWOHTXRTK-UHFFFAOYSA-N 1 2 433.644 0.728 20 0 ICADLO COC[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@@H]1CCCOC1 ZINC001479344326 1070076921 /nfs/dbraw/zinc/07/69/21/1070076921.db2.gz NJSLWHYINONPRJ-MSOLQXFVSA-N 1 2 434.541 0.586 20 0 ICADLO COC[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@@H]1CCCOC1 ZINC001479344326 1070076902 /nfs/dbraw/zinc/07/69/02/1070076902.db2.gz NJSLWHYINONPRJ-MSOLQXFVSA-N 1 2 434.541 0.586 20 0 ICADLO COC[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@@H]1CCCOC1 ZINC001479344327 1070077237 /nfs/dbraw/zinc/07/72/37/1070077237.db2.gz NJSLWHYINONPRJ-QZTJIDSGSA-N 1 2 434.541 0.586 20 0 ICADLO COC[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@@H]1CCCOC1 ZINC001479344327 1070077219 /nfs/dbraw/zinc/07/72/19/1070077219.db2.gz NJSLWHYINONPRJ-QZTJIDSGSA-N 1 2 434.541 0.586 20 0 ICADLO COC[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@H]1CCCOC1 ZINC001479344328 1070077543 /nfs/dbraw/zinc/07/75/43/1070077543.db2.gz NJSLWHYINONPRJ-ROUUACIJSA-N 1 2 434.541 0.586 20 0 ICADLO COC[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@H]1CCCOC1 ZINC001479344328 1070077522 /nfs/dbraw/zinc/07/75/22/1070077522.db2.gz NJSLWHYINONPRJ-ROUUACIJSA-N 1 2 434.541 0.586 20 0 ICADLO COC[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@H]1CCCOC1 ZINC001479344329 1070077364 /nfs/dbraw/zinc/07/73/64/1070077364.db2.gz NJSLWHYINONPRJ-ZWKOTPCHSA-N 1 2 434.541 0.586 20 0 ICADLO COC[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@H]1CCCOC1 ZINC001479344329 1070077344 /nfs/dbraw/zinc/07/73/44/1070077344.db2.gz NJSLWHYINONPRJ-ZWKOTPCHSA-N 1 2 434.541 0.586 20 0 ICADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC001479354359 1070077112 /nfs/dbraw/zinc/07/71/12/1070077112.db2.gz DUYBRCGBUKTQFQ-UHFFFAOYSA-N 1 2 432.568 0.857 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3nnc4c(=O)[nH]ccn34)C2)CC1 ZINC001479356617 1070078242 /nfs/dbraw/zinc/07/82/42/1070078242.db2.gz WJQKJCREFZEGPC-AWEZNQCLSA-N 1 2 446.512 0.254 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3nnc4c(=O)[nH]ccn34)C2)CC1 ZINC001479356618 1070078090 /nfs/dbraw/zinc/07/80/90/1070078090.db2.gz WJQKJCREFZEGPC-CQSZACIVSA-N 1 2 446.512 0.254 20 0 ICADLO Cc1nc(N2CCN(C(=O)NCc3cn(CC(F)(F)F)c(=O)[nH]c3=O)CC2)cc[nH+]1 ZINC001479366360 1070079089 /nfs/dbraw/zinc/07/90/89/1070079089.db2.gz WBYIXWNXQOJVIQ-UHFFFAOYSA-N 1 2 427.387 0.641 20 0 ICADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC001479372782 1070079872 /nfs/dbraw/zinc/07/98/72/1070079872.db2.gz MOGCNILFYPYKJM-KRWDZBQOSA-N 1 2 443.570 0.808 20 0 ICADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC001479372784 1070079696 /nfs/dbraw/zinc/07/96/96/1070079696.db2.gz MOGCNILFYPYKJM-QGZVFWFLSA-N 1 2 443.570 0.808 20 0 ICADLO O=C(CN1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1)Nc1ccc(F)cc1 ZINC001479391440 1070082010 /nfs/dbraw/zinc/08/20/10/1070082010.db2.gz FQNTUJKYPFZLJW-UHFFFAOYSA-N 1 2 435.500 0.540 20 0 ICADLO O=C(CN1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1)Nc1ccc(F)cc1 ZINC001479391440 1070081993 /nfs/dbraw/zinc/08/19/93/1070081993.db2.gz FQNTUJKYPFZLJW-UHFFFAOYSA-N 1 2 435.500 0.540 20 0 ICADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCn2ncc(I)c2C1 ZINC001479391572 1070081886 /nfs/dbraw/zinc/08/18/86/1070081886.db2.gz GHXUKFVFEMECAG-UHFFFAOYSA-N 1 2 447.277 0.462 20 0 ICADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCn2ncc(I)c2C1 ZINC001479391572 1070081870 /nfs/dbraw/zinc/08/18/70/1070081870.db2.gz GHXUKFVFEMECAG-UHFFFAOYSA-N 1 2 447.277 0.462 20 0 ICADLO CS(=O)(=O)c1ccc([C@H]2CN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CCO2)cc1 ZINC001479391755 1070081435 /nfs/dbraw/zinc/08/14/35/1070081435.db2.gz JCGSHTDFTZMYFP-GOSISDBHSA-N 1 2 439.534 0.622 20 0 ICADLO CS(=O)(=O)c1ccc([C@H]2CN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CCO2)cc1 ZINC001479391755 1070081422 /nfs/dbraw/zinc/08/14/22/1070081422.db2.gz JCGSHTDFTZMYFP-GOSISDBHSA-N 1 2 439.534 0.622 20 0 ICADLO CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CCO2)cc1 ZINC001479391756 1070081630 /nfs/dbraw/zinc/08/16/30/1070081630.db2.gz JCGSHTDFTZMYFP-SFHVURJKSA-N 1 2 439.534 0.622 20 0 ICADLO CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CCO2)cc1 ZINC001479391756 1070081609 /nfs/dbraw/zinc/08/16/09/1070081609.db2.gz JCGSHTDFTZMYFP-SFHVURJKSA-N 1 2 439.534 0.622 20 0 ICADLO COc1cc(OC)cc(C(=O)N2CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)c1 ZINC001479392189 1070083054 /nfs/dbraw/zinc/08/30/54/1070083054.db2.gz NVPCFJXRGRRCHD-UHFFFAOYSA-N 1 2 448.520 0.620 20 0 ICADLO COc1cc(OC)cc(C(=O)N2CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)c1 ZINC001479392189 1070083040 /nfs/dbraw/zinc/08/30/40/1070083040.db2.gz NVPCFJXRGRRCHD-UHFFFAOYSA-N 1 2 448.520 0.620 20 0 ICADLO CC(C)O[C@]1(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCOC1 ZINC001479395695 1070083005 /nfs/dbraw/zinc/08/30/05/1070083005.db2.gz JJQDEXHFKWOARI-NRFANRHFSA-N 1 2 434.541 0.729 20 0 ICADLO CC(C)O[C@]1(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCOC1 ZINC001479395695 1070082987 /nfs/dbraw/zinc/08/29/87/1070082987.db2.gz JJQDEXHFKWOARI-NRFANRHFSA-N 1 2 434.541 0.729 20 0 ICADLO CC(C)O[C@@]1(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCOC1 ZINC001479395698 1070083091 /nfs/dbraw/zinc/08/30/91/1070083091.db2.gz JJQDEXHFKWOARI-OAQYLSRUSA-N 1 2 434.541 0.729 20 0 ICADLO CC(C)O[C@@]1(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCOC1 ZINC001479395698 1070083078 /nfs/dbraw/zinc/08/30/78/1070083078.db2.gz JJQDEXHFKWOARI-OAQYLSRUSA-N 1 2 434.541 0.729 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)CC1 ZINC001479434135 1070086043 /nfs/dbraw/zinc/08/60/43/1070086043.db2.gz WHTJYVXDYHOOFJ-IAGOWNOFSA-N 1 2 430.546 0.611 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)[C@@H](C)CO1 ZINC001479499585 1070088303 /nfs/dbraw/zinc/08/83/03/1070088303.db2.gz NITYYXZTBSSTNY-ARFHVFGLSA-N 1 2 439.557 0.615 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)[C@@H](C)CO1 ZINC001479499585 1070088283 /nfs/dbraw/zinc/08/82/83/1070088283.db2.gz NITYYXZTBSSTNY-ARFHVFGLSA-N 1 2 439.557 0.615 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)[C@H](C)CO1 ZINC001479499586 1070088383 /nfs/dbraw/zinc/08/83/83/1070088383.db2.gz NITYYXZTBSSTNY-BZUAXINKSA-N 1 2 439.557 0.615 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)[C@H](C)CO1 ZINC001479499586 1070088370 /nfs/dbraw/zinc/08/83/70/1070088370.db2.gz NITYYXZTBSSTNY-BZUAXINKSA-N 1 2 439.557 0.615 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)[C@H](C)CO1 ZINC001479499587 1070088570 /nfs/dbraw/zinc/08/85/70/1070088570.db2.gz NITYYXZTBSSTNY-OAGGEKHMSA-N 1 2 439.557 0.615 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)[C@H](C)CO1 ZINC001479499587 1070088558 /nfs/dbraw/zinc/08/85/58/1070088558.db2.gz NITYYXZTBSSTNY-OAGGEKHMSA-N 1 2 439.557 0.615 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)[C@@H](C)CO1 ZINC001479499588 1070088188 /nfs/dbraw/zinc/08/81/88/1070088188.db2.gz NITYYXZTBSSTNY-XHSDSOJGSA-N 1 2 439.557 0.615 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)[C@@H](C)CO1 ZINC001479499588 1070088172 /nfs/dbraw/zinc/08/81/72/1070088172.db2.gz NITYYXZTBSSTNY-XHSDSOJGSA-N 1 2 439.557 0.615 20 0 ICADLO COc1cc([C@@H](C)NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1S(C)(=O)=O ZINC001479581852 1070094393 /nfs/dbraw/zinc/09/43/93/1070094393.db2.gz ALVFJZGCWFAVRQ-GDBMZVCRSA-N 1 2 429.539 0.494 20 0 ICADLO COc1cc([C@H](C)NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1S(C)(=O)=O ZINC001479581854 1070094231 /nfs/dbraw/zinc/09/42/31/1070094231.db2.gz ALVFJZGCWFAVRQ-GOEBONIOSA-N 1 2 429.539 0.494 20 0 ICADLO COc1cc([C@H](C)NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1S(C)(=O)=O ZINC001479581856 1070094552 /nfs/dbraw/zinc/09/45/52/1070094552.db2.gz ALVFJZGCWFAVRQ-HOCLYGCPSA-N 1 2 429.539 0.494 20 0 ICADLO COc1cc([C@@H](C)NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1S(C)(=O)=O ZINC001479581858 1070094431 /nfs/dbraw/zinc/09/44/31/1070094431.db2.gz ALVFJZGCWFAVRQ-ZBFHGGJFSA-N 1 2 429.539 0.494 20 0 ICADLO C[C@@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001479593887 1070095398 /nfs/dbraw/zinc/09/53/98/1070095398.db2.gz BXYDEAYSETZDPK-APWZRJJASA-N 1 2 438.598 0.524 20 0 ICADLO C[C@@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001479593887 1070095377 /nfs/dbraw/zinc/09/53/77/1070095377.db2.gz BXYDEAYSETZDPK-APWZRJJASA-N 1 2 438.598 0.524 20 0 ICADLO C[C@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001479593888 1070095516 /nfs/dbraw/zinc/09/55/16/1070095516.db2.gz BXYDEAYSETZDPK-LPHOPBHVSA-N 1 2 438.598 0.524 20 0 ICADLO C[C@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001479593888 1070095501 /nfs/dbraw/zinc/09/55/01/1070095501.db2.gz BXYDEAYSETZDPK-LPHOPBHVSA-N 1 2 438.598 0.524 20 0 ICADLO C[C@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001479593889 1070095156 /nfs/dbraw/zinc/09/51/56/1070095156.db2.gz BXYDEAYSETZDPK-QFBILLFUSA-N 1 2 438.598 0.524 20 0 ICADLO C[C@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001479593889 1070095141 /nfs/dbraw/zinc/09/51/41/1070095141.db2.gz BXYDEAYSETZDPK-QFBILLFUSA-N 1 2 438.598 0.524 20 0 ICADLO C[C@@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001479593890 1070095267 /nfs/dbraw/zinc/09/52/67/1070095267.db2.gz BXYDEAYSETZDPK-VQIMIIECSA-N 1 2 438.598 0.524 20 0 ICADLO C[C@@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001479593890 1070095253 /nfs/dbraw/zinc/09/52/53/1070095253.db2.gz BXYDEAYSETZDPK-VQIMIIECSA-N 1 2 438.598 0.524 20 0 ICADLO C[C@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001479594993 1070094951 /nfs/dbraw/zinc/09/49/51/1070094951.db2.gz IHQYLGJJDYVUJE-GHTZIAJQSA-N 1 2 428.581 0.537 20 0 ICADLO C[C@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001479594993 1070094941 /nfs/dbraw/zinc/09/49/41/1070094941.db2.gz IHQYLGJJDYVUJE-GHTZIAJQSA-N 1 2 428.581 0.537 20 0 ICADLO C[C@@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001479594994 1070095078 /nfs/dbraw/zinc/09/50/78/1070095078.db2.gz IHQYLGJJDYVUJE-NQIIRXRSSA-N 1 2 428.581 0.537 20 0 ICADLO C[C@@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001479594994 1070095067 /nfs/dbraw/zinc/09/50/67/1070095067.db2.gz IHQYLGJJDYVUJE-NQIIRXRSSA-N 1 2 428.581 0.537 20 0 ICADLO C[C@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001479594996 1070095666 /nfs/dbraw/zinc/09/56/66/1070095666.db2.gz IHQYLGJJDYVUJE-RXVVDRJESA-N 1 2 428.581 0.537 20 0 ICADLO C[C@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001479594996 1070095652 /nfs/dbraw/zinc/09/56/52/1070095652.db2.gz IHQYLGJJDYVUJE-RXVVDRJESA-N 1 2 428.581 0.537 20 0 ICADLO C[C@@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001479594999 1070095020 /nfs/dbraw/zinc/09/50/20/1070095020.db2.gz IHQYLGJJDYVUJE-WIYYLYMNSA-N 1 2 428.581 0.537 20 0 ICADLO C[C@@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001479594999 1070095010 /nfs/dbraw/zinc/09/50/10/1070095010.db2.gz IHQYLGJJDYVUJE-WIYYLYMNSA-N 1 2 428.581 0.537 20 0 ICADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001479596445 1070096196 /nfs/dbraw/zinc/09/61/96/1070096196.db2.gz LZGSOOZMBBLLRJ-MSOLQXFVSA-N 1 2 432.635 0.315 20 0 ICADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001479596445 1070096182 /nfs/dbraw/zinc/09/61/82/1070096182.db2.gz LZGSOOZMBBLLRJ-MSOLQXFVSA-N 1 2 432.635 0.315 20 0 ICADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001479596446 1070096487 /nfs/dbraw/zinc/09/64/87/1070096487.db2.gz LZGSOOZMBBLLRJ-QZTJIDSGSA-N 1 2 432.635 0.315 20 0 ICADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001479596446 1070096464 /nfs/dbraw/zinc/09/64/64/1070096464.db2.gz LZGSOOZMBBLLRJ-QZTJIDSGSA-N 1 2 432.635 0.315 20 0 ICADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001479596447 1070096916 /nfs/dbraw/zinc/09/69/16/1070096916.db2.gz LZGSOOZMBBLLRJ-ROUUACIJSA-N 1 2 432.635 0.315 20 0 ICADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001479596447 1070096903 /nfs/dbraw/zinc/09/69/03/1070096903.db2.gz LZGSOOZMBBLLRJ-ROUUACIJSA-N 1 2 432.635 0.315 20 0 ICADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001479596448 1070096064 /nfs/dbraw/zinc/09/60/64/1070096064.db2.gz LZGSOOZMBBLLRJ-ZWKOTPCHSA-N 1 2 432.635 0.315 20 0 ICADLO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001479596448 1070096048 /nfs/dbraw/zinc/09/60/48/1070096048.db2.gz LZGSOOZMBBLLRJ-ZWKOTPCHSA-N 1 2 432.635 0.315 20 0 ICADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001479597175 1070095965 /nfs/dbraw/zinc/09/59/65/1070095965.db2.gz PAFUGPJCAUOAAX-DOTOQJQBSA-N 1 2 444.001 0.990 20 0 ICADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001479597175 1070095950 /nfs/dbraw/zinc/09/59/50/1070095950.db2.gz PAFUGPJCAUOAAX-DOTOQJQBSA-N 1 2 444.001 0.990 20 0 ICADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001479597176 1070096393 /nfs/dbraw/zinc/09/63/93/1070096393.db2.gz PAFUGPJCAUOAAX-NVXWUHKLSA-N 1 2 444.001 0.990 20 0 ICADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001479597176 1070096381 /nfs/dbraw/zinc/09/63/81/1070096381.db2.gz PAFUGPJCAUOAAX-NVXWUHKLSA-N 1 2 444.001 0.990 20 0 ICADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001479597365 1070096260 /nfs/dbraw/zinc/09/62/60/1070096260.db2.gz PAFUGPJCAUOAAX-RDJZCZTQSA-N 1 2 444.001 0.990 20 0 ICADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001479597365 1070096250 /nfs/dbraw/zinc/09/62/50/1070096250.db2.gz PAFUGPJCAUOAAX-RDJZCZTQSA-N 1 2 444.001 0.990 20 0 ICADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001479597370 1070096761 /nfs/dbraw/zinc/09/67/61/1070096761.db2.gz PAFUGPJCAUOAAX-WBVHZDCISA-N 1 2 444.001 0.990 20 0 ICADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001479597370 1070096747 /nfs/dbraw/zinc/09/67/47/1070096747.db2.gz PAFUGPJCAUOAAX-WBVHZDCISA-N 1 2 444.001 0.990 20 0 ICADLO C[C@@H](NC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001479598444 1070096319 /nfs/dbraw/zinc/09/63/19/1070096319.db2.gz WIFRJFVIQHURQQ-APWZRJJASA-N 1 2 427.553 0.797 20 0 ICADLO C[C@@H](NC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001479598444 1070096307 /nfs/dbraw/zinc/09/63/07/1070096307.db2.gz WIFRJFVIQHURQQ-APWZRJJASA-N 1 2 427.553 0.797 20 0 ICADLO C[C@H](NC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001479598445 1070096646 /nfs/dbraw/zinc/09/66/46/1070096646.db2.gz WIFRJFVIQHURQQ-LPHOPBHVSA-N 1 2 427.553 0.797 20 0 ICADLO C[C@H](NC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001479598445 1070096634 /nfs/dbraw/zinc/09/66/34/1070096634.db2.gz WIFRJFVIQHURQQ-LPHOPBHVSA-N 1 2 427.553 0.797 20 0 ICADLO C[C@H](NC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001479598446 1070096847 /nfs/dbraw/zinc/09/68/47/1070096847.db2.gz WIFRJFVIQHURQQ-QFBILLFUSA-N 1 2 427.553 0.797 20 0 ICADLO C[C@H](NC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001479598446 1070096833 /nfs/dbraw/zinc/09/68/33/1070096833.db2.gz WIFRJFVIQHURQQ-QFBILLFUSA-N 1 2 427.553 0.797 20 0 ICADLO C[C@@H](NC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001479598447 1070096565 /nfs/dbraw/zinc/09/65/65/1070096565.db2.gz WIFRJFVIQHURQQ-VQIMIIECSA-N 1 2 427.553 0.797 20 0 ICADLO C[C@@H](NC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001479598447 1070096551 /nfs/dbraw/zinc/09/65/51/1070096551.db2.gz WIFRJFVIQHURQQ-VQIMIIECSA-N 1 2 427.553 0.797 20 0 ICADLO C[C@H](CNC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O)[NH+]1CCN(C)CC1 ZINC001479603045 1070097496 /nfs/dbraw/zinc/09/74/96/1070097496.db2.gz ZADHMZRUUOHWBJ-BXUZGUMPSA-N 1 2 425.331 0.642 20 0 ICADLO C[C@@H](CNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)[NH+]1CCN(C)CC1 ZINC001479603046 1070097318 /nfs/dbraw/zinc/09/73/18/1070097318.db2.gz ZADHMZRUUOHWBJ-FZMZJTMJSA-N 1 2 425.331 0.642 20 0 ICADLO C[C@H](CNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)[NH+]1CCN(C)CC1 ZINC001479603047 1070097580 /nfs/dbraw/zinc/09/75/80/1070097580.db2.gz ZADHMZRUUOHWBJ-RISCZKNCSA-N 1 2 425.331 0.642 20 0 ICADLO C[C@@H](CNC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O)[NH+]1CCN(C)CC1 ZINC001479603048 1070097386 /nfs/dbraw/zinc/09/73/86/1070097386.db2.gz ZADHMZRUUOHWBJ-SMDDNHRTSA-N 1 2 425.331 0.642 20 0 ICADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCNC(=O)C(C)C)CC2)on1 ZINC001493158213 1070103418 /nfs/dbraw/zinc/10/34/18/1070103418.db2.gz WCXUREPIZFFPSL-KRWDZBQOSA-N 1 2 444.540 0.620 20 0 ICADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCNC(=O)C(C)C)CC2)on1 ZINC001493158222 1070103464 /nfs/dbraw/zinc/10/34/64/1070103464.db2.gz WCXUREPIZFFPSL-QGZVFWFLSA-N 1 2 444.540 0.620 20 0 ICADLO Cc1cc(C[NH+]2CCN(c3nnc(CC4CC4)n3CCS(=O)(=O)N(C)C)CC2)on1 ZINC001493158631 1070103318 /nfs/dbraw/zinc/10/33/18/1070103318.db2.gz ZIFJSVBNJSTYJE-UHFFFAOYSA-N 1 2 437.570 0.741 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001493305647 1070111159 /nfs/dbraw/zinc/11/11/59/1070111159.db2.gz PCAPZTCZDLLLFK-BRWVUGGUSA-N 1 2 444.602 0.472 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001493305648 1070111396 /nfs/dbraw/zinc/11/13/96/1070111396.db2.gz PCAPZTCZDLLLFK-IKGGRYGDSA-N 1 2 444.602 0.472 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001493305649 1070111207 /nfs/dbraw/zinc/11/12/07/1070111207.db2.gz PCAPZTCZDLLLFK-IXDOHACOSA-N 1 2 444.602 0.472 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001493305650 1070111237 /nfs/dbraw/zinc/11/12/37/1070111237.db2.gz PCAPZTCZDLLLFK-ZACQAIPSSA-N 1 2 444.602 0.472 20 0 ICADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001494120149 1070127503 /nfs/dbraw/zinc/12/75/03/1070127503.db2.gz NKGVNWLXASYZNV-CVEARBPZSA-N 1 2 447.565 0.744 20 0 ICADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001494120150 1070127573 /nfs/dbraw/zinc/12/75/73/1070127573.db2.gz NKGVNWLXASYZNV-HOTGVXAUSA-N 1 2 447.565 0.744 20 0 ICADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001494120151 1070127686 /nfs/dbraw/zinc/12/76/86/1070127686.db2.gz NKGVNWLXASYZNV-HZPDHXFCSA-N 1 2 447.565 0.744 20 0 ICADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001494120152 1070127640 /nfs/dbraw/zinc/12/76/40/1070127640.db2.gz NKGVNWLXASYZNV-JKSUJKDBSA-N 1 2 447.565 0.744 20 0 ICADLO C[C@H]1CN(C)C(=O)CN1c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001494127912 1070129145 /nfs/dbraw/zinc/12/91/45/1070129145.db2.gz ICXNRERCHFCBGD-HNNXBMFYSA-N 1 2 426.525 0.577 20 0 ICADLO C[C@@H]1CN(C)C(=O)CN1c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001494127915 1070129198 /nfs/dbraw/zinc/12/91/98/1070129198.db2.gz ICXNRERCHFCBGD-OAHLLOKOSA-N 1 2 426.525 0.577 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+]1CCOCC1 ZINC001494193113 1070135032 /nfs/dbraw/zinc/13/50/32/1070135032.db2.gz MSDCZPIQMSJFIQ-FPCVCCKLSA-N 1 2 446.643 0.939 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+]1CCOCC1 ZINC001494193115 1070134918 /nfs/dbraw/zinc/13/49/18/1070134918.db2.gz MSDCZPIQMSJFIQ-JJXSEGSLSA-N 1 2 446.643 0.939 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCOCC1 ZINC001494193118 1070134879 /nfs/dbraw/zinc/13/48/79/1070134879.db2.gz MSDCZPIQMSJFIQ-JONQDZQNSA-N 1 2 446.643 0.939 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCOCC1 ZINC001494193120 1070134894 /nfs/dbraw/zinc/13/48/94/1070134894.db2.gz MSDCZPIQMSJFIQ-WCVJEAGWSA-N 1 2 446.643 0.939 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001494194315 1070135536 /nfs/dbraw/zinc/13/55/36/1070135536.db2.gz VMIXGIWNJGZLGO-KFWWJZLASA-N 1 2 432.616 0.551 20 0 ICADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001494194316 1070135431 /nfs/dbraw/zinc/13/54/31/1070135431.db2.gz VMIXGIWNJGZLGO-RBSFLKMASA-N 1 2 432.616 0.551 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001494194317 1070135599 /nfs/dbraw/zinc/13/55/99/1070135599.db2.gz VMIXGIWNJGZLGO-RRFJBIMHSA-N 1 2 432.616 0.551 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001494194318 1070135513 /nfs/dbraw/zinc/13/55/13/1070135513.db2.gz VMIXGIWNJGZLGO-ZNMIVQPWSA-N 1 2 432.616 0.551 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001494601781 1070168132 /nfs/dbraw/zinc/16/81/32/1070168132.db2.gz ARJXWCBUHPAHOJ-AEFFLSMTSA-N 1 2 436.557 0.711 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001494601781 1070168124 /nfs/dbraw/zinc/16/81/24/1070168124.db2.gz ARJXWCBUHPAHOJ-AEFFLSMTSA-N 1 2 436.557 0.711 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001494601782 1070168225 /nfs/dbraw/zinc/16/82/25/1070168225.db2.gz ARJXWCBUHPAHOJ-FUHWJXTLSA-N 1 2 436.557 0.711 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001494601782 1070168218 /nfs/dbraw/zinc/16/82/18/1070168218.db2.gz ARJXWCBUHPAHOJ-FUHWJXTLSA-N 1 2 436.557 0.711 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001494601783 1070168083 /nfs/dbraw/zinc/16/80/83/1070168083.db2.gz ARJXWCBUHPAHOJ-SJLPKXTDSA-N 1 2 436.557 0.711 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001494601783 1070168078 /nfs/dbraw/zinc/16/80/78/1070168078.db2.gz ARJXWCBUHPAHOJ-SJLPKXTDSA-N 1 2 436.557 0.711 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001494601784 1070168065 /nfs/dbraw/zinc/16/80/65/1070168065.db2.gz ARJXWCBUHPAHOJ-WMZOPIPTSA-N 1 2 436.557 0.711 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001494601784 1070168062 /nfs/dbraw/zinc/16/80/62/1070168062.db2.gz ARJXWCBUHPAHOJ-WMZOPIPTSA-N 1 2 436.557 0.711 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001494602097 1070168247 /nfs/dbraw/zinc/16/82/47/1070168247.db2.gz DMDKDFZCBCSAEP-KBPBESRZSA-N 1 2 446.474 0.844 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001494602097 1070168239 /nfs/dbraw/zinc/16/82/39/1070168239.db2.gz DMDKDFZCBCSAEP-KBPBESRZSA-N 1 2 446.474 0.844 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001494602099 1070168182 /nfs/dbraw/zinc/16/81/82/1070168182.db2.gz DMDKDFZCBCSAEP-KGLIPLIRSA-N 1 2 446.474 0.844 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001494602099 1070168178 /nfs/dbraw/zinc/16/81/78/1070168178.db2.gz DMDKDFZCBCSAEP-KGLIPLIRSA-N 1 2 446.474 0.844 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001494602220 1070168106 /nfs/dbraw/zinc/16/81/06/1070168106.db2.gz DMDKDFZCBCSAEP-UONOGXRCSA-N 1 2 446.474 0.844 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001494602220 1070168102 /nfs/dbraw/zinc/16/81/02/1070168102.db2.gz DMDKDFZCBCSAEP-UONOGXRCSA-N 1 2 446.474 0.844 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001494602222 1070169003 /nfs/dbraw/zinc/16/90/03/1070169003.db2.gz DMDKDFZCBCSAEP-ZIAGYGMSSA-N 1 2 446.474 0.844 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001494602222 1070168999 /nfs/dbraw/zinc/16/89/99/1070168999.db2.gz DMDKDFZCBCSAEP-ZIAGYGMSSA-N 1 2 446.474 0.844 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C ZINC001494603027 1070169090 /nfs/dbraw/zinc/16/90/90/1070169090.db2.gz QMAMCUCSXONJQK-INIZCTEOSA-N 1 2 447.584 0.224 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C ZINC001494603027 1070169086 /nfs/dbraw/zinc/16/90/86/1070169086.db2.gz QMAMCUCSXONJQK-INIZCTEOSA-N 1 2 447.584 0.224 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C ZINC001494603029 1070169200 /nfs/dbraw/zinc/16/92/00/1070169200.db2.gz QMAMCUCSXONJQK-MRXNPFEDSA-N 1 2 447.584 0.224 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C ZINC001494603029 1070169194 /nfs/dbraw/zinc/16/91/94/1070169194.db2.gz QMAMCUCSXONJQK-MRXNPFEDSA-N 1 2 447.584 0.224 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494603435 1070169162 /nfs/dbraw/zinc/16/91/62/1070169162.db2.gz JOEXTGPQFTZRGU-DLBZAZTESA-N 1 2 442.586 0.322 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494603435 1070169158 /nfs/dbraw/zinc/16/91/58/1070169158.db2.gz JOEXTGPQFTZRGU-DLBZAZTESA-N 1 2 442.586 0.322 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494603436 1070169066 /nfs/dbraw/zinc/16/90/66/1070169066.db2.gz JOEXTGPQFTZRGU-IAGOWNOFSA-N 1 2 442.586 0.322 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494603436 1070169062 /nfs/dbraw/zinc/16/90/62/1070169062.db2.gz JOEXTGPQFTZRGU-IAGOWNOFSA-N 1 2 442.586 0.322 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494603437 1070168985 /nfs/dbraw/zinc/16/89/85/1070168985.db2.gz JOEXTGPQFTZRGU-IRXDYDNUSA-N 1 2 442.586 0.322 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494603437 1070168982 /nfs/dbraw/zinc/16/89/82/1070168982.db2.gz JOEXTGPQFTZRGU-IRXDYDNUSA-N 1 2 442.586 0.322 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494603438 1070169223 /nfs/dbraw/zinc/16/92/23/1070169223.db2.gz JOEXTGPQFTZRGU-SJORKVTESA-N 1 2 442.586 0.322 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494603438 1070169217 /nfs/dbraw/zinc/16/92/17/1070169217.db2.gz JOEXTGPQFTZRGU-SJORKVTESA-N 1 2 442.586 0.322 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494603510 1070169109 /nfs/dbraw/zinc/16/91/09/1070169109.db2.gz KBGSCPOUZCTUBC-INIZCTEOSA-N 1 2 426.587 0.738 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494603510 1070169102 /nfs/dbraw/zinc/16/91/02/1070169102.db2.gz KBGSCPOUZCTUBC-INIZCTEOSA-N 1 2 426.587 0.738 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494603514 1070169187 /nfs/dbraw/zinc/16/91/87/1070169187.db2.gz KBGSCPOUZCTUBC-MRXNPFEDSA-N 1 2 426.587 0.738 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494603514 1070169182 /nfs/dbraw/zinc/16/91/82/1070169182.db2.gz KBGSCPOUZCTUBC-MRXNPFEDSA-N 1 2 426.587 0.738 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 ZINC001494604381 1070169925 /nfs/dbraw/zinc/16/99/25/1070169925.db2.gz NNIOTFBXXQCNAD-CABCVRRESA-N 1 2 427.500 0.337 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 ZINC001494604381 1070169921 /nfs/dbraw/zinc/16/99/21/1070169921.db2.gz NNIOTFBXXQCNAD-CABCVRRESA-N 1 2 427.500 0.337 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 ZINC001494604382 1070169885 /nfs/dbraw/zinc/16/98/85/1070169885.db2.gz NNIOTFBXXQCNAD-GJZGRUSLSA-N 1 2 427.500 0.337 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 ZINC001494604382 1070169878 /nfs/dbraw/zinc/16/98/78/1070169878.db2.gz NNIOTFBXXQCNAD-GJZGRUSLSA-N 1 2 427.500 0.337 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 ZINC001494604383 1070170018 /nfs/dbraw/zinc/17/00/18/1070170018.db2.gz NNIOTFBXXQCNAD-HUUCEWRRSA-N 1 2 427.500 0.337 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 ZINC001494604383 1070170014 /nfs/dbraw/zinc/17/00/14/1070170014.db2.gz NNIOTFBXXQCNAD-HUUCEWRRSA-N 1 2 427.500 0.337 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 ZINC001494604384 1070169973 /nfs/dbraw/zinc/16/99/73/1070169973.db2.gz NNIOTFBXXQCNAD-LSDHHAIUSA-N 1 2 427.500 0.337 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 ZINC001494604384 1070169970 /nfs/dbraw/zinc/16/99/70/1070169970.db2.gz NNIOTFBXXQCNAD-LSDHHAIUSA-N 1 2 427.500 0.337 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494605093 1070170000 /nfs/dbraw/zinc/17/00/00/1070170000.db2.gz ROXLVAPUMLSNDW-KRWDZBQOSA-N 1 2 440.614 0.813 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494605093 1070169998 /nfs/dbraw/zinc/16/99/98/1070169998.db2.gz ROXLVAPUMLSNDW-KRWDZBQOSA-N 1 2 440.614 0.813 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494605094 1070169988 /nfs/dbraw/zinc/16/99/88/1070169988.db2.gz ROXLVAPUMLSNDW-QGZVFWFLSA-N 1 2 440.614 0.813 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001494605094 1070169985 /nfs/dbraw/zinc/16/99/85/1070169985.db2.gz ROXLVAPUMLSNDW-QGZVFWFLSA-N 1 2 440.614 0.813 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494605189 1070170083 /nfs/dbraw/zinc/17/00/83/1070170083.db2.gz SYTFNOMJLRUWQR-INIZCTEOSA-N 1 2 426.587 0.423 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494605189 1070170077 /nfs/dbraw/zinc/17/00/77/1070170077.db2.gz SYTFNOMJLRUWQR-INIZCTEOSA-N 1 2 426.587 0.423 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494605190 1070170036 /nfs/dbraw/zinc/17/00/36/1070170036.db2.gz SYTFNOMJLRUWQR-MRXNPFEDSA-N 1 2 426.587 0.423 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001494605190 1070170029 /nfs/dbraw/zinc/17/00/29/1070170029.db2.gz SYTFNOMJLRUWQR-MRXNPFEDSA-N 1 2 426.587 0.423 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001494605563 1070169942 /nfs/dbraw/zinc/16/99/42/1070169942.db2.gz ZYPKFYGWENBFAR-CRAIPNDOSA-N 1 2 441.536 0.685 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001494605563 1070169938 /nfs/dbraw/zinc/16/99/38/1070169938.db2.gz ZYPKFYGWENBFAR-CRAIPNDOSA-N 1 2 441.536 0.685 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001494605564 1070169958 /nfs/dbraw/zinc/16/99/58/1070169958.db2.gz ZYPKFYGWENBFAR-MAUKXSAKSA-N 1 2 441.536 0.685 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001494605564 1070169955 /nfs/dbraw/zinc/16/99/55/1070169955.db2.gz ZYPKFYGWENBFAR-MAUKXSAKSA-N 1 2 441.536 0.685 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001494605565 1070170067 /nfs/dbraw/zinc/17/00/67/1070170067.db2.gz ZYPKFYGWENBFAR-QAPCUYQASA-N 1 2 441.536 0.685 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001494605565 1070170064 /nfs/dbraw/zinc/17/00/64/1070170064.db2.gz ZYPKFYGWENBFAR-QAPCUYQASA-N 1 2 441.536 0.685 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001494605566 1070170643 /nfs/dbraw/zinc/17/06/43/1070170643.db2.gz ZYPKFYGWENBFAR-YJBOKZPZSA-N 1 2 441.536 0.685 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001494605566 1070170640 /nfs/dbraw/zinc/17/06/40/1070170640.db2.gz ZYPKFYGWENBFAR-YJBOKZPZSA-N 1 2 441.536 0.685 20 0 ICADLO CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001494803527 1070182368 /nfs/dbraw/zinc/18/23/68/1070182368.db2.gz ARXDMKMLLVLOCP-JXFKEZNVSA-N 1 2 449.581 0.766 20 0 ICADLO CC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001494803528 1070182438 /nfs/dbraw/zinc/18/24/38/1070182438.db2.gz ARXDMKMLLVLOCP-OXJNMPFZSA-N 1 2 449.581 0.766 20 0 ICADLO CC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001494803529 1070182325 /nfs/dbraw/zinc/18/23/25/1070182325.db2.gz ARXDMKMLLVLOCP-OXQOHEQNSA-N 1 2 449.581 0.766 20 0 ICADLO CC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001494803530 1070182289 /nfs/dbraw/zinc/18/22/89/1070182289.db2.gz ARXDMKMLLVLOCP-UZLBHIALSA-N 1 2 449.581 0.766 20 0 ICADLO CC[C@H](C)c1nnc(N2CCN(CCOC)C(=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495843558 1070200960 /nfs/dbraw/zinc/20/09/60/1070200960.db2.gz HRGZBGVFMRMKDX-KRWDZBQOSA-N 1 2 435.573 0.251 20 0 ICADLO CC[C@@H](C)c1nnc(N2CCN(CCOC)C(=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495843559 1070201739 /nfs/dbraw/zinc/20/17/39/1070201739.db2.gz HRGZBGVFMRMKDX-QGZVFWFLSA-N 1 2 435.573 0.251 20 0 ICADLO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001496166231 1070207074 /nfs/dbraw/zinc/20/70/74/1070207074.db2.gz TYLGQDLLLVCHLS-ARFHVFGLSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001496166231 1070207063 /nfs/dbraw/zinc/20/70/63/1070207063.db2.gz TYLGQDLLLVCHLS-ARFHVFGLSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001496166232 1070206871 /nfs/dbraw/zinc/20/68/71/1070206871.db2.gz TYLGQDLLLVCHLS-HRCADAONSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001496166232 1070206863 /nfs/dbraw/zinc/20/68/63/1070206863.db2.gz TYLGQDLLLVCHLS-HRCADAONSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001496166233 1070207109 /nfs/dbraw/zinc/20/71/09/1070207109.db2.gz TYLGQDLLLVCHLS-JYJNAYRXSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001496166233 1070207093 /nfs/dbraw/zinc/20/70/93/1070207093.db2.gz TYLGQDLLLVCHLS-JYJNAYRXSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001496166234 1070207293 /nfs/dbraw/zinc/20/72/93/1070207293.db2.gz TYLGQDLLLVCHLS-XHSDSOJGSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001496166234 1070207278 /nfs/dbraw/zinc/20/72/78/1070207278.db2.gz TYLGQDLLLVCHLS-XHSDSOJGSA-N 1 2 447.627 0.534 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001496750662 1070218053 /nfs/dbraw/zinc/21/80/53/1070218053.db2.gz GCXNMCJCNFNESM-INIZCTEOSA-N 1 2 449.600 0.974 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001496750662 1070218044 /nfs/dbraw/zinc/21/80/44/1070218044.db2.gz GCXNMCJCNFNESM-INIZCTEOSA-N 1 2 449.600 0.974 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001496750667 1070218020 /nfs/dbraw/zinc/21/80/20/1070218020.db2.gz GCXNMCJCNFNESM-MRXNPFEDSA-N 1 2 449.600 0.974 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001496750667 1070218011 /nfs/dbraw/zinc/21/80/11/1070218011.db2.gz GCXNMCJCNFNESM-MRXNPFEDSA-N 1 2 449.600 0.974 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CCS(=O)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001497114675 1070233485 /nfs/dbraw/zinc/23/34/85/1070233485.db2.gz WWYDDIVEHYTFHE-INIZCTEOSA-N 1 2 440.614 0.734 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CCS(=O)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001497114677 1070233296 /nfs/dbraw/zinc/23/32/96/1070233296.db2.gz WWYDDIVEHYTFHE-MRXNPFEDSA-N 1 2 440.614 0.734 20 0 ICADLO CCc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)C)CC2)no1 ZINC001498342878 1070247902 /nfs/dbraw/zinc/24/79/02/1070247902.db2.gz GKMLDANUTKKROP-HNNXBMFYSA-N 1 2 437.570 0.899 20 0 ICADLO CCc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)C)CC2)no1 ZINC001498342885 1070247842 /nfs/dbraw/zinc/24/78/42/1070247842.db2.gz GKMLDANUTKKROP-OAHLLOKOSA-N 1 2 437.570 0.899 20 0 ICADLO CCc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001498616000 1070252457 /nfs/dbraw/zinc/25/24/57/1070252457.db2.gz ZOHJOHKCJUJZPH-INIZCTEOSA-N 1 2 443.556 0.636 20 0 ICADLO CCc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001498616000 1070252445 /nfs/dbraw/zinc/25/24/45/1070252445.db2.gz ZOHJOHKCJUJZPH-INIZCTEOSA-N 1 2 443.556 0.636 20 0 ICADLO CCc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001498616001 1070252345 /nfs/dbraw/zinc/25/23/45/1070252345.db2.gz ZOHJOHKCJUJZPH-MRXNPFEDSA-N 1 2 443.556 0.636 20 0 ICADLO CCc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001498616001 1070252337 /nfs/dbraw/zinc/25/23/37/1070252337.db2.gz ZOHJOHKCJUJZPH-MRXNPFEDSA-N 1 2 443.556 0.636 20 0 ICADLO CCc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001499054589 1070258451 /nfs/dbraw/zinc/25/84/51/1070258451.db2.gz XNBVQTXONBFQOM-INIZCTEOSA-N 1 2 426.587 0.471 20 0 ICADLO CCc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001499054592 1070258370 /nfs/dbraw/zinc/25/83/70/1070258370.db2.gz XNBVQTXONBFQOM-MRXNPFEDSA-N 1 2 426.587 0.471 20 0 ICADLO CCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001499107197 1070259539 /nfs/dbraw/zinc/25/95/39/1070259539.db2.gz XKRHAEOUDCEHNV-UHFFFAOYSA-N 1 2 449.581 0.592 20 0 ICADLO CCc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499120169 1070261598 /nfs/dbraw/zinc/26/15/98/1070261598.db2.gz ULYOJUMRNMKCBT-UHFFFAOYSA-N 1 2 440.552 0.362 20 0 ICADLO CCc1nnc(N2CCN(C(=O)COC)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001499125175 1070262405 /nfs/dbraw/zinc/26/24/05/1070262405.db2.gz UBDVERFDSDZEOP-KRWDZBQOSA-N 1 2 443.552 0.804 20 0 ICADLO CCc1nnc(N2CCN(C(=O)COC)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001499125176 1070262464 /nfs/dbraw/zinc/26/24/64/1070262464.db2.gz UBDVERFDSDZEOP-QGZVFWFLSA-N 1 2 443.552 0.804 20 0 ICADLO CCc1nnc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1CC(=O)NC(C)C ZINC001499145417 1070264588 /nfs/dbraw/zinc/26/45/88/1070264588.db2.gz HUPGWBXDQZWUIY-UHFFFAOYSA-N 1 2 443.556 0.318 20 0 ICADLO CCc1nnc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1CC(=O)NC(C)C ZINC001499145417 1070264578 /nfs/dbraw/zinc/26/45/78/1070264578.db2.gz HUPGWBXDQZWUIY-UHFFFAOYSA-N 1 2 443.556 0.318 20 0 ICADLO CCc1nnc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1CCC(=O)N(C)C ZINC001499146502 1070264365 /nfs/dbraw/zinc/26/43/65/1070264365.db2.gz ZCHXYFSLSIHIIF-UHFFFAOYSA-N 1 2 443.556 0.272 20 0 ICADLO CCc1nnc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1CCC(=O)N(C)C ZINC001499146502 1070264349 /nfs/dbraw/zinc/26/43/49/1070264349.db2.gz ZCHXYFSLSIHIIF-UHFFFAOYSA-N 1 2 443.556 0.272 20 0 ICADLO CCc1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499146515 1070264469 /nfs/dbraw/zinc/26/44/69/1070264469.db2.gz ZMOSUZQXIWVBEC-UHFFFAOYSA-N 1 2 443.527 0.997 20 0 ICADLO CCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCCN(CC)S(C)(=O)=O ZINC001499159303 1070265088 /nfs/dbraw/zinc/26/50/88/1070265088.db2.gz GXZPXTSKIGQKAW-UHFFFAOYSA-N 1 2 436.586 0.937 20 0 ICADLO CCc1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499160018 1070265336 /nfs/dbraw/zinc/26/53/36/1070265336.db2.gz UGXDIRSRDMOZOI-UHFFFAOYSA-N 1 2 427.557 0.430 20 0 ICADLO CCc1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001499170022 1070265620 /nfs/dbraw/zinc/26/56/20/1070265620.db2.gz DKKHZJHVTJTFJU-UHFFFAOYSA-N 1 2 433.601 0.696 20 0 ICADLO CCc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001499173453 1070266959 /nfs/dbraw/zinc/26/69/59/1070266959.db2.gz XRDLVAYGSCBBDJ-IBGZPJMESA-N 1 2 433.601 0.696 20 0 ICADLO CCc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001499173454 1070266861 /nfs/dbraw/zinc/26/68/61/1070266861.db2.gz XRDLVAYGSCBBDJ-LJQANCHMSA-N 1 2 433.601 0.696 20 0 ICADLO CCc1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001499193275 1070268516 /nfs/dbraw/zinc/26/85/16/1070268516.db2.gz DKSMSSUQONFHRS-NRFANRHFSA-N 1 2 433.578 0.755 20 0 ICADLO CCc1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001499193277 1070268616 /nfs/dbraw/zinc/26/86/16/1070268616.db2.gz DKSMSSUQONFHRS-OAQYLSRUSA-N 1 2 433.578 0.755 20 0 ICADLO CCc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001499193861 1070268542 /nfs/dbraw/zinc/26/85/42/1070268542.db2.gz KOTXZLULRJZYCX-IBGZPJMESA-N 1 2 439.607 0.816 20 0 ICADLO CCc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001499193862 1070268393 /nfs/dbraw/zinc/26/83/93/1070268393.db2.gz KOTXZLULRJZYCX-LJQANCHMSA-N 1 2 439.607 0.816 20 0 ICADLO CCc1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001499195570 1070268573 /nfs/dbraw/zinc/26/85/73/1070268573.db2.gz IHNBICBTEIKJBW-KRWDZBQOSA-N 1 2 443.552 0.804 20 0 ICADLO CCc1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001499195571 1070268716 /nfs/dbraw/zinc/26/87/16/1070268716.db2.gz IHNBICBTEIKJBW-QGZVFWFLSA-N 1 2 443.552 0.804 20 0 ICADLO CCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001499200212 1070269802 /nfs/dbraw/zinc/26/98/02/1070269802.db2.gz XGTDMACBFGCCEH-INIZCTEOSA-N 1 2 449.581 0.591 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001499288149 1070272703 /nfs/dbraw/zinc/27/27/03/1070272703.db2.gz IHBLHGYNRCRCLN-DLBZAZTESA-N 1 2 435.573 0.488 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001499288150 1070272663 /nfs/dbraw/zinc/27/26/63/1070272663.db2.gz IHBLHGYNRCRCLN-IAGOWNOFSA-N 1 2 435.573 0.488 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001499288151 1070272557 /nfs/dbraw/zinc/27/25/57/1070272557.db2.gz IHBLHGYNRCRCLN-IRXDYDNUSA-N 1 2 435.573 0.488 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001499288152 1070272474 /nfs/dbraw/zinc/27/24/74/1070272474.db2.gz IHBLHGYNRCRCLN-SJORKVTESA-N 1 2 435.573 0.488 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001499288499 1070273194 /nfs/dbraw/zinc/27/31/94/1070273194.db2.gz PDQADEOVNUINEW-INIZCTEOSA-N 1 2 426.525 0.738 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001499288500 1070273238 /nfs/dbraw/zinc/27/32/38/1070273238.db2.gz PDQADEOVNUINEW-MRXNPFEDSA-N 1 2 426.525 0.738 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1CC(C)(C)[NH+]1CCOCC1 ZINC001499293604 1070274431 /nfs/dbraw/zinc/27/44/31/1070274431.db2.gz IFEYBOKGBYBVND-DLBZAZTESA-N 1 2 438.573 0.828 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CC(C)(C)[NH+]1CCOCC1 ZINC001499293606 1070274283 /nfs/dbraw/zinc/27/42/83/1070274283.db2.gz IFEYBOKGBYBVND-IAGOWNOFSA-N 1 2 438.573 0.828 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1CC(C)(C)[NH+]1CCOCC1 ZINC001499293609 1070274404 /nfs/dbraw/zinc/27/44/04/1070274404.db2.gz IFEYBOKGBYBVND-IRXDYDNUSA-N 1 2 438.573 0.828 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CC(C)(C)[NH+]1CCOCC1 ZINC001499293612 1070274320 /nfs/dbraw/zinc/27/43/20/1070274320.db2.gz IFEYBOKGBYBVND-SJORKVTESA-N 1 2 438.573 0.828 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1CC1([NH+]2CCOCC2)CC1 ZINC001499296966 1070274895 /nfs/dbraw/zinc/27/48/95/1070274895.db2.gz ZWPMYFNQXKFHGN-DLBZAZTESA-N 1 2 436.557 0.582 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CC1([NH+]2CCOCC2)CC1 ZINC001499296967 1070275240 /nfs/dbraw/zinc/27/52/40/1070275240.db2.gz ZWPMYFNQXKFHGN-IAGOWNOFSA-N 1 2 436.557 0.582 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1CC1([NH+]2CCOCC2)CC1 ZINC001499296968 1070275529 /nfs/dbraw/zinc/27/55/29/1070275529.db2.gz ZWPMYFNQXKFHGN-IRXDYDNUSA-N 1 2 436.557 0.582 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CC1([NH+]2CCOCC2)CC1 ZINC001499296969 1070275732 /nfs/dbraw/zinc/27/57/32/1070275732.db2.gz ZWPMYFNQXKFHGN-SJORKVTESA-N 1 2 436.557 0.582 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccsc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499320106 1070280058 /nfs/dbraw/zinc/28/00/58/1070280058.db2.gz CUILEERGXUZTEG-GOSISDBHSA-N 1 2 445.593 0.809 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccsc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499320107 1070280239 /nfs/dbraw/zinc/28/02/39/1070280239.db2.gz CUILEERGXUZTEG-SFHVURJKSA-N 1 2 445.593 0.809 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499324602 1070281933 /nfs/dbraw/zinc/28/19/33/1070281933.db2.gz ZNYTXGVBPVJLEO-IBGZPJMESA-N 1 2 440.552 0.143 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499324605 1070281845 /nfs/dbraw/zinc/28/18/45/1070281845.db2.gz ZNYTXGVBPVJLEO-LJQANCHMSA-N 1 2 440.552 0.143 20 0 ICADLO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001499640284 1070288287 /nfs/dbraw/zinc/28/82/87/1070288287.db2.gz CPWFZQWXCVEVBP-HNNXBMFYSA-N 1 2 430.575 0.008 20 0 ICADLO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001499640284 1070288275 /nfs/dbraw/zinc/28/82/75/1070288275.db2.gz CPWFZQWXCVEVBP-HNNXBMFYSA-N 1 2 430.575 0.008 20 0 ICADLO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001499640286 1070288194 /nfs/dbraw/zinc/28/81/94/1070288194.db2.gz CPWFZQWXCVEVBP-OAHLLOKOSA-N 1 2 430.575 0.008 20 0 ICADLO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001499640286 1070288184 /nfs/dbraw/zinc/28/81/84/1070288184.db2.gz CPWFZQWXCVEVBP-OAHLLOKOSA-N 1 2 430.575 0.008 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001499724195 1070293448 /nfs/dbraw/zinc/29/34/48/1070293448.db2.gz KMPVLLHIQBOZLE-CVEARBPZSA-N 1 2 442.586 0.211 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001499724195 1070293438 /nfs/dbraw/zinc/29/34/38/1070293438.db2.gz KMPVLLHIQBOZLE-CVEARBPZSA-N 1 2 442.586 0.211 20 0 ICADLO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001499724196 1070293294 /nfs/dbraw/zinc/29/32/94/1070293294.db2.gz KMPVLLHIQBOZLE-HOTGVXAUSA-N 1 2 442.586 0.211 20 0 ICADLO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001499724196 1070293280 /nfs/dbraw/zinc/29/32/80/1070293280.db2.gz KMPVLLHIQBOZLE-HOTGVXAUSA-N 1 2 442.586 0.211 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001499724197 1070293140 /nfs/dbraw/zinc/29/31/40/1070293140.db2.gz KMPVLLHIQBOZLE-HZPDHXFCSA-N 1 2 442.586 0.211 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001499724197 1070293131 /nfs/dbraw/zinc/29/31/31/1070293131.db2.gz KMPVLLHIQBOZLE-HZPDHXFCSA-N 1 2 442.586 0.211 20 0 ICADLO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001499724198 1070293592 /nfs/dbraw/zinc/29/35/92/1070293592.db2.gz KMPVLLHIQBOZLE-JKSUJKDBSA-N 1 2 442.586 0.211 20 0 ICADLO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001499724198 1070293571 /nfs/dbraw/zinc/29/35/71/1070293571.db2.gz KMPVLLHIQBOZLE-JKSUJKDBSA-N 1 2 442.586 0.211 20 0 ICADLO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001499774298 1070297483 /nfs/dbraw/zinc/29/74/83/1070297483.db2.gz ATPXOUMHFIXBIW-GOSISDBHSA-N 1 2 433.557 0.180 20 0 ICADLO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001499774299 1070297850 /nfs/dbraw/zinc/29/78/50/1070297850.db2.gz ATPXOUMHFIXBIW-SFHVURJKSA-N 1 2 433.557 0.180 20 0 ICADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001499883899 1070299832 /nfs/dbraw/zinc/29/98/32/1070299832.db2.gz BTLCDRIUDZYVJP-KSZLIROESA-N 1 2 447.584 0.835 20 0 ICADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001499883900 1070299774 /nfs/dbraw/zinc/29/97/74/1070299774.db2.gz BTLCDRIUDZYVJP-KURKYZTESA-N 1 2 447.584 0.835 20 0 ICADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001499883901 1070300031 /nfs/dbraw/zinc/30/00/31/1070300031.db2.gz BTLCDRIUDZYVJP-KZNAEPCWSA-N 1 2 447.584 0.835 20 0 ICADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001499883902 1070300140 /nfs/dbraw/zinc/30/01/40/1070300140.db2.gz BTLCDRIUDZYVJP-RCCFBDPRSA-N 1 2 447.584 0.835 20 0 ICADLO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001500257610 1070309579 /nfs/dbraw/zinc/30/95/79/1070309579.db2.gz GPRGPJVRKCKHHA-KRWDZBQOSA-N 1 2 439.586 0.660 20 0 ICADLO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001500257610 1070309560 /nfs/dbraw/zinc/30/95/60/1070309560.db2.gz GPRGPJVRKCKHHA-KRWDZBQOSA-N 1 2 439.586 0.660 20 0 ICADLO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001500257614 1070309658 /nfs/dbraw/zinc/30/96/58/1070309658.db2.gz GPRGPJVRKCKHHA-QGZVFWFLSA-N 1 2 439.586 0.660 20 0 ICADLO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001500257614 1070309637 /nfs/dbraw/zinc/30/96/37/1070309637.db2.gz GPRGPJVRKCKHHA-QGZVFWFLSA-N 1 2 439.586 0.660 20 0 ICADLO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001500416791 1070312897 /nfs/dbraw/zinc/31/28/97/1070312897.db2.gz ACJSAAKDHQNNOO-CVEARBPZSA-N 1 2 447.627 0.535 20 0 ICADLO CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001500416791 1070312879 /nfs/dbraw/zinc/31/28/79/1070312879.db2.gz ACJSAAKDHQNNOO-CVEARBPZSA-N 1 2 447.627 0.535 20 0 ICADLO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001500416792 1070312583 /nfs/dbraw/zinc/31/25/83/1070312583.db2.gz ACJSAAKDHQNNOO-HOTGVXAUSA-N 1 2 447.627 0.535 20 0 ICADLO CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001500416792 1070312564 /nfs/dbraw/zinc/31/25/64/1070312564.db2.gz ACJSAAKDHQNNOO-HOTGVXAUSA-N 1 2 447.627 0.535 20 0 ICADLO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001500416793 1070312217 /nfs/dbraw/zinc/31/22/17/1070312217.db2.gz ACJSAAKDHQNNOO-HZPDHXFCSA-N 1 2 447.627 0.535 20 0 ICADLO CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001500416793 1070312195 /nfs/dbraw/zinc/31/21/95/1070312195.db2.gz ACJSAAKDHQNNOO-HZPDHXFCSA-N 1 2 447.627 0.535 20 0 ICADLO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001500416794 1070312057 /nfs/dbraw/zinc/31/20/57/1070312057.db2.gz ACJSAAKDHQNNOO-JKSUJKDBSA-N 1 2 447.627 0.535 20 0 ICADLO CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001500416794 1070312039 /nfs/dbraw/zinc/31/20/39/1070312039.db2.gz ACJSAAKDHQNNOO-JKSUJKDBSA-N 1 2 447.627 0.535 20 0 ICADLO CCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001500761182 1070318169 /nfs/dbraw/zinc/31/81/69/1070318169.db2.gz URZBXTKJFFWTOS-DLBZAZTESA-N 1 2 444.602 0.568 20 0 ICADLO CCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001500761182 1070318154 /nfs/dbraw/zinc/31/81/54/1070318154.db2.gz URZBXTKJFFWTOS-DLBZAZTESA-N 1 2 444.602 0.568 20 0 ICADLO CCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001500761183 1070318622 /nfs/dbraw/zinc/31/86/22/1070318622.db2.gz URZBXTKJFFWTOS-IAGOWNOFSA-N 1 2 444.602 0.568 20 0 ICADLO CCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001500761183 1070318603 /nfs/dbraw/zinc/31/86/03/1070318603.db2.gz URZBXTKJFFWTOS-IAGOWNOFSA-N 1 2 444.602 0.568 20 0 ICADLO CCCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001500761184 1070318521 /nfs/dbraw/zinc/31/85/21/1070318521.db2.gz URZBXTKJFFWTOS-IRXDYDNUSA-N 1 2 444.602 0.568 20 0 ICADLO CCCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001500761184 1070318503 /nfs/dbraw/zinc/31/85/03/1070318503.db2.gz URZBXTKJFFWTOS-IRXDYDNUSA-N 1 2 444.602 0.568 20 0 ICADLO CCCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001500761185 1070318286 /nfs/dbraw/zinc/31/82/86/1070318286.db2.gz URZBXTKJFFWTOS-SJORKVTESA-N 1 2 444.602 0.568 20 0 ICADLO CCCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001500761185 1070318267 /nfs/dbraw/zinc/31/82/67/1070318267.db2.gz URZBXTKJFFWTOS-SJORKVTESA-N 1 2 444.602 0.568 20 0 ICADLO CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001500790117 1070319591 /nfs/dbraw/zinc/31/95/91/1070319591.db2.gz QAJBVRMWGAAERM-CVEARBPZSA-N 1 2 447.627 0.535 20 0 ICADLO CCC[N@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001500790117 1070319577 /nfs/dbraw/zinc/31/95/77/1070319577.db2.gz QAJBVRMWGAAERM-CVEARBPZSA-N 1 2 447.627 0.535 20 0 ICADLO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001500790118 1070318877 /nfs/dbraw/zinc/31/88/77/1070318877.db2.gz QAJBVRMWGAAERM-HOTGVXAUSA-N 1 2 447.627 0.535 20 0 ICADLO CCC[N@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001500790118 1070318863 /nfs/dbraw/zinc/31/88/63/1070318863.db2.gz QAJBVRMWGAAERM-HOTGVXAUSA-N 1 2 447.627 0.535 20 0 ICADLO CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001500790119 1070319512 /nfs/dbraw/zinc/31/95/12/1070319512.db2.gz QAJBVRMWGAAERM-HZPDHXFCSA-N 1 2 447.627 0.535 20 0 ICADLO CCC[N@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001500790119 1070319499 /nfs/dbraw/zinc/31/94/99/1070319499.db2.gz QAJBVRMWGAAERM-HZPDHXFCSA-N 1 2 447.627 0.535 20 0 ICADLO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001500790120 1070318989 /nfs/dbraw/zinc/31/89/89/1070318989.db2.gz QAJBVRMWGAAERM-JKSUJKDBSA-N 1 2 447.627 0.535 20 0 ICADLO CCC[N@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001500790120 1070318971 /nfs/dbraw/zinc/31/89/71/1070318971.db2.gz QAJBVRMWGAAERM-JKSUJKDBSA-N 1 2 447.627 0.535 20 0 ICADLO CCCN1CCCN(c2nnc(CC3CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001501031271 1070326574 /nfs/dbraw/zinc/32/65/74/1070326574.db2.gz DINYMISDAMTIMU-UHFFFAOYSA-N 1 2 431.585 0.843 20 0 ICADLO CCCN1CCCN(c2nnc(COCC)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001501036372 1070327071 /nfs/dbraw/zinc/32/70/71/1070327071.db2.gz BITLQJYTRXHLDC-UHFFFAOYSA-N 1 2 435.573 0.427 20 0 ICADLO CCCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001501180836 1070335293 /nfs/dbraw/zinc/33/52/93/1070335293.db2.gz SIKWLCFXCLGIKI-KRWDZBQOSA-N 1 2 434.589 0.159 20 0 ICADLO CCCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001501180837 1070335572 /nfs/dbraw/zinc/33/55/72/1070335572.db2.gz SIKWLCFXCLGIKI-QGZVFWFLSA-N 1 2 434.589 0.159 20 0 ICADLO CCCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001501180979 1070335471 /nfs/dbraw/zinc/33/54/71/1070335471.db2.gz WPRXKPPMMLKNQE-UHFFFAOYSA-N 1 2 429.529 0.368 20 0 ICADLO CCCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001501204003 1070339652 /nfs/dbraw/zinc/33/96/52/1070339652.db2.gz JKRGMBXEZBPZFK-MSOLQXFVSA-N 1 2 447.584 0.441 20 0 ICADLO CCCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001501204004 1070339865 /nfs/dbraw/zinc/33/98/65/1070339865.db2.gz JKRGMBXEZBPZFK-QZTJIDSGSA-N 1 2 447.584 0.441 20 0 ICADLO CCCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001501204005 1070339464 /nfs/dbraw/zinc/33/94/64/1070339464.db2.gz JKRGMBXEZBPZFK-ROUUACIJSA-N 1 2 447.584 0.441 20 0 ICADLO CCCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001501204006 1070339368 /nfs/dbraw/zinc/33/93/68/1070339368.db2.gz JKRGMBXEZBPZFK-ZWKOTPCHSA-N 1 2 447.584 0.441 20 0 ICADLO CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001501389385 1070345580 /nfs/dbraw/zinc/34/55/80/1070345580.db2.gz QGAGGPXZZNORNE-UHFFFAOYSA-N 1 2 428.541 0.918 20 0 ICADLO CCN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001501409520 1070347321 /nfs/dbraw/zinc/34/73/21/1070347321.db2.gz BYFSCHNUNARHAE-UHFFFAOYSA-N 1 2 442.568 0.809 20 0 ICADLO CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001501413798 1070347665 /nfs/dbraw/zinc/34/76/65/1070347665.db2.gz RLTUVTNNWAHYHC-UHFFFAOYSA-N 1 2 427.513 0.776 20 0 ICADLO CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001501472294 1070354255 /nfs/dbraw/zinc/35/42/55/1070354255.db2.gz XLRVPTFTSKHJIV-HNNXBMFYSA-N 1 2 430.575 0.178 20 0 ICADLO CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001501472294 1070354237 /nfs/dbraw/zinc/35/42/37/1070354237.db2.gz XLRVPTFTSKHJIV-HNNXBMFYSA-N 1 2 430.575 0.178 20 0 ICADLO CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001501472295 1070353920 /nfs/dbraw/zinc/35/39/20/1070353920.db2.gz XLRVPTFTSKHJIV-OAHLLOKOSA-N 1 2 430.575 0.178 20 0 ICADLO CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001501472295 1070353901 /nfs/dbraw/zinc/35/39/01/1070353901.db2.gz XLRVPTFTSKHJIV-OAHLLOKOSA-N 1 2 430.575 0.178 20 0 ICADLO CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001501500078 1070354554 /nfs/dbraw/zinc/35/45/54/1070354554.db2.gz GUIJESQXCWEDAD-INIZCTEOSA-N 1 2 449.581 0.939 20 0 ICADLO CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001501500079 1070354865 /nfs/dbraw/zinc/35/48/65/1070354865.db2.gz GUIJESQXCWEDAD-MRXNPFEDSA-N 1 2 449.581 0.939 20 0 ICADLO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[NH+]1CCOCC1)C(C)C ZINC001501619622 1070358746 /nfs/dbraw/zinc/35/87/46/1070358746.db2.gz LDZNVKGBCBQSPD-DLBZAZTESA-N 1 2 444.602 0.566 20 0 ICADLO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC001501619623 1070358985 /nfs/dbraw/zinc/35/89/85/1070358985.db2.gz LDZNVKGBCBQSPD-IAGOWNOFSA-N 1 2 444.602 0.566 20 0 ICADLO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[NH+]1CCOCC1)C(C)C ZINC001501619624 1070358947 /nfs/dbraw/zinc/35/89/47/1070358947.db2.gz LDZNVKGBCBQSPD-IRXDYDNUSA-N 1 2 444.602 0.566 20 0 ICADLO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC001501619625 1070358782 /nfs/dbraw/zinc/35/87/82/1070358782.db2.gz LDZNVKGBCBQSPD-SJORKVTESA-N 1 2 444.602 0.566 20 0 ICADLO CCN(C1CCN(c2nnc(C)n2CC2([NH+]3CCOCC3)CC2)CC1)S(C)(=O)=O ZINC001501680947 1070362322 /nfs/dbraw/zinc/36/23/22/1070362322.db2.gz XVWBSOSRBHUMDG-UHFFFAOYSA-N 1 2 426.587 0.702 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)NC)CC1 ZINC001501779879 1070365404 /nfs/dbraw/zinc/36/54/04/1070365404.db2.gz BHPSLBORZPLCOH-UHFFFAOYSA-N 1 2 431.541 0.973 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(C)(C)O)CC1 ZINC001501782809 1070365094 /nfs/dbraw/zinc/36/50/94/1070365094.db2.gz AVJPFSASZUHZEQ-UHFFFAOYSA-N 1 2 432.573 0.830 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCn2cncn2)CC1 ZINC001501782824 1070365296 /nfs/dbraw/zinc/36/52/96/1070365296.db2.gz BMBKWZBPSBVGLD-UHFFFAOYSA-N 1 2 438.540 0.622 20 0 ICADLO CCN(CC)C(=O)CN1CCN(c2nnc(C3CC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001501783064 1070366075 /nfs/dbraw/zinc/36/60/75/1070366075.db2.gz HIHPGXLBQDIUDW-GOSISDBHSA-N 1 2 433.601 0.867 20 0 ICADLO CCN(CC)C(=O)CN1CCN(c2nnc(C3CC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001501783066 1070365665 /nfs/dbraw/zinc/36/56/65/1070365665.db2.gz HIHPGXLBQDIUDW-SFHVURJKSA-N 1 2 433.601 0.867 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2COCCO2)CC1 ZINC001501783307 1070365874 /nfs/dbraw/zinc/36/58/74/1070365874.db2.gz IKUSDRMJGRKWOA-QGZVFWFLSA-N 1 2 444.540 0.141 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)NC(C)C)CC1 ZINC001501783553 1070366133 /nfs/dbraw/zinc/36/61/33/1070366133.db2.gz NKXFQJAOJXEVFX-UHFFFAOYSA-N 1 2 430.557 0.788 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCOCC2)CC1 ZINC001501784150 1070365632 /nfs/dbraw/zinc/36/56/32/1070365632.db2.gz WBXKSTBFPHSEIY-UHFFFAOYSA-N 1 2 445.568 0.805 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2COCCO2)CC1 ZINC001501784214 1070366230 /nfs/dbraw/zinc/36/62/30/1070366230.db2.gz XMJJZCWKSCKZDF-SFHVURJKSA-N 1 2 445.568 0.689 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCCNC(C)=O)CC1 ZINC001501784248 1070366168 /nfs/dbraw/zinc/36/61/68/1070366168.db2.gz YTUAXMZCHZMWOB-UHFFFAOYSA-N 1 2 430.557 0.790 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cnn(C)c2)CC1 ZINC001501784280 1070365989 /nfs/dbraw/zinc/36/59/89/1070365989.db2.gz ZJPAECQDYHWQJJ-UHFFFAOYSA-N 1 2 440.556 0.451 20 0 ICADLO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c[nH+]1 ZINC001501831532 1070368560 /nfs/dbraw/zinc/36/85/60/1070368560.db2.gz XRIYIMFIDZQRMW-KRWDZBQOSA-N 1 2 440.552 0.838 20 0 ICADLO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c[nH+]1 ZINC001501831537 1070368987 /nfs/dbraw/zinc/36/89/87/1070368987.db2.gz XRIYIMFIDZQRMW-QGZVFWFLSA-N 1 2 440.552 0.838 20 0 ICADLO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 ZINC001501982913 1070375564 /nfs/dbraw/zinc/37/55/64/1070375564.db2.gz UHJWZJMEFLUGDG-CABCVRRESA-N 1 2 433.600 0.145 20 0 ICADLO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 ZINC001501982919 1070375602 /nfs/dbraw/zinc/37/56/02/1070375602.db2.gz UHJWZJMEFLUGDG-HUUCEWRRSA-N 1 2 433.600 0.145 20 0 ICADLO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001501983072 1070375308 /nfs/dbraw/zinc/37/53/08/1070375308.db2.gz WLWIBNOPNJZFMC-BZUAXINKSA-N 1 2 447.627 0.534 20 0 ICADLO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001501983074 1070375642 /nfs/dbraw/zinc/37/56/42/1070375642.db2.gz WLWIBNOPNJZFMC-OAGGEKHMSA-N 1 2 447.627 0.534 20 0 ICADLO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001501983076 1070375107 /nfs/dbraw/zinc/37/51/07/1070375107.db2.gz WLWIBNOPNJZFMC-OWCLPIDISA-N 1 2 447.627 0.534 20 0 ICADLO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001501983077 1070375474 /nfs/dbraw/zinc/37/54/74/1070375474.db2.gz WLWIBNOPNJZFMC-PMPSAXMXSA-N 1 2 447.627 0.534 20 0 ICADLO CCN(CC1CC1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001502076140 1070377194 /nfs/dbraw/zinc/37/71/94/1070377194.db2.gz TVOMGLFLWWXONY-HNNXBMFYSA-N 1 2 426.587 0.989 20 0 ICADLO CCN(CC1CC1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001502076141 1070377311 /nfs/dbraw/zinc/37/73/11/1070377311.db2.gz TVOMGLFLWWXONY-OAHLLOKOSA-N 1 2 426.587 0.989 20 0 ICADLO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1)C(C)C ZINC001502199634 1070383358 /nfs/dbraw/zinc/38/33/58/1070383358.db2.gz PPUUBUWQUFWPFI-HNNXBMFYSA-N 1 2 433.600 0.145 20 0 ICADLO CC[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1)C(C)C ZINC001502199634 1070383338 /nfs/dbraw/zinc/38/33/38/1070383338.db2.gz PPUUBUWQUFWPFI-HNNXBMFYSA-N 1 2 433.600 0.145 20 0 ICADLO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1)C(C)C ZINC001502199635 1070383712 /nfs/dbraw/zinc/38/37/12/1070383712.db2.gz PPUUBUWQUFWPFI-OAHLLOKOSA-N 1 2 433.600 0.145 20 0 ICADLO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1)C(C)C ZINC001502199635 1070383690 /nfs/dbraw/zinc/38/36/90/1070383690.db2.gz PPUUBUWQUFWPFI-OAHLLOKOSA-N 1 2 433.600 0.145 20 0 ICADLO CCn1cccc(Cn2c(C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1=O ZINC001502232958 1070394361 /nfs/dbraw/zinc/39/43/61/1070394361.db2.gz KFPAQENCZYZUCF-KRWDZBQOSA-N 1 2 427.553 0.949 20 0 ICADLO CCn1cccc(Cn2c(C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1=O ZINC001502232959 1070394120 /nfs/dbraw/zinc/39/41/20/1070394120.db2.gz KFPAQENCZYZUCF-QGZVFWFLSA-N 1 2 427.553 0.949 20 0 ICADLO CCn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001502240688 1070396387 /nfs/dbraw/zinc/39/63/87/1070396387.db2.gz SCEKXGNWHJOWBN-INIZCTEOSA-N 1 2 436.586 0.618 20 0 ICADLO CCn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001502240689 1070396252 /nfs/dbraw/zinc/39/62/52/1070396252.db2.gz SCEKXGNWHJOWBN-MRXNPFEDSA-N 1 2 436.586 0.618 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001502256905 1070400107 /nfs/dbraw/zinc/40/01/07/1070400107.db2.gz DPSPDJJQBKAODU-IKGGRYGDSA-N 1 2 441.598 0.641 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001502256905 1070400099 /nfs/dbraw/zinc/40/00/99/1070400099.db2.gz DPSPDJJQBKAODU-IKGGRYGDSA-N 1 2 441.598 0.641 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001502256906 1070400007 /nfs/dbraw/zinc/40/00/07/1070400007.db2.gz DPSPDJJQBKAODU-IXDOHACOSA-N 1 2 441.598 0.641 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001502256906 1070400004 /nfs/dbraw/zinc/40/00/04/1070400004.db2.gz DPSPDJJQBKAODU-IXDOHACOSA-N 1 2 441.598 0.641 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001502256907 1070399584 /nfs/dbraw/zinc/39/95/84/1070399584.db2.gz DPSPDJJQBKAODU-ULQDDVLXSA-N 1 2 441.598 0.641 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001502256907 1070399570 /nfs/dbraw/zinc/39/95/70/1070399570.db2.gz DPSPDJJQBKAODU-ULQDDVLXSA-N 1 2 441.598 0.641 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001502256908 1070400077 /nfs/dbraw/zinc/40/00/77/1070400077.db2.gz DPSPDJJQBKAODU-YESZJQIVSA-N 1 2 441.598 0.641 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001502256908 1070400071 /nfs/dbraw/zinc/40/00/71/1070400071.db2.gz DPSPDJJQBKAODU-YESZJQIVSA-N 1 2 441.598 0.641 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001502257575 1070399752 /nfs/dbraw/zinc/39/97/52/1070399752.db2.gz MLVMTTJCBXLKNF-HZSPNIEDSA-N 1 2 448.540 0.480 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001502257575 1070399738 /nfs/dbraw/zinc/39/97/38/1070399738.db2.gz MLVMTTJCBXLKNF-HZSPNIEDSA-N 1 2 448.540 0.480 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001502257576 1070399530 /nfs/dbraw/zinc/39/95/30/1070399530.db2.gz MLVMTTJCBXLKNF-IHRRRGAJSA-N 1 2 448.540 0.480 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001502257576 1070399510 /nfs/dbraw/zinc/39/95/10/1070399510.db2.gz MLVMTTJCBXLKNF-IHRRRGAJSA-N 1 2 448.540 0.480 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001502257577 1070399977 /nfs/dbraw/zinc/39/99/77/1070399977.db2.gz MLVMTTJCBXLKNF-MELADBBJSA-N 1 2 448.540 0.480 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001502257577 1070399960 /nfs/dbraw/zinc/39/99/60/1070399960.db2.gz MLVMTTJCBXLKNF-MELADBBJSA-N 1 2 448.540 0.480 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001502257578 1070399854 /nfs/dbraw/zinc/39/98/54/1070399854.db2.gz MLVMTTJCBXLKNF-RDBSUJKOSA-N 1 2 448.540 0.480 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001502257578 1070399836 /nfs/dbraw/zinc/39/98/36/1070399836.db2.gz MLVMTTJCBXLKNF-RDBSUJKOSA-N 1 2 448.540 0.480 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001502260391 1070399797 /nfs/dbraw/zinc/39/97/97/1070399797.db2.gz YKUDAMJKQZQVCL-FIKGOQFSSA-N 1 2 448.593 0.732 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001502260391 1070399779 /nfs/dbraw/zinc/39/97/79/1070399779.db2.gz YKUDAMJKQZQVCL-FIKGOQFSSA-N 1 2 448.593 0.732 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502260392 1070399661 /nfs/dbraw/zinc/39/96/61/1070399661.db2.gz YKUDAMJKQZQVCL-LLGFUMIMSA-N 1 2 448.593 0.732 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502260392 1070399646 /nfs/dbraw/zinc/39/96/46/1070399646.db2.gz YKUDAMJKQZQVCL-LLGFUMIMSA-N 1 2 448.593 0.732 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502260393 1070399923 /nfs/dbraw/zinc/39/99/23/1070399923.db2.gz YKUDAMJKQZQVCL-WWMYMODYSA-N 1 2 448.593 0.732 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001502260393 1070399907 /nfs/dbraw/zinc/39/99/07/1070399907.db2.gz YKUDAMJKQZQVCL-WWMYMODYSA-N 1 2 448.593 0.732 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001502260394 1070400028 /nfs/dbraw/zinc/40/00/28/1070400028.db2.gz YKUDAMJKQZQVCL-XGHQBKJUSA-N 1 2 448.593 0.732 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001502260394 1070400019 /nfs/dbraw/zinc/40/00/19/1070400019.db2.gz YKUDAMJKQZQVCL-XGHQBKJUSA-N 1 2 448.593 0.732 20 0 ICADLO CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001502276976 1070402645 /nfs/dbraw/zinc/40/26/45/1070402645.db2.gz ZRMMUAVLTNQVDV-CVEARBPZSA-N 1 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0.393 20 0 ICADLO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001502276979 1070402305 /nfs/dbraw/zinc/40/23/05/1070402305.db2.gz ZRMMUAVLTNQVDV-JKSUJKDBSA-N 1 2 447.627 0.393 20 0 ICADLO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001502276979 1070402292 /nfs/dbraw/zinc/40/22/92/1070402292.db2.gz ZRMMUAVLTNQVDV-JKSUJKDBSA-N 1 2 447.627 0.393 20 0 ICADLO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001502276986 1070402684 /nfs/dbraw/zinc/40/26/84/1070402684.db2.gz ZVUFRSKJSVNEBB-ARFHVFGLSA-N 1 2 445.611 0.145 20 0 ICADLO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001502276986 1070402680 /nfs/dbraw/zinc/40/26/80/1070402680.db2.gz ZVUFRSKJSVNEBB-ARFHVFGLSA-N 1 2 445.611 0.145 20 0 ICADLO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001502276987 1070402455 /nfs/dbraw/zinc/40/24/55/1070402455.db2.gz ZVUFRSKJSVNEBB-HRCADAONSA-N 1 2 445.611 0.145 20 0 ICADLO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001502276987 1070402445 /nfs/dbraw/zinc/40/24/45/1070402445.db2.gz ZVUFRSKJSVNEBB-HRCADAONSA-N 1 2 445.611 0.145 20 0 ICADLO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001502276988 1070402600 /nfs/dbraw/zinc/40/26/00/1070402600.db2.gz ZVUFRSKJSVNEBB-JYJNAYRXSA-N 1 2 445.611 0.145 20 0 ICADLO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001502276988 1070402593 /nfs/dbraw/zinc/40/25/93/1070402593.db2.gz ZVUFRSKJSVNEBB-JYJNAYRXSA-N 1 2 445.611 0.145 20 0 ICADLO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001502276989 1070402387 /nfs/dbraw/zinc/40/23/87/1070402387.db2.gz ZVUFRSKJSVNEBB-XHSDSOJGSA-N 1 2 445.611 0.145 20 0 ICADLO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001502276989 1070402376 /nfs/dbraw/zinc/40/23/76/1070402376.db2.gz ZVUFRSKJSVNEBB-XHSDSOJGSA-N 1 2 445.611 0.145 20 0 ICADLO CCN1CCCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001502305064 1070410074 /nfs/dbraw/zinc/41/00/74/1070410074.db2.gz JFLLPTNZPSXDFP-IBGZPJMESA-N 1 2 447.584 0.742 20 0 ICADLO CCN1CCCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001502305065 1070410145 /nfs/dbraw/zinc/41/01/45/1070410145.db2.gz JFLLPTNZPSXDFP-LJQANCHMSA-N 1 2 447.584 0.742 20 0 ICADLO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001502318285 1070421153 /nfs/dbraw/zinc/42/11/53/1070421153.db2.gz YABHRPOYAGLMCV-HNNXBMFYSA-N 1 2 435.554 0.891 20 0 ICADLO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001502318285 1070421143 /nfs/dbraw/zinc/42/11/43/1070421143.db2.gz YABHRPOYAGLMCV-HNNXBMFYSA-N 1 2 435.554 0.891 20 0 ICADLO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001502318286 1070421289 /nfs/dbraw/zinc/42/12/89/1070421289.db2.gz YABHRPOYAGLMCV-OAHLLOKOSA-N 1 2 435.554 0.891 20 0 ICADLO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001502318286 1070421284 /nfs/dbraw/zinc/42/12/84/1070421284.db2.gz YABHRPOYAGLMCV-OAHLLOKOSA-N 1 2 435.554 0.891 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001502326875 1070422128 /nfs/dbraw/zinc/42/21/28/1070422128.db2.gz FGCZEQFIADPWBR-CVEARBPZSA-N 1 2 426.587 0.579 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001502326875 1070422118 /nfs/dbraw/zinc/42/21/18/1070422118.db2.gz FGCZEQFIADPWBR-CVEARBPZSA-N 1 2 426.587 0.579 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001502326876 1070422013 /nfs/dbraw/zinc/42/20/13/1070422013.db2.gz FGCZEQFIADPWBR-HOTGVXAUSA-N 1 2 426.587 0.579 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001502326876 1070422007 /nfs/dbraw/zinc/42/20/07/1070422007.db2.gz FGCZEQFIADPWBR-HOTGVXAUSA-N 1 2 426.587 0.579 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001502326877 1070422258 /nfs/dbraw/zinc/42/22/58/1070422258.db2.gz FGCZEQFIADPWBR-HZPDHXFCSA-N 1 2 426.587 0.579 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001502326877 1070422253 /nfs/dbraw/zinc/42/22/53/1070422253.db2.gz FGCZEQFIADPWBR-HZPDHXFCSA-N 1 2 426.587 0.579 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001502326878 1070422188 /nfs/dbraw/zinc/42/21/88/1070422188.db2.gz FGCZEQFIADPWBR-JKSUJKDBSA-N 1 2 426.587 0.579 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001502326878 1070422179 /nfs/dbraw/zinc/42/21/79/1070422179.db2.gz FGCZEQFIADPWBR-JKSUJKDBSA-N 1 2 426.587 0.579 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(OC)CCOC2)C[C@@H]1C ZINC001502328099 1070422165 /nfs/dbraw/zinc/42/21/65/1070422165.db2.gz ZFVDVTJTQORZSR-FCEWJHQRSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(OC)CCOC2)C[C@@H]1C ZINC001502328099 1070422161 /nfs/dbraw/zinc/42/21/61/1070422161.db2.gz ZFVDVTJTQORZSR-FCEWJHQRSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(OC)CCOC2)C[C@@H]1C ZINC001502328100 1070422149 /nfs/dbraw/zinc/42/21/49/1070422149.db2.gz ZFVDVTJTQORZSR-FRQCXROJSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(OC)CCOC2)C[C@@H]1C ZINC001502328100 1070422143 /nfs/dbraw/zinc/42/21/43/1070422143.db2.gz ZFVDVTJTQORZSR-FRQCXROJSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(OC)CCOC2)C[C@H]1C ZINC001502328101 1070422313 /nfs/dbraw/zinc/42/23/13/1070422313.db2.gz ZFVDVTJTQORZSR-GPMSIDNRSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(OC)CCOC2)C[C@H]1C ZINC001502328101 1070422308 /nfs/dbraw/zinc/42/23/08/1070422308.db2.gz ZFVDVTJTQORZSR-GPMSIDNRSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(OC)CCOC2)C[C@H]1C ZINC001502328102 1070423159 /nfs/dbraw/zinc/42/31/59/1070423159.db2.gz ZFVDVTJTQORZSR-MDZRGWNJSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(OC)CCOC2)C[C@H]1C ZINC001502328102 1070423153 /nfs/dbraw/zinc/42/31/53/1070423153.db2.gz ZFVDVTJTQORZSR-MDZRGWNJSA-N 1 2 427.571 0.516 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCCn3ccnn3)C2)CC1 ZINC001502331959 1070423125 /nfs/dbraw/zinc/42/31/25/1070423125.db2.gz ALAGCMQIXHEEPQ-GOSISDBHSA-N 1 2 444.588 0.314 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCCn3ccnn3)C2)CC1 ZINC001502331960 1070423243 /nfs/dbraw/zinc/42/32/43/1070423243.db2.gz ALAGCMQIXHEEPQ-SFHVURJKSA-N 1 2 444.588 0.314 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3=CCCOC3)C2)CC1 ZINC001502331961 1070423082 /nfs/dbraw/zinc/42/30/82/1070423082.db2.gz AOGUQQAWYFLCGH-IBGZPJMESA-N 1 2 431.585 0.979 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3=CCCOC3)C2)CC1 ZINC001502331962 1070422999 /nfs/dbraw/zinc/42/29/99/1070422999.db2.gz AOGUQQAWYFLCGH-LJQANCHMSA-N 1 2 431.585 0.979 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3COCCO3)C2)CC1 ZINC001502332224 1070423103 /nfs/dbraw/zinc/42/31/03/1070423103.db2.gz GOBCLRGDGFPCKI-MSOLQXFVSA-N 1 2 435.573 0.048 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3COCCO3)C2)CC1 ZINC001502332225 1070423256 /nfs/dbraw/zinc/42/32/56/1070423256.db2.gz GOBCLRGDGFPCKI-QZTJIDSGSA-N 1 2 435.573 0.048 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3COCCO3)C2)CC1 ZINC001502332226 1070423194 /nfs/dbraw/zinc/42/31/94/1070423194.db2.gz GOBCLRGDGFPCKI-ROUUACIJSA-N 1 2 435.573 0.048 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3COCCO3)C2)CC1 ZINC001502332227 1070422968 /nfs/dbraw/zinc/42/29/68/1070422968.db2.gz GOBCLRGDGFPCKI-ZWKOTPCHSA-N 1 2 435.573 0.048 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(OC)CCOC3)C2)CC1 ZINC001502332423 1070423281 /nfs/dbraw/zinc/42/32/81/1070423281.db2.gz JVPGZQWJIZCOPW-AVRDEDQJSA-N 1 2 449.600 0.438 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(OC)CCOC3)C2)CC1 ZINC001502332424 1070423963 /nfs/dbraw/zinc/42/39/63/1070423963.db2.gz JVPGZQWJIZCOPW-GCJKJVERSA-N 1 2 449.600 0.438 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(OC)CCOC3)C2)CC1 ZINC001502332425 1070424035 /nfs/dbraw/zinc/42/40/35/1070424035.db2.gz JVPGZQWJIZCOPW-PGRDOPGGSA-N 1 2 449.600 0.438 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(OC)CCOC3)C2)CC1 ZINC001502332426 1070424103 /nfs/dbraw/zinc/42/41/03/1070424103.db2.gz JVPGZQWJIZCOPW-XMSQKQJNSA-N 1 2 449.600 0.438 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001502332431 1070424075 /nfs/dbraw/zinc/42/40/75/1070424075.db2.gz JXGBYWDSZTYPQU-KRWDZBQOSA-N 1 2 448.616 0.405 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001502332432 1070424181 /nfs/dbraw/zinc/42/41/81/1070424181.db2.gz JXGBYWDSZTYPQU-QGZVFWFLSA-N 1 2 448.616 0.405 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CCOCC3)C2)CC1 ZINC001502332438 1070424165 /nfs/dbraw/zinc/42/41/65/1070424165.db2.gz KHHGUYMLXMAACO-GOSISDBHSA-N 1 2 449.600 0.174 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CCOCC3)C2)CC1 ZINC001502332439 1070424009 /nfs/dbraw/zinc/42/40/09/1070424009.db2.gz KHHGUYMLXMAACO-SFHVURJKSA-N 1 2 449.600 0.174 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCNC(=O)C3CC3)C2)CC1 ZINC001502332482 1070423911 /nfs/dbraw/zinc/42/39/11/1070423911.db2.gz LOBBEHNAUHURTM-GOSISDBHSA-N 1 2 446.600 0.159 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCNC(=O)C3CC3)C2)CC1 ZINC001502332483 1070424065 /nfs/dbraw/zinc/42/40/65/1070424065.db2.gz LOBBEHNAUHURTM-SFHVURJKSA-N 1 2 446.600 0.159 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC(C)(C)O)C2)CC1 ZINC001502332512 1070424023 /nfs/dbraw/zinc/42/40/23/1070424023.db2.gz MFIHQNQINBDRLG-GOSISDBHSA-N 1 2 433.601 0.891 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC(C)(C)O)C2)CC1 ZINC001502332513 1070424116 /nfs/dbraw/zinc/42/41/16/1070424116.db2.gz MFIHQNQINBDRLG-SFHVURJKSA-N 1 2 433.601 0.891 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccn(C)n3)C2)CC1 ZINC001502332559 1070423936 /nfs/dbraw/zinc/42/39/36/1070423936.db2.gz NEFSUUYRRMOOMV-GOSISDBHSA-N 1 2 429.573 0.414 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccn(C)n3)C2)CC1 ZINC001502332560 1070424051 /nfs/dbraw/zinc/42/40/51/1070424051.db2.gz NEFSUUYRRMOOMV-SFHVURJKSA-N 1 2 429.573 0.414 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cnn(C)c3C)C2)CC1 ZINC001502332604 1070424133 /nfs/dbraw/zinc/42/41/33/1070424133.db2.gz OBSKZMKMUDBATA-IBGZPJMESA-N 1 2 443.600 0.723 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cnn(C)c3C)C2)CC1 ZINC001502332605 1070423980 /nfs/dbraw/zinc/42/39/80/1070423980.db2.gz OBSKZMKMUDBATA-LJQANCHMSA-N 1 2 443.600 0.723 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cc(C)on3)C2)CC1 ZINC001502332636 1070424151 /nfs/dbraw/zinc/42/41/51/1070424151.db2.gz OXKAVYLFXJNSMH-GOSISDBHSA-N 1 2 430.557 0.977 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cc(C)on3)C2)CC1 ZINC001502332637 1070423994 /nfs/dbraw/zinc/42/39/94/1070423994.db2.gz OXKAVYLFXJNSMH-SFHVURJKSA-N 1 2 430.557 0.977 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC(=O)N(C)C)C2)CC1 ZINC001502332642 1070424088 /nfs/dbraw/zinc/42/40/88/1070424088.db2.gz OZXNWMLBQKJNHP-KRWDZBQOSA-N 1 2 434.589 0.111 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC(=O)N(C)C)C2)CC1 ZINC001502332643 1070423891 /nfs/dbraw/zinc/42/38/91/1070423891.db2.gz OZXNWMLBQKJNHP-QGZVFWFLSA-N 1 2 434.589 0.111 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001502422985 1070442035 /nfs/dbraw/zinc/44/20/35/1070442035.db2.gz QOSDDJFOSGHALD-NRFANRHFSA-N 1 2 441.580 0.746 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001502422985 1070442022 /nfs/dbraw/zinc/44/20/22/1070442022.db2.gz QOSDDJFOSGHALD-NRFANRHFSA-N 1 2 441.580 0.746 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001502422986 1070442135 /nfs/dbraw/zinc/44/21/35/1070442135.db2.gz QOSDDJFOSGHALD-OAQYLSRUSA-N 1 2 441.580 0.746 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001502422986 1070442130 /nfs/dbraw/zinc/44/21/30/1070442130.db2.gz QOSDDJFOSGHALD-OAQYLSRUSA-N 1 2 441.580 0.746 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502429607 1070445487 /nfs/dbraw/zinc/44/54/87/1070445487.db2.gz BTLMMKZCHZOXJS-GOSISDBHSA-N 1 2 433.601 0.915 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502429607 1070445483 /nfs/dbraw/zinc/44/54/83/1070445483.db2.gz BTLMMKZCHZOXJS-GOSISDBHSA-N 1 2 433.601 0.915 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001502429608 1070445531 /nfs/dbraw/zinc/44/55/31/1070445531.db2.gz BTLMMKZCHZOXJS-SFHVURJKSA-N 1 2 433.601 0.915 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001502429608 1070445526 /nfs/dbraw/zinc/44/55/26/1070445526.db2.gz BTLMMKZCHZOXJS-SFHVURJKSA-N 1 2 433.601 0.915 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(CC(C)C)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001502432299 1070447763 /nfs/dbraw/zinc/44/77/63/1070447763.db2.gz CTJGWIWCNLJCPF-UHFFFAOYSA-N 1 2 433.601 0.600 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502456772 1070454903 /nfs/dbraw/zinc/45/49/03/1070454903.db2.gz ISDWBZJRAXQXAV-GOSISDBHSA-N 1 2 442.568 0.836 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502456772 1070454898 /nfs/dbraw/zinc/45/48/98/1070454898.db2.gz ISDWBZJRAXQXAV-GOSISDBHSA-N 1 2 442.568 0.836 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001502456773 1070455006 /nfs/dbraw/zinc/45/50/06/1070455006.db2.gz ISDWBZJRAXQXAV-SFHVURJKSA-N 1 2 442.568 0.836 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001502456773 1070455000 /nfs/dbraw/zinc/45/50/00/1070455000.db2.gz ISDWBZJRAXQXAV-SFHVURJKSA-N 1 2 442.568 0.836 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001502456969 1070454916 /nfs/dbraw/zinc/45/49/16/1070454916.db2.gz NXINDYZWHXUPQZ-GOSISDBHSA-N 1 2 442.568 0.836 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001502456970 1070455844 /nfs/dbraw/zinc/45/58/44/1070455844.db2.gz NXINDYZWHXUPQZ-SFHVURJKSA-N 1 2 442.568 0.836 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001502457181 1070455782 /nfs/dbraw/zinc/45/57/82/1070455782.db2.gz XEUOWHCSPOJIRO-GOSISDBHSA-N 1 2 442.568 0.836 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001502457182 1070455694 /nfs/dbraw/zinc/45/56/94/1070455694.db2.gz XEUOWHCSPOJIRO-SFHVURJKSA-N 1 2 442.568 0.836 20 0 ICADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001502462928 1070456390 /nfs/dbraw/zinc/45/63/90/1070456390.db2.gz BSLIPJVTNPOXTL-INIZCTEOSA-N 1 2 440.614 0.958 20 0 ICADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001502462929 1070456527 /nfs/dbraw/zinc/45/65/27/1070456527.db2.gz BSLIPJVTNPOXTL-MRXNPFEDSA-N 1 2 440.614 0.958 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(COCC)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001502463822 1070458077 /nfs/dbraw/zinc/45/80/77/1070458077.db2.gz WPPRFHSFAAVXKL-UHFFFAOYSA-N 1 2 436.605 0.692 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(COCC)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001502463822 1070458069 /nfs/dbraw/zinc/45/80/69/1070458069.db2.gz WPPRFHSFAAVXKL-UHFFFAOYSA-N 1 2 436.605 0.692 20 0 ICADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001502476509 1070463392 /nfs/dbraw/zinc/46/33/92/1070463392.db2.gz ALTDXBGVQIOCSE-DLBZAZTESA-N 1 2 449.581 0.809 20 0 ICADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001502476510 1070463385 /nfs/dbraw/zinc/46/33/85/1070463385.db2.gz ALTDXBGVQIOCSE-IAGOWNOFSA-N 1 2 449.581 0.809 20 0 ICADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001502476511 1070463334 /nfs/dbraw/zinc/46/33/34/1070463334.db2.gz ALTDXBGVQIOCSE-IRXDYDNUSA-N 1 2 449.581 0.809 20 0 ICADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001502476512 1070463287 /nfs/dbraw/zinc/46/32/87/1070463287.db2.gz ALTDXBGVQIOCSE-SJORKVTESA-N 1 2 449.581 0.809 20 0 ICADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001502478589 1070465291 /nfs/dbraw/zinc/46/52/91/1070465291.db2.gz YKKCJZRPMWRRFT-KRWDZBQOSA-N 1 2 449.581 0.638 20 0 ICADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001502478590 1070466182 /nfs/dbraw/zinc/46/61/82/1070466182.db2.gz YKKCJZRPMWRRFT-QGZVFWFLSA-N 1 2 449.581 0.638 20 0 ICADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001502480894 1070467547 /nfs/dbraw/zinc/46/75/47/1070467547.db2.gz YDRCXNYRPIDIFN-DOTOQJQBSA-N 1 2 426.587 0.469 20 0 ICADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001502480894 1070467539 /nfs/dbraw/zinc/46/75/39/1070467539.db2.gz YDRCXNYRPIDIFN-DOTOQJQBSA-N 1 2 426.587 0.469 20 0 ICADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001502480895 1070467426 /nfs/dbraw/zinc/46/74/26/1070467426.db2.gz YDRCXNYRPIDIFN-NVXWUHKLSA-N 1 2 426.587 0.469 20 0 ICADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001502480895 1070467423 /nfs/dbraw/zinc/46/74/23/1070467423.db2.gz YDRCXNYRPIDIFN-NVXWUHKLSA-N 1 2 426.587 0.469 20 0 ICADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001502480896 1070467482 /nfs/dbraw/zinc/46/74/82/1070467482.db2.gz YDRCXNYRPIDIFN-RDJZCZTQSA-N 1 2 426.587 0.469 20 0 ICADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001502480896 1070467479 /nfs/dbraw/zinc/46/74/79/1070467479.db2.gz YDRCXNYRPIDIFN-RDJZCZTQSA-N 1 2 426.587 0.469 20 0 ICADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001502480897 1070467647 /nfs/dbraw/zinc/46/76/47/1070467647.db2.gz YDRCXNYRPIDIFN-WBVHZDCISA-N 1 2 426.587 0.469 20 0 ICADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001502480897 1070467645 /nfs/dbraw/zinc/46/76/45/1070467645.db2.gz YDRCXNYRPIDIFN-WBVHZDCISA-N 1 2 426.587 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001502627604 1070479986 /nfs/dbraw/zinc/47/99/86/1070479986.db2.gz ITGICCUBYQNLQB-CBGDNZLLSA-N 1 2 438.573 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001502627604 1070479980 /nfs/dbraw/zinc/47/99/80/1070479980.db2.gz ITGICCUBYQNLQB-CBGDNZLLSA-N 1 2 438.573 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001502627607 1070479910 /nfs/dbraw/zinc/47/99/10/1070479910.db2.gz ITGICCUBYQNLQB-CSODHUTKSA-N 1 2 438.573 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001502627607 1070479902 /nfs/dbraw/zinc/47/99/02/1070479902.db2.gz ITGICCUBYQNLQB-CSODHUTKSA-N 1 2 438.573 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502627609 1070479933 /nfs/dbraw/zinc/47/99/33/1070479933.db2.gz ITGICCUBYQNLQB-LLGFUMIMSA-N 1 2 438.573 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502627609 1070479926 /nfs/dbraw/zinc/47/99/26/1070479926.db2.gz ITGICCUBYQNLQB-LLGFUMIMSA-N 1 2 438.573 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502627612 1070480074 /nfs/dbraw/zinc/48/00/74/1070480074.db2.gz ITGICCUBYQNLQB-XGHQBKJUSA-N 1 2 438.573 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502627612 1070480070 /nfs/dbraw/zinc/48/00/70/1070480070.db2.gz ITGICCUBYQNLQB-XGHQBKJUSA-N 1 2 438.573 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)C[C@@H](C)C(=O)NC)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502627814 1070480111 /nfs/dbraw/zinc/48/01/11/1070480111.db2.gz JVRIQAVUVQSPBI-CBGDNZLLSA-N 1 2 438.573 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)C[C@H](C)C(=O)NC)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502627816 1070479878 /nfs/dbraw/zinc/47/98/78/1070479878.db2.gz JVRIQAVUVQSPBI-CSODHUTKSA-N 1 2 438.573 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)C[C@@H](C)C(=O)NC)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502627817 1070480012 /nfs/dbraw/zinc/48/00/12/1070480012.db2.gz JVRIQAVUVQSPBI-LLGFUMIMSA-N 1 2 438.573 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)C[C@H](C)C(=O)NC)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502627819 1070480154 /nfs/dbraw/zinc/48/01/54/1070480154.db2.gz JVRIQAVUVQSPBI-XGHQBKJUSA-N 1 2 438.573 0.469 20 0 ICADLO CCO[C@]1(c2nnc(N(C)CCn3cccn3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502651367 1070482396 /nfs/dbraw/zinc/48/23/96/1070482396.db2.gz DVKUPVUCRXBQOR-GHTZIAJQSA-N 1 2 433.557 0.984 20 0 ICADLO CCO[C@@]1(c2nnc(N(C)CCn3cccn3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502651368 1070482346 /nfs/dbraw/zinc/48/23/46/1070482346.db2.gz DVKUPVUCRXBQOR-NQIIRXRSSA-N 1 2 433.557 0.984 20 0 ICADLO CCO[C@@]1(c2nnc(N(C)CCn3cccn3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502651369 1070482421 /nfs/dbraw/zinc/48/24/21/1070482421.db2.gz DVKUPVUCRXBQOR-RXVVDRJESA-N 1 2 433.557 0.984 20 0 ICADLO CCO[C@]1(c2nnc(N(C)CCn3cccn3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502651370 1070482439 /nfs/dbraw/zinc/48/24/39/1070482439.db2.gz DVKUPVUCRXBQOR-WIYYLYMNSA-N 1 2 433.557 0.984 20 0 ICADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2cnn(C)c2C)CCOC1 ZINC001502654989 1070483192 /nfs/dbraw/zinc/48/31/92/1070483192.db2.gz KTBMZKRPQYTKSL-NRFANRHFSA-N 1 2 433.557 0.789 20 0 ICADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2cnn(C)c2C)CCOC1 ZINC001502654990 1070483206 /nfs/dbraw/zinc/48/32/06/1070483206.db2.gz KTBMZKRPQYTKSL-OAQYLSRUSA-N 1 2 433.557 0.789 20 0 ICADLO CCO[C@@]1(c2nnc(N3CCSCC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502744192 1070512600 /nfs/dbraw/zinc/51/26/00/1070512600.db2.gz ZCHNGYUFUHQPHZ-FQEVSTJZSA-N 1 2 438.598 0.648 20 0 ICADLO CCO[C@]1(c2nnc(N3CCSCC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502744193 1070512501 /nfs/dbraw/zinc/51/25/01/1070512501.db2.gz ZCHNGYUFUHQPHZ-HXUWFJFHSA-N 1 2 438.598 0.648 20 0 ICADLO CCO[C@@]1(c2nnc(Nc3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502746886 1070513078 /nfs/dbraw/zinc/51/30/78/1070513078.db2.gz WOVOROUNJDOBFT-FQEVSTJZSA-N 1 2 432.529 0.571 20 0 ICADLO CCO[C@]1(c2nnc(Nc3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502746887 1070513288 /nfs/dbraw/zinc/51/32/88/1070513288.db2.gz WOVOROUNJDOBFT-HXUWFJFHSA-N 1 2 432.529 0.571 20 0 ICADLO CCO[C@]1(c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502746944 1070513102 /nfs/dbraw/zinc/51/31/02/1070513102.db2.gz XUMYBIDENZEEMR-DCXXXQMHSA-N 1 2 439.557 0.501 20 0 ICADLO CCO[C@]1(c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502746945 1070513262 /nfs/dbraw/zinc/51/32/62/1070513262.db2.gz XUMYBIDENZEEMR-LXGFNABISA-N 1 2 439.557 0.501 20 0 ICADLO CCO[C@@]1(c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502746946 1070513192 /nfs/dbraw/zinc/51/31/92/1070513192.db2.gz XUMYBIDENZEEMR-UGNRZPKXSA-N 1 2 439.557 0.501 20 0 ICADLO CCO[C@@]1(c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001502746947 1070512990 /nfs/dbraw/zinc/51/29/90/1070512990.db2.gz XUMYBIDENZEEMR-WIRSXHRWSA-N 1 2 439.557 0.501 20 0 ICADLO CCOC1CC(O)(Cn2c(CN3CCCC3=O)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001502961696 1070517569 /nfs/dbraw/zinc/51/75/69/1070517569.db2.gz FQIOZHNJIYYTFT-UHFFFAOYSA-N 1 2 436.557 0.099 20 0 ICADLO CCOC1CC(O)(Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001502965122 1070517857 /nfs/dbraw/zinc/51/78/57/1070517857.db2.gz UIZGKXFHSLSLIW-UHFFFAOYSA-N 1 2 430.553 0.962 20 0 ICADLO CCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001502977048 1070519202 /nfs/dbraw/zinc/51/92/02/1070519202.db2.gz VYYKGNCNIUNNNV-MSOLQXFVSA-N 1 2 433.557 0.399 20 0 ICADLO CCO[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001502977049 1070519321 /nfs/dbraw/zinc/51/93/21/1070519321.db2.gz VYYKGNCNIUNNNV-QZTJIDSGSA-N 1 2 433.557 0.399 20 0 ICADLO CCO[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001502977051 1070519168 /nfs/dbraw/zinc/51/91/68/1070519168.db2.gz VYYKGNCNIUNNNV-ROUUACIJSA-N 1 2 433.557 0.399 20 0 ICADLO CCO[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001502977054 1070519232 /nfs/dbraw/zinc/51/92/32/1070519232.db2.gz VYYKGNCNIUNNNV-ZWKOTPCHSA-N 1 2 433.557 0.399 20 0 ICADLO CCOCc1nnc(N(C)CC2COC(C)(C)OC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503034997 1070523001 /nfs/dbraw/zinc/52/30/01/1070523001.db2.gz MHKHLJLZIUZGPR-UHFFFAOYSA-N 1 2 438.573 0.814 20 0 ICADLO CCOCc1nnc(N2CCC(C(N)=O)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001503045251 1070524206 /nfs/dbraw/zinc/52/42/06/1070524206.db2.gz CELNSFARWLOIFY-FQEVSTJZSA-N 1 2 438.598 0.724 20 0 ICADLO CCOCc1nnc(N2CCC(C(N)=O)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001503045252 1070524019 /nfs/dbraw/zinc/52/40/19/1070524019.db2.gz CELNSFARWLOIFY-HXUWFJFHSA-N 1 2 438.598 0.724 20 0 ICADLO CCOCc1nnc(N2CCC(C(N)=O)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503047322 1070524162 /nfs/dbraw/zinc/52/41/62/1070524162.db2.gz VHPFDRRZYMSXPH-UHFFFAOYSA-N 1 2 429.525 0.796 20 0 ICADLO CCOCc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503055223 1070525218 /nfs/dbraw/zinc/52/52/18/1070525218.db2.gz WRRAXXOZGVIFPH-UHFFFAOYSA-N 1 2 449.600 0.673 20 0 ICADLO CCOCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503059238 1070525878 /nfs/dbraw/zinc/52/58/78/1070525878.db2.gz WXPPVCXHWHVNBN-INIZCTEOSA-N 1 2 444.602 0.301 20 0 ICADLO CCOCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503059238 1070525864 /nfs/dbraw/zinc/52/58/64/1070525864.db2.gz WXPPVCXHWHVNBN-INIZCTEOSA-N 1 2 444.602 0.301 20 0 ICADLO CCOCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503059239 1070526198 /nfs/dbraw/zinc/52/61/98/1070526198.db2.gz WXPPVCXHWHVNBN-MRXNPFEDSA-N 1 2 444.602 0.301 20 0 ICADLO CCOCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503059239 1070526192 /nfs/dbraw/zinc/52/61/92/1070526192.db2.gz WXPPVCXHWHVNBN-MRXNPFEDSA-N 1 2 444.602 0.301 20 0 ICADLO CCOCc1nnc(N2CCC3(COC(=O)N3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503065167 1070527106 /nfs/dbraw/zinc/52/71/06/1070527106.db2.gz GUCFVNVHZKEOOG-UHFFFAOYSA-N 1 2 435.573 0.919 20 0 ICADLO CCOCc1nnc(N2CCC3(COC(=O)N3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503065167 1070527088 /nfs/dbraw/zinc/52/70/88/1070527088.db2.gz GUCFVNVHZKEOOG-UHFFFAOYSA-N 1 2 435.573 0.919 20 0 ICADLO CCOCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCNS(=O)(=O)CC ZINC001503068392 1070528034 /nfs/dbraw/zinc/52/80/34/1070528034.db2.gz PFBIWMGQHZSNSV-UHFFFAOYSA-N 1 2 437.570 0.778 20 0 ICADLO CCOCc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001503075478 1070529279 /nfs/dbraw/zinc/52/92/79/1070529279.db2.gz KUANYANZUDNZHK-JXFKEZNVSA-N 1 2 438.598 0.724 20 0 ICADLO CCOCc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001503075483 1070529382 /nfs/dbraw/zinc/52/93/82/1070529382.db2.gz KUANYANZUDNZHK-OXJNMPFZSA-N 1 2 438.598 0.724 20 0 ICADLO CCOCc1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001503075487 1070529316 /nfs/dbraw/zinc/52/93/16/1070529316.db2.gz KUANYANZUDNZHK-OXQOHEQNSA-N 1 2 438.598 0.724 20 0 ICADLO CCOCc1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001503075492 1070529013 /nfs/dbraw/zinc/52/90/13/1070529013.db2.gz KUANYANZUDNZHK-UZLBHIALSA-N 1 2 438.598 0.724 20 0 ICADLO CCOCc1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503077016 1070529767 /nfs/dbraw/zinc/52/97/67/1070529767.db2.gz RWQFDBBKOVOYOL-KRWDZBQOSA-N 1 2 429.525 0.796 20 0 ICADLO CCOCc1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503077017 1070529949 /nfs/dbraw/zinc/52/99/49/1070529949.db2.gz RWQFDBBKOVOYOL-QGZVFWFLSA-N 1 2 429.525 0.796 20 0 ICADLO CCOCc1nnc(N2CCC[C@@H](n3cncn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503078211 1070530070 /nfs/dbraw/zinc/53/00/70/1070530070.db2.gz AKQPXTLALSVDBU-GOSISDBHSA-N 1 2 431.545 0.412 20 0 ICADLO CCOCc1nnc(N2CCC[C@H](n3cncn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503078215 1070529973 /nfs/dbraw/zinc/52/99/73/1070529973.db2.gz AKQPXTLALSVDBU-SFHVURJKSA-N 1 2 431.545 0.412 20 0 ICADLO CCOCc1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503078504 1070530092 /nfs/dbraw/zinc/53/00/92/1070530092.db2.gz MQQXBLGFOUHFKF-GOSISDBHSA-N 1 2 447.584 0.474 20 0 ICADLO CCOCc1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503078506 1070529712 /nfs/dbraw/zinc/52/97/12/1070529712.db2.gz MQQXBLGFOUHFKF-SFHVURJKSA-N 1 2 447.584 0.474 20 0 ICADLO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503095763 1070532151 /nfs/dbraw/zinc/53/21/51/1070532151.db2.gz JWAARHXGDRDQNQ-INIZCTEOSA-N 1 2 430.575 0.007 20 0 ICADLO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503095763 1070532138 /nfs/dbraw/zinc/53/21/38/1070532138.db2.gz JWAARHXGDRDQNQ-INIZCTEOSA-N 1 2 430.575 0.007 20 0 ICADLO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503095766 1070532436 /nfs/dbraw/zinc/53/24/36/1070532436.db2.gz JWAARHXGDRDQNQ-MRXNPFEDSA-N 1 2 430.575 0.007 20 0 ICADLO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503095766 1070532421 /nfs/dbraw/zinc/53/24/21/1070532421.db2.gz JWAARHXGDRDQNQ-MRXNPFEDSA-N 1 2 430.575 0.007 20 0 ICADLO CCOCc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503099007 1070534103 /nfs/dbraw/zinc/53/41/03/1070534103.db2.gz XQOPGVNCZHLDMB-UHFFFAOYSA-N 1 2 449.600 0.673 20 0 ICADLO CCOCc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503099393 1070534913 /nfs/dbraw/zinc/53/49/13/1070534913.db2.gz SKXKQWJXPIKVBI-GOSISDBHSA-N 1 2 443.552 0.893 20 0 ICADLO CCOCc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503099393 1070534899 /nfs/dbraw/zinc/53/48/99/1070534899.db2.gz SKXKQWJXPIKVBI-GOSISDBHSA-N 1 2 443.552 0.893 20 0 ICADLO CCOCc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503099394 1070534784 /nfs/dbraw/zinc/53/47/84/1070534784.db2.gz SKXKQWJXPIKVBI-SFHVURJKSA-N 1 2 443.552 0.893 20 0 ICADLO CCOCc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503099394 1070534769 /nfs/dbraw/zinc/53/47/69/1070534769.db2.gz SKXKQWJXPIKVBI-SFHVURJKSA-N 1 2 443.552 0.893 20 0 ICADLO CCOCc1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001503102949 1070536634 /nfs/dbraw/zinc/53/66/34/1070536634.db2.gz LNNLDDQHHHIASV-HNNXBMFYSA-N 1 2 429.529 0.594 20 0 ICADLO CCOCc1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001503102949 1070536626 /nfs/dbraw/zinc/53/66/26/1070536626.db2.gz LNNLDDQHHHIASV-HNNXBMFYSA-N 1 2 429.529 0.594 20 0 ICADLO CCOCc1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001503102950 1070536737 /nfs/dbraw/zinc/53/67/37/1070536737.db2.gz LNNLDDQHHHIASV-OAHLLOKOSA-N 1 2 429.529 0.594 20 0 ICADLO CCOCc1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001503102950 1070536723 /nfs/dbraw/zinc/53/67/23/1070536723.db2.gz LNNLDDQHHHIASV-OAHLLOKOSA-N 1 2 429.529 0.594 20 0 ICADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCn1ccnn1 ZINC001503106431 1070538389 /nfs/dbraw/zinc/53/83/89/1070538389.db2.gz ABWWSZHQFFHGRO-GOSISDBHSA-N 1 2 445.572 0.629 20 0 ICADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCn1ccnn1 ZINC001503106433 1070538005 /nfs/dbraw/zinc/53/80/05/1070538005.db2.gz ABWWSZHQFFHGRO-SFHVURJKSA-N 1 2 445.572 0.629 20 0 ICADLO CCOCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503106593 1070538291 /nfs/dbraw/zinc/53/82/91/1070538291.db2.gz ZOLLIXLXRSQDCN-INIZCTEOSA-N 1 2 432.529 0.122 20 0 ICADLO CCOCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503106594 1070538317 /nfs/dbraw/zinc/53/83/17/1070538317.db2.gz ZOLLIXLXRSQDCN-MRXNPFEDSA-N 1 2 432.529 0.122 20 0 ICADLO CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503106935 1070538160 /nfs/dbraw/zinc/53/81/60/1070538160.db2.gz IJOXACHVJNIBBX-MSOLQXFVSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503106935 1070538144 /nfs/dbraw/zinc/53/81/44/1070538144.db2.gz IJOXACHVJNIBBX-MSOLQXFVSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503106936 1070538263 /nfs/dbraw/zinc/53/82/63/1070538263.db2.gz IJOXACHVJNIBBX-QZTJIDSGSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503106936 1070538252 /nfs/dbraw/zinc/53/82/52/1070538252.db2.gz IJOXACHVJNIBBX-QZTJIDSGSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503106937 1070538364 /nfs/dbraw/zinc/53/83/64/1070538364.db2.gz IJOXACHVJNIBBX-ROUUACIJSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503106937 1070538354 /nfs/dbraw/zinc/53/83/54/1070538354.db2.gz IJOXACHVJNIBBX-ROUUACIJSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503106938 1070537974 /nfs/dbraw/zinc/53/79/74/1070537974.db2.gz IJOXACHVJNIBBX-ZWKOTPCHSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503106938 1070537961 /nfs/dbraw/zinc/53/79/61/1070537961.db2.gz IJOXACHVJNIBBX-ZWKOTPCHSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CCN(c3cnccn3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503107044 1070538412 /nfs/dbraw/zinc/53/84/12/1070538412.db2.gz GSLKOQLRWGMKKW-IBGZPJMESA-N 1 2 443.600 0.957 20 0 ICADLO CCOCc1nnc(N2CCN(c3cnccn3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503107045 1070538188 /nfs/dbraw/zinc/53/81/88/1070538188.db2.gz GSLKOQLRWGMKKW-LJQANCHMSA-N 1 2 443.600 0.957 20 0 ICADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CCOC1 ZINC001503107385 1070538829 /nfs/dbraw/zinc/53/88/29/1070538829.db2.gz NQNOQQONERWOGR-DYESRHJHSA-N 1 2 436.557 0.099 20 0 ICADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CCOC1 ZINC001503107387 1070539027 /nfs/dbraw/zinc/53/90/27/1070539027.db2.gz NQNOQQONERWOGR-LAUBAEHRSA-N 1 2 436.557 0.099 20 0 ICADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CCOC1 ZINC001503107389 1070538986 /nfs/dbraw/zinc/53/89/86/1070538986.db2.gz NQNOQQONERWOGR-UTKZUKDTSA-N 1 2 436.557 0.099 20 0 ICADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CCOC1 ZINC001503107390 1070538966 /nfs/dbraw/zinc/53/89/66/1070538966.db2.gz NQNOQQONERWOGR-UWJYYQICSA-N 1 2 436.557 0.099 20 0 ICADLO CCOCc1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503107449 1070539058 /nfs/dbraw/zinc/53/90/58/1070539058.db2.gz OKRATBZLZJGFJL-KRWDZBQOSA-N 1 2 430.557 0.960 20 0 ICADLO CCOCc1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503107449 1070539052 /nfs/dbraw/zinc/53/90/52/1070539052.db2.gz OKRATBZLZJGFJL-KRWDZBQOSA-N 1 2 430.557 0.960 20 0 ICADLO CCOCc1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503107450 1070539010 /nfs/dbraw/zinc/53/90/10/1070539010.db2.gz OKRATBZLZJGFJL-QGZVFWFLSA-N 1 2 430.557 0.960 20 0 ICADLO CCOCc1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503107450 1070538997 /nfs/dbraw/zinc/53/89/97/1070538997.db2.gz OKRATBZLZJGFJL-QGZVFWFLSA-N 1 2 430.557 0.960 20 0 ICADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCNC(=O)C(C)C ZINC001503108335 1070538878 /nfs/dbraw/zinc/53/88/78/1070538878.db2.gz UNHFYTNJEBBDGW-GOSISDBHSA-N 1 2 449.600 0.720 20 0 ICADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCNC(=O)C(C)C ZINC001503108336 1070538799 /nfs/dbraw/zinc/53/87/99/1070538799.db2.gz UNHFYTNJEBBDGW-SFHVURJKSA-N 1 2 449.600 0.720 20 0 ICADLO CCOCc1nnc(N2CCN(c3ncccn3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503108381 1070539093 /nfs/dbraw/zinc/53/90/93/1070539093.db2.gz FXJCRLOKPKOZLW-IBGZPJMESA-N 1 2 443.600 0.957 20 0 ICADLO CCOCc1nnc(N2CCN(c3ncccn3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503108383 1070538704 /nfs/dbraw/zinc/53/87/04/1070538704.db2.gz FXJCRLOKPKOZLW-LJQANCHMSA-N 1 2 443.600 0.957 20 0 ICADLO CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001503108771 1070539615 /nfs/dbraw/zinc/53/96/15/1070539615.db2.gz CSELEMXVNAAOFF-KRWDZBQOSA-N 1 2 441.598 0.940 20 0 ICADLO CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001503108772 1070539477 /nfs/dbraw/zinc/53/94/77/1070539477.db2.gz CSELEMXVNAAOFF-QGZVFWFLSA-N 1 2 441.598 0.940 20 0 ICADLO CCOCc1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CC(=O)N1CCOCC1 ZINC001503112425 1070541108 /nfs/dbraw/zinc/54/11/08/1070541108.db2.gz HLPKQQSOVGUKGZ-UHFFFAOYSA-N 1 2 433.513 0.292 20 0 ICADLO CCOCc1nnc(N2CCN(CC(F)F)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503112945 1070540714 /nfs/dbraw/zinc/54/07/14/1070540714.db2.gz LFQHOMVENLLBDD-UHFFFAOYSA-N 1 2 429.516 0.366 20 0 ICADLO CCOCc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503117166 1070543539 /nfs/dbraw/zinc/54/35/39/1070543539.db2.gz JYUKSTQZIROKKP-DYESRHJHSA-N 1 2 435.573 0.872 20 0 ICADLO CCOCc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503117172 1070543373 /nfs/dbraw/zinc/54/33/73/1070543373.db2.gz JYUKSTQZIROKKP-LAUBAEHRSA-N 1 2 435.573 0.872 20 0 ICADLO CCOCc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503117176 1070543657 /nfs/dbraw/zinc/54/36/57/1070543657.db2.gz JYUKSTQZIROKKP-UTKZUKDTSA-N 1 2 435.573 0.872 20 0 ICADLO CCOCc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503117180 1070543309 /nfs/dbraw/zinc/54/33/09/1070543309.db2.gz JYUKSTQZIROKKP-UWJYYQICSA-N 1 2 435.573 0.872 20 0 ICADLO CCOCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001503117296 1070543594 /nfs/dbraw/zinc/54/35/94/1070543594.db2.gz MOLBCMQQVZCJPD-HNNXBMFYSA-N 1 2 437.570 0.794 20 0 ICADLO CCOCc1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503123239 1070547182 /nfs/dbraw/zinc/54/71/82/1070547182.db2.gz HLAOYOFZVOAKIA-MOPGFXCFSA-N 1 2 436.557 0.363 20 0 ICADLO CCOCc1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503123242 1070546930 /nfs/dbraw/zinc/54/69/30/1070546930.db2.gz HLAOYOFZVOAKIA-OALUTQOASA-N 1 2 436.557 0.363 20 0 ICADLO CCOCc1nnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503123244 1070547165 /nfs/dbraw/zinc/54/71/65/1070547165.db2.gz HLAOYOFZVOAKIA-RBUKOAKNSA-N 1 2 436.557 0.363 20 0 ICADLO CCOCc1nnc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503123247 1070547235 /nfs/dbraw/zinc/54/72/35/1070547235.db2.gz HLAOYOFZVOAKIA-RTBURBONSA-N 1 2 436.557 0.363 20 0 ICADLO CCOCc1nnc(N2CCO[C@H](Cn3cccn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503123719 1070547216 /nfs/dbraw/zinc/54/72/16/1070547216.db2.gz JHMGJXFBIHDRDY-IBGZPJMESA-N 1 2 446.556 0.081 20 0 ICADLO CCOCc1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503123720 1070547041 /nfs/dbraw/zinc/54/70/41/1070547041.db2.gz JHMGJXFBIHDRDY-LJQANCHMSA-N 1 2 446.556 0.081 20 0 ICADLO CCOCc1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503131372 1070547800 /nfs/dbraw/zinc/54/78/00/1070547800.db2.gz UPXNJPIEHWKOTG-KSZLIROESA-N 1 2 435.573 0.775 20 0 ICADLO CCOCc1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503131373 1070548207 /nfs/dbraw/zinc/54/82/07/1070548207.db2.gz UPXNJPIEHWKOTG-KURKYZTESA-N 1 2 435.573 0.775 20 0 ICADLO CCOCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503190991 1070553066 /nfs/dbraw/zinc/55/30/66/1070553066.db2.gz ZDJFUCGDMYZXDD-KRWDZBQOSA-N 1 2 429.525 0.982 20 0 ICADLO CCOCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503190992 1070552952 /nfs/dbraw/zinc/55/29/52/1070552952.db2.gz ZDJFUCGDMYZXDD-QGZVFWFLSA-N 1 2 429.525 0.982 20 0 ICADLO CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503208429 1070555471 /nfs/dbraw/zinc/55/54/71/1070555471.db2.gz MLACMDYESDINLG-DLBZAZTESA-N 1 2 433.557 0.399 20 0 ICADLO CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503208430 1070555443 /nfs/dbraw/zinc/55/54/43/1070555443.db2.gz MLACMDYESDINLG-IAGOWNOFSA-N 1 2 433.557 0.399 20 0 ICADLO CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503208431 1070555299 /nfs/dbraw/zinc/55/52/99/1070555299.db2.gz MLACMDYESDINLG-IRXDYDNUSA-N 1 2 433.557 0.399 20 0 ICADLO CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503208432 1070555403 /nfs/dbraw/zinc/55/54/03/1070555403.db2.gz MLACMDYESDINLG-SJORKVTESA-N 1 2 433.557 0.399 20 0 ICADLO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[S@](=O)CC)CC1 ZINC001503215004 1070556692 /nfs/dbraw/zinc/55/66/92/1070556692.db2.gz AFXDRTBUPHWIDE-GDLZYMKVSA-N 1 2 426.587 0.441 20 0 ICADLO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[S@@](=O)CC)CC1 ZINC001503215006 1070556881 /nfs/dbraw/zinc/55/68/81/1070556881.db2.gz AFXDRTBUPHWIDE-LJAQVGFWSA-N 1 2 426.587 0.441 20 0 ICADLO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@@](C)=O)CC2)CC1 ZINC001503217379 1070557650 /nfs/dbraw/zinc/55/76/50/1070557650.db2.gz XSFGZBAGOJOHHR-GDLZYMKVSA-N 1 2 426.587 0.486 20 0 ICADLO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@](C)=O)CC2)CC1 ZINC001503217380 1070557509 /nfs/dbraw/zinc/55/75/09/1070557509.db2.gz XSFGZBAGOJOHHR-LJAQVGFWSA-N 1 2 426.587 0.486 20 0 ICADLO CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503254477 1070572290 /nfs/dbraw/zinc/57/22/90/1070572290.db2.gz OECHFZUAIDBLLS-CRAIPNDOSA-N 1 2 426.587 0.400 20 0 ICADLO CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503254477 1070572278 /nfs/dbraw/zinc/57/22/78/1070572278.db2.gz OECHFZUAIDBLLS-CRAIPNDOSA-N 1 2 426.587 0.400 20 0 ICADLO CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503254481 1070572125 /nfs/dbraw/zinc/57/21/25/1070572125.db2.gz OECHFZUAIDBLLS-MAUKXSAKSA-N 1 2 426.587 0.400 20 0 ICADLO CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503254481 1070572113 /nfs/dbraw/zinc/57/21/13/1070572113.db2.gz OECHFZUAIDBLLS-MAUKXSAKSA-N 1 2 426.587 0.400 20 0 ICADLO CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503254482 1070572200 /nfs/dbraw/zinc/57/22/00/1070572200.db2.gz OECHFZUAIDBLLS-QAPCUYQASA-N 1 2 426.587 0.400 20 0 ICADLO CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503254482 1070572187 /nfs/dbraw/zinc/57/21/87/1070572187.db2.gz OECHFZUAIDBLLS-QAPCUYQASA-N 1 2 426.587 0.400 20 0 ICADLO CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503254483 1070572408 /nfs/dbraw/zinc/57/24/08/1070572408.db2.gz OECHFZUAIDBLLS-YJBOKZPZSA-N 1 2 426.587 0.400 20 0 ICADLO CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503254483 1070572396 /nfs/dbraw/zinc/57/23/96/1070572396.db2.gz OECHFZUAIDBLLS-YJBOKZPZSA-N 1 2 426.587 0.400 20 0 ICADLO CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503261565 1070576831 /nfs/dbraw/zinc/57/68/31/1070576831.db2.gz BYLPRNIXJGEEOH-MRXNPFEDSA-N 1 2 435.554 0.989 20 0 ICADLO CCS(=O)(=O)N(C)CCCn1c(C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001503265934 1070578619 /nfs/dbraw/zinc/57/86/19/1070578619.db2.gz YJJIGJORUKELKL-UHFFFAOYSA-N 1 2 425.559 0.877 20 0 ICADLO CCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001503271553 1070582170 /nfs/dbraw/zinc/58/21/70/1070582170.db2.gz XUXDMJLCZFAJBW-HNNXBMFYSA-N 1 2 426.587 0.784 20 0 ICADLO CCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001503271553 1070582157 /nfs/dbraw/zinc/58/21/57/1070582157.db2.gz XUXDMJLCZFAJBW-HNNXBMFYSA-N 1 2 426.587 0.784 20 0 ICADLO CCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001503271554 1070582245 /nfs/dbraw/zinc/58/22/45/1070582245.db2.gz XUXDMJLCZFAJBW-OAHLLOKOSA-N 1 2 426.587 0.784 20 0 ICADLO CCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001503271554 1070582231 /nfs/dbraw/zinc/58/22/31/1070582231.db2.gz XUXDMJLCZFAJBW-OAHLLOKOSA-N 1 2 426.587 0.784 20 0 ICADLO CCS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503280890 1070589784 /nfs/dbraw/zinc/58/97/84/1070589784.db2.gz YBDNTQHLBPDFLB-KRWDZBQOSA-N 1 2 449.581 0.833 20 0 ICADLO CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503280891 1070589994 /nfs/dbraw/zinc/58/99/94/1070589994.db2.gz YBDNTQHLBPDFLB-QGZVFWFLSA-N 1 2 449.581 0.833 20 0 ICADLO CCS(=O)(=O)NCCn1c(-c2ccc(C)o2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503281016 1070590522 /nfs/dbraw/zinc/59/05/22/1070590522.db2.gz UTTUSPLCQRTWDA-UHFFFAOYSA-N 1 2 426.543 0.554 20 0 ICADLO CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001503285472 1070595307 /nfs/dbraw/zinc/59/53/07/1070595307.db2.gz JETCYKJFCVGANB-BJLXPSRBSA-N 1 2 438.598 0.441 20 0 ICADLO CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001503285473 1070595452 /nfs/dbraw/zinc/59/54/52/1070595452.db2.gz JETCYKJFCVGANB-NOVUIFNWSA-N 1 2 438.598 0.441 20 0 ICADLO CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001503285474 1070595471 /nfs/dbraw/zinc/59/54/71/1070595471.db2.gz JETCYKJFCVGANB-ZOKDDAQRSA-N 1 2 438.598 0.441 20 0 ICADLO CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001503285475 1070595260 /nfs/dbraw/zinc/59/52/60/1070595260.db2.gz JETCYKJFCVGANB-ZQHDKMAOSA-N 1 2 438.598 0.441 20 0 ICADLO CC[S@](=O)CCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001503287563 1070597555 /nfs/dbraw/zinc/59/75/55/1070597555.db2.gz BUNBVIHBWZIWKY-PMERELPUSA-N 1 2 434.570 0.308 20 0 ICADLO CC[S@](=O)CCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001503287563 1070597544 /nfs/dbraw/zinc/59/75/44/1070597544.db2.gz BUNBVIHBWZIWKY-PMERELPUSA-N 1 2 434.570 0.308 20 0 ICADLO CC[S@@](=O)CCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001503287564 1070597590 /nfs/dbraw/zinc/59/75/90/1070597590.db2.gz BUNBVIHBWZIWKY-SSEXGKCCSA-N 1 2 434.570 0.308 20 0 ICADLO CC[S@@](=O)CCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001503287564 1070597581 /nfs/dbraw/zinc/59/75/81/1070597581.db2.gz BUNBVIHBWZIWKY-SSEXGKCCSA-N 1 2 434.570 0.308 20 0 ICADLO CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503291077 1070599193 /nfs/dbraw/zinc/59/91/93/1070599193.db2.gz RJYYMZJTJPFLKV-PMERELPUSA-N 1 2 434.570 0.610 20 0 ICADLO CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503291079 1070599119 /nfs/dbraw/zinc/59/91/19/1070599119.db2.gz RJYYMZJTJPFLKV-SSEXGKCCSA-N 1 2 434.570 0.610 20 0 ICADLO CC[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503298381 1070602205 /nfs/dbraw/zinc/60/22/05/1070602205.db2.gz MEICKJDHQBBLFI-CKEPMJMJSA-N 1 2 426.587 0.543 20 0 ICADLO CC[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503298381 1070602196 /nfs/dbraw/zinc/60/21/96/1070602196.db2.gz MEICKJDHQBBLFI-CKEPMJMJSA-N 1 2 426.587 0.543 20 0 ICADLO CC[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503298383 1070601992 /nfs/dbraw/zinc/60/19/92/1070601992.db2.gz MEICKJDHQBBLFI-ISSKPRFKSA-N 1 2 426.587 0.543 20 0 ICADLO CC[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503298383 1070601985 /nfs/dbraw/zinc/60/19/85/1070601985.db2.gz MEICKJDHQBBLFI-ISSKPRFKSA-N 1 2 426.587 0.543 20 0 ICADLO CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503298385 1070602141 /nfs/dbraw/zinc/60/21/41/1070602141.db2.gz MEICKJDHQBBLFI-KBKKHZGZSA-N 1 2 426.587 0.543 20 0 ICADLO CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503298385 1070602135 /nfs/dbraw/zinc/60/21/35/1070602135.db2.gz MEICKJDHQBBLFI-KBKKHZGZSA-N 1 2 426.587 0.543 20 0 ICADLO CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503298387 1070602117 /nfs/dbraw/zinc/60/21/17/1070602117.db2.gz MEICKJDHQBBLFI-VMOBSNDRSA-N 1 2 426.587 0.543 20 0 ICADLO CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503298387 1070602113 /nfs/dbraw/zinc/60/21/13/1070602113.db2.gz MEICKJDHQBBLFI-VMOBSNDRSA-N 1 2 426.587 0.543 20 0 ICADLO CN(C)C(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503366602 1070614312 /nfs/dbraw/zinc/61/43/12/1070614312.db2.gz CGNDYDWHYYIXNR-UHFFFAOYSA-N 1 2 440.552 0.903 20 0 ICADLO CN(C)C(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503368091 1070615960 /nfs/dbraw/zinc/61/59/60/1070615960.db2.gz OSAITILUYVMFNO-UHFFFAOYSA-N 1 2 430.509 0.921 20 0 ICADLO CN(C)C(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503371907 1070618906 /nfs/dbraw/zinc/61/89/06/1070618906.db2.gz OHQPCYQKOFEDJW-UHFFFAOYSA-N 1 2 430.509 0.573 20 0 ICADLO CN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503375527 1070623516 /nfs/dbraw/zinc/62/35/16/1070623516.db2.gz SDRIPABMOHHFFZ-UHFFFAOYSA-N 1 2 435.554 0.126 20 0 ICADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(CN3CCCC3=O)n1CCOCCCO)C2 ZINC001503391186 1070630882 /nfs/dbraw/zinc/63/08/82/1070630882.db2.gz KKLMUUZUWGJVJW-UHFFFAOYSA-N 1 2 443.552 0.823 20 0 ICADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(C(=O)N3CCCC3)n1CCOCCCO)C2 ZINC001503391532 1070631816 /nfs/dbraw/zinc/63/18/16/1070631816.db2.gz GYLJWEFRFPTWCH-UHFFFAOYSA-N 1 2 443.552 0.937 20 0 ICADLO CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCCS(C)(=O)=O)c[nH+]1 ZINC001503391653 1070631669 /nfs/dbraw/zinc/63/16/69/1070631669.db2.gz CSETZUYNTKUTQK-HNNXBMFYSA-N 1 2 435.554 0.609 20 0 ICADLO CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCCS(C)(=O)=O)c[nH+]1 ZINC001503391655 1070631884 /nfs/dbraw/zinc/63/18/84/1070631884.db2.gz CSETZUYNTKUTQK-OAHLLOKOSA-N 1 2 435.554 0.609 20 0 ICADLO CN(C)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)c[nH+]1 ZINC001503392031 1070631704 /nfs/dbraw/zinc/63/17/04/1070631704.db2.gz BOCPKCZKZMQCTN-INIZCTEOSA-N 1 2 435.554 0.721 20 0 ICADLO CN(C)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)c[nH+]1 ZINC001503392034 1070631947 /nfs/dbraw/zinc/63/19/47/1070631947.db2.gz BOCPKCZKZMQCTN-MRXNPFEDSA-N 1 2 435.554 0.721 20 0 ICADLO CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)c[nH+]1 ZINC001503392093 1070631745 /nfs/dbraw/zinc/63/17/45/1070631745.db2.gz CCEISRNTGTXDCZ-INIZCTEOSA-N 1 2 447.565 0.391 20 0 ICADLO CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)c[nH+]1 ZINC001503392097 1070631685 /nfs/dbraw/zinc/63/16/85/1070631685.db2.gz CCEISRNTGTXDCZ-MRXNPFEDSA-N 1 2 447.565 0.391 20 0 ICADLO CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)c[nH+]1 ZINC001503392748 1070631980 /nfs/dbraw/zinc/63/19/80/1070631980.db2.gz JHGYRJGNZZCYAS-INIZCTEOSA-N 1 2 442.524 0.034 20 0 ICADLO CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)c[nH+]1 ZINC001503392753 1070631655 /nfs/dbraw/zinc/63/16/55/1070631655.db2.gz JHGYRJGNZZCYAS-MRXNPFEDSA-N 1 2 442.524 0.034 20 0 ICADLO CN(C)c1ccc(Cn2c(-c3cnccn3)nnc2N(C)CC(=O)N2CCOCC2)c[nH+]1 ZINC001503393744 1070631783 /nfs/dbraw/zinc/63/17/83/1070631783.db2.gz PWXIPUPCWGCDOL-UHFFFAOYSA-N 1 2 437.508 0.539 20 0 ICADLO CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)c[nH+]1 ZINC001503393755 1070631851 /nfs/dbraw/zinc/63/18/51/1070631851.db2.gz QEIABOZXIOXVRK-INIZCTEOSA-N 1 2 442.524 0.209 20 0 ICADLO CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)c[nH+]1 ZINC001503393756 1070631928 /nfs/dbraw/zinc/63/19/28/1070631928.db2.gz QEIABOZXIOXVRK-MRXNPFEDSA-N 1 2 442.524 0.209 20 0 ICADLO CN(C)c1ccc(Cn2c(Cc3cccnc3)nnc2N(C)CCNS(C)(=O)=O)c[nH+]1 ZINC001503394370 1070631722 /nfs/dbraw/zinc/63/17/22/1070631722.db2.gz RLNYRRWNCVDRSV-UHFFFAOYSA-N 1 2 444.565 0.759 20 0 ICADLO CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCS(C)(=O)=O)C2CC2)c[nH+]1 ZINC001503395100 1070631638 /nfs/dbraw/zinc/63/16/38/1070631638.db2.gz ZZKNKCFZOAIPGD-INIZCTEOSA-N 1 2 447.565 0.752 20 0 ICADLO CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCS(C)(=O)=O)C2CC2)c[nH+]1 ZINC001503395102 1070631998 /nfs/dbraw/zinc/63/19/98/1070631998.db2.gz ZZKNKCFZOAIPGD-MRXNPFEDSA-N 1 2 447.565 0.752 20 0 ICADLO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC001503424180 1070651494 /nfs/dbraw/zinc/65/14/94/1070651494.db2.gz IIGNXZIUTRTTJZ-INIZCTEOSA-N 1 2 442.586 0.320 20 0 ICADLO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC001503424182 1070651180 /nfs/dbraw/zinc/65/11/80/1070651180.db2.gz IIGNXZIUTRTTJZ-MRXNPFEDSA-N 1 2 442.586 0.320 20 0 ICADLO CN(CC(=O)NC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001503439426 1070661273 /nfs/dbraw/zinc/66/12/73/1070661273.db2.gz NZHHSNUGNKXGTM-UHFFFAOYSA-N 1 2 449.600 0.976 20 0 ICADLO CN(CC(=O)NC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001503439426 1070661266 /nfs/dbraw/zinc/66/12/66/1070661266.db2.gz NZHHSNUGNKXGTM-UHFFFAOYSA-N 1 2 449.600 0.976 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001503617647 1070687079 /nfs/dbraw/zinc/68/70/79/1070687079.db2.gz ABPCDGJILNKKRI-KRWDZBQOSA-N 1 2 442.524 0.021 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(N)=O)c1 ZINC001503617658 1070686937 /nfs/dbraw/zinc/68/69/37/1070686937.db2.gz AJJTXGXXQLZXHJ-GOSISDBHSA-N 1 2 441.536 0.339 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(N)=O)c1 ZINC001503617659 1070687094 /nfs/dbraw/zinc/68/70/94/1070687094.db2.gz AJJTXGXXQLZXHJ-SFHVURJKSA-N 1 2 441.536 0.339 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 ZINC001503617700 1070686866 /nfs/dbraw/zinc/68/68/66/1070686866.db2.gz BPFOFFKYXNVZMD-INIZCTEOSA-N 1 2 442.586 0.180 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 ZINC001503617701 1070687034 /nfs/dbraw/zinc/68/70/34/1070687034.db2.gz BPFOFFKYXNVZMD-MRXNPFEDSA-N 1 2 442.586 0.180 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccco1 ZINC001503618113 1070686904 /nfs/dbraw/zinc/68/69/04/1070686904.db2.gz FNTJGXAASJSEFZ-UHFFFAOYSA-N 1 2 445.524 0.306 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O ZINC001503618155 1070687015 /nfs/dbraw/zinc/68/70/15/1070687015.db2.gz FIKNJLIILPOJRZ-UHFFFAOYSA-N 1 2 449.581 0.068 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001503618242 1070686953 /nfs/dbraw/zinc/68/69/53/1070686953.db2.gz IGXKUSBQUNAEKN-INIZCTEOSA-N 1 2 428.603 0.626 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001503618243 1070687825 /nfs/dbraw/zinc/68/78/25/1070687825.db2.gz IGXKUSBQUNAEKN-MRXNPFEDSA-N 1 2 428.603 0.626 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccc2F)n1CCCn1cnnn1 ZINC001503618837 1070687775 /nfs/dbraw/zinc/68/77/75/1070687775.db2.gz LRNQYCGEGGUSEC-UHFFFAOYSA-N 1 2 429.504 0.853 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CCCn1cc(CO)nn1 ZINC001503618893 1070687651 /nfs/dbraw/zinc/68/76/51/1070687651.db2.gz AJNOXCUPJAHJSA-UHFFFAOYSA-N 1 2 426.525 0.888 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C2CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001503618999 1070687587 /nfs/dbraw/zinc/68/75/87/1070687587.db2.gz CASXJTVKKYGGCV-UHFFFAOYSA-N 1 2 441.536 0.187 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001503619088 1070687818 /nfs/dbraw/zinc/68/78/18/1070687818.db2.gz DQUUBDIAWSNOOG-GOSISDBHSA-N 1 2 449.581 0.533 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCOCC1 ZINC001503619133 1070687678 /nfs/dbraw/zinc/68/76/78/1070687678.db2.gz SRHHWKXUDJQLIR-UHFFFAOYSA-N 1 2 445.524 0.235 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(N)=O)cc1 ZINC001503619356 1070688542 /nfs/dbraw/zinc/68/85/42/1070688542.db2.gz GVPMQNOOVBRGNK-UHFFFAOYSA-N 1 2 439.524 0.986 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1CCCn1cnnn1 ZINC001503619964 1070688533 /nfs/dbraw/zinc/68/85/33/1070688533.db2.gz VKYMKJJMLRPMMK-UHFFFAOYSA-N 1 2 429.504 0.853 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1CC(=O)N1CCOCC1 ZINC001503619990 1070688481 /nfs/dbraw/zinc/68/84/81/1070688481.db2.gz WFPOXZOPVZNTPK-UHFFFAOYSA-N 1 2 446.527 0.635 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 ZINC001503620011 1070688390 /nfs/dbraw/zinc/68/83/90/1070688390.db2.gz WWUXBIWYQXPFOB-HNNXBMFYSA-N 1 2 447.565 0.489 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 ZINC001503620012 1070688304 /nfs/dbraw/zinc/68/83/04/1070688304.db2.gz WWUXBIWYQXPFOB-OAHLLOKOSA-N 1 2 447.565 0.489 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccc2F)n1CC(=O)N1CCOCC1 ZINC001503620198 1070688329 /nfs/dbraw/zinc/68/83/29/1070688329.db2.gz ZMVOYSCQBQGPJQ-UHFFFAOYSA-N 1 2 446.527 0.635 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001503620302 1070689041 /nfs/dbraw/zinc/68/90/41/1070689041.db2.gz UDOOYPBSBCJWFC-KRWDZBQOSA-N 1 2 427.509 0.702 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1CCC(=O)N1CCCCC1 ZINC001503620408 1070689191 /nfs/dbraw/zinc/68/91/91/1070689191.db2.gz YHUXMTAPWKVMLB-UHFFFAOYSA-N 1 2 428.541 0.906 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1Cc1nccn1C(F)F ZINC001503621385 1070688946 /nfs/dbraw/zinc/68/89/46/1070688946.db2.gz OQYGOEGWMVPOKF-UHFFFAOYSA-N 1 2 438.483 0.809 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(CCc2ccccc2)n1CC(=O)N1CCOCC1 ZINC001503622044 1070690064 /nfs/dbraw/zinc/69/00/64/1070690064.db2.gz WBQYTNMSKAOSQF-UHFFFAOYSA-N 1 2 442.564 0.691 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1Cc1ccn(C)n1 ZINC001503622402 1070690581 /nfs/dbraw/zinc/69/05/81/1070690581.db2.gz ZJXDYIOWMXBVTC-UHFFFAOYSA-N 1 2 444.565 0.820 20 0 ICADLO CN(CCNS(C)(=O)=O)c1nnc(-c2cccn2C)n1CC1([NH+]2CCOCC2)CC1 ZINC001503622908 1070691450 /nfs/dbraw/zinc/69/14/50/1070691450.db2.gz YHZMRSGSPFZLFO-UHFFFAOYSA-N 1 2 437.570 0.134 20 0 ICADLO CN(CCNS(C)(=O)=O)c1nnc(C2CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503623189 1070692974 /nfs/dbraw/zinc/69/29/74/1070692974.db2.gz AAKFBYNOOIGVPR-UHFFFAOYSA-N 1 2 435.554 0.421 20 0 ICADLO CN(CCNS(C)(=O)=O)c1nnc(Cc2cccnc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001503623462 1070692961 /nfs/dbraw/zinc/69/29/61/1070692961.db2.gz ZXALOHZJTALBSA-UHFFFAOYSA-N 1 2 449.581 0.114 20 0 ICADLO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001503635296 1070697078 /nfs/dbraw/zinc/69/70/78/1070697078.db2.gz HPYFDNLAWVFPQO-INIZCTEOSA-N 1 2 443.533 0.944 20 0 ICADLO CN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001503635297 1070696919 /nfs/dbraw/zinc/69/69/19/1070696919.db2.gz HPYFDNLAWVFPQO-MRXNPFEDSA-N 1 2 443.533 0.944 20 0 ICADLO CN(CCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCC1 ZINC001503638011 1070699181 /nfs/dbraw/zinc/69/91/81/1070699181.db2.gz XNCZFCYRNCVLJN-HNNXBMFYSA-N 1 2 433.600 0.147 20 0 ICADLO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCC1 ZINC001503638012 1070699141 /nfs/dbraw/zinc/69/91/41/1070699141.db2.gz XNCZFCYRNCVLJN-OAHLLOKOSA-N 1 2 433.600 0.147 20 0 ICADLO Cn1cccc1-c1nnc(N2CC[NH+](CC(=O)N3CCCC3)CC2)n1CCOCCCO ZINC001503670496 1070708896 /nfs/dbraw/zinc/70/88/96/1070708896.db2.gz VILMJLJUHDMSSQ-UHFFFAOYSA-N 1 2 445.568 0.427 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001503703391 1070730574 /nfs/dbraw/zinc/73/05/74/1070730574.db2.gz HPYZFBOHSWGRFC-INIZCTEOSA-N 1 2 435.573 0.443 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001503703391 1070730557 /nfs/dbraw/zinc/73/05/57/1070730557.db2.gz HPYZFBOHSWGRFC-INIZCTEOSA-N 1 2 435.573 0.443 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001503703396 1070730448 /nfs/dbraw/zinc/73/04/48/1070730448.db2.gz HPYZFBOHSWGRFC-MRXNPFEDSA-N 1 2 435.573 0.443 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001503703396 1070730432 /nfs/dbraw/zinc/73/04/32/1070730432.db2.gz HPYZFBOHSWGRFC-MRXNPFEDSA-N 1 2 435.573 0.443 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001503704361 1070731045 /nfs/dbraw/zinc/73/10/45/1070731045.db2.gz KZSCDKMVAPGHKA-DLBZAZTESA-N 1 2 437.589 0.591 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001503704362 1070731208 /nfs/dbraw/zinc/73/12/08/1070731208.db2.gz KZSCDKMVAPGHKA-IAGOWNOFSA-N 1 2 437.589 0.591 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001503704363 1070730994 /nfs/dbraw/zinc/73/09/94/1070730994.db2.gz KZSCDKMVAPGHKA-IRXDYDNUSA-N 1 2 437.589 0.591 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001503704365 1070731175 /nfs/dbraw/zinc/73/11/75/1070731175.db2.gz KZSCDKMVAPGHKA-SJORKVTESA-N 1 2 437.589 0.591 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001503715306 1070735110 /nfs/dbraw/zinc/73/51/10/1070735110.db2.gz BZICTDFEGFWCTH-CVEARBPZSA-N 1 2 449.581 0.896 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001503715309 1070735230 /nfs/dbraw/zinc/73/52/30/1070735230.db2.gz BZICTDFEGFWCTH-HOTGVXAUSA-N 1 2 449.581 0.896 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001503715312 1070735183 /nfs/dbraw/zinc/73/51/83/1070735183.db2.gz BZICTDFEGFWCTH-HZPDHXFCSA-N 1 2 449.581 0.896 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001503715314 1070735348 /nfs/dbraw/zinc/73/53/48/1070735348.db2.gz BZICTDFEGFWCTH-JKSUJKDBSA-N 1 2 449.581 0.896 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c[nH+]ccc1OC ZINC001503715759 1070735811 /nfs/dbraw/zinc/73/58/11/1070735811.db2.gz DZGHQNDZQOCPRQ-KBPBESRZSA-N 1 2 436.538 0.450 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c[nH+]ccc1OC ZINC001503715760 1070735963 /nfs/dbraw/zinc/73/59/63/1070735963.db2.gz DZGHQNDZQOCPRQ-KGLIPLIRSA-N 1 2 436.538 0.450 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c[nH+]ccc1OC ZINC001503715761 1070735788 /nfs/dbraw/zinc/73/57/88/1070735788.db2.gz DZGHQNDZQOCPRQ-UONOGXRCSA-N 1 2 436.538 0.450 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c[nH+]ccc1OC ZINC001503715762 1070735883 /nfs/dbraw/zinc/73/58/83/1070735883.db2.gz DZGHQNDZQOCPRQ-ZIAGYGMSSA-N 1 2 436.538 0.450 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CC[N@H+]1CCOC[C@H]1C ZINC001503716294 1070735756 /nfs/dbraw/zinc/73/57/56/1070735756.db2.gz UUKCSVMNBIGOFF-CRAIPNDOSA-N 1 2 432.573 0.679 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503716294 1070735746 /nfs/dbraw/zinc/73/57/46/1070735746.db2.gz UUKCSVMNBIGOFF-CRAIPNDOSA-N 1 2 432.573 0.679 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CC[N@H+]1CCOC[C@H]1C ZINC001503716301 1070736010 /nfs/dbraw/zinc/73/60/10/1070736010.db2.gz UUKCSVMNBIGOFF-MAUKXSAKSA-N 1 2 432.573 0.679 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503716301 1070735998 /nfs/dbraw/zinc/73/59/98/1070735998.db2.gz UUKCSVMNBIGOFF-MAUKXSAKSA-N 1 2 432.573 0.679 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503716303 1070735926 /nfs/dbraw/zinc/73/59/26/1070735926.db2.gz UUKCSVMNBIGOFF-QAPCUYQASA-N 1 2 432.573 0.679 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503716303 1070735913 /nfs/dbraw/zinc/73/59/13/1070735913.db2.gz UUKCSVMNBIGOFF-QAPCUYQASA-N 1 2 432.573 0.679 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503716304 1070735854 /nfs/dbraw/zinc/73/58/54/1070735854.db2.gz UUKCSVMNBIGOFF-YJBOKZPZSA-N 1 2 432.573 0.679 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503716304 1070735840 /nfs/dbraw/zinc/73/58/40/1070735840.db2.gz UUKCSVMNBIGOFF-YJBOKZPZSA-N 1 2 432.573 0.679 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503718819 1070737165 /nfs/dbraw/zinc/73/71/65/1070737165.db2.gz CAWAJCMKUZUSKB-BDXSIMOUSA-N 1 2 438.573 0.541 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503718821 1070737195 /nfs/dbraw/zinc/73/71/95/1070737195.db2.gz CAWAJCMKUZUSKB-MHORFTMASA-N 1 2 438.573 0.541 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503718823 1070737494 /nfs/dbraw/zinc/73/74/94/1070737494.db2.gz CAWAJCMKUZUSKB-OWSLCNJRSA-N 1 2 438.573 0.541 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503718835 1070737260 /nfs/dbraw/zinc/73/72/60/1070737260.db2.gz CAWAJCMKUZUSKB-XSLAGTTESA-N 1 2 438.573 0.541 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001503722353 1070740478 /nfs/dbraw/zinc/74/04/78/1070740478.db2.gz VNEVTWJKGDNBKF-JOCHJYFZSA-N 1 2 447.584 0.587 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001503722354 1070740390 /nfs/dbraw/zinc/74/03/90/1070740390.db2.gz VNEVTWJKGDNBKF-QFIPXVFZSA-N 1 2 447.584 0.587 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001503730760 1070743869 /nfs/dbraw/zinc/74/38/69/1070743869.db2.gz LFOIAWPDEPOGCJ-HTAPYJJXSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001503730766 1070744035 /nfs/dbraw/zinc/74/40/35/1070744035.db2.gz LFOIAWPDEPOGCJ-JTSKRJEESA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001503730771 1070744202 /nfs/dbraw/zinc/74/42/02/1070744202.db2.gz LFOIAWPDEPOGCJ-VGOFRKELSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001503730778 1070744083 /nfs/dbraw/zinc/74/40/83/1070744083.db2.gz LFOIAWPDEPOGCJ-VGSWGCGISA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001503736745 1070746336 /nfs/dbraw/zinc/74/63/36/1070746336.db2.gz WYURQALSTQJUGU-JXFKEZNVSA-N 1 2 436.582 0.405 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001503736745 1070746322 /nfs/dbraw/zinc/74/63/22/1070746322.db2.gz WYURQALSTQJUGU-JXFKEZNVSA-N 1 2 436.582 0.405 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001503736746 1070746496 /nfs/dbraw/zinc/74/64/96/1070746496.db2.gz WYURQALSTQJUGU-OXJNMPFZSA-N 1 2 436.582 0.405 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001503736746 1070746486 /nfs/dbraw/zinc/74/64/86/1070746486.db2.gz WYURQALSTQJUGU-OXJNMPFZSA-N 1 2 436.582 0.405 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001503736747 1070746291 /nfs/dbraw/zinc/74/62/91/1070746291.db2.gz WYURQALSTQJUGU-OXQOHEQNSA-N 1 2 436.582 0.405 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001503736747 1070746277 /nfs/dbraw/zinc/74/62/77/1070746277.db2.gz WYURQALSTQJUGU-OXQOHEQNSA-N 1 2 436.582 0.405 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001503736748 1070746447 /nfs/dbraw/zinc/74/64/47/1070746447.db2.gz WYURQALSTQJUGU-UZLBHIALSA-N 1 2 436.582 0.405 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001503736748 1070746436 /nfs/dbraw/zinc/74/64/36/1070746436.db2.gz WYURQALSTQJUGU-UZLBHIALSA-N 1 2 436.582 0.405 20 0 ICADLO CNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001503759200 1070756032 /nfs/dbraw/zinc/75/60/32/1070756032.db2.gz FDSLVCNFBXVYGU-DLBZAZTESA-N 1 2 438.573 0.685 20 0 ICADLO CNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001503759201 1070755939 /nfs/dbraw/zinc/75/59/39/1070755939.db2.gz FDSLVCNFBXVYGU-IAGOWNOFSA-N 1 2 438.573 0.685 20 0 ICADLO CNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001503759202 1070755861 /nfs/dbraw/zinc/75/58/61/1070755861.db2.gz FDSLVCNFBXVYGU-IRXDYDNUSA-N 1 2 438.573 0.685 20 0 ICADLO CNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001503759203 1070755971 /nfs/dbraw/zinc/75/59/71/1070755971.db2.gz FDSLVCNFBXVYGU-SJORKVTESA-N 1 2 438.573 0.685 20 0 ICADLO CNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001503766363 1070757653 /nfs/dbraw/zinc/75/76/53/1070757653.db2.gz JMIKMEIBGDKEEU-IBGZPJMESA-N 1 2 447.584 0.646 20 0 ICADLO CNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001503766364 1070757680 /nfs/dbraw/zinc/75/76/80/1070757680.db2.gz JMIKMEIBGDKEEU-LJQANCHMSA-N 1 2 447.584 0.646 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001503769979 1070761023 /nfs/dbraw/zinc/76/10/23/1070761023.db2.gz UTOFDBLQBJNCRN-KRWDZBQOSA-N 1 2 429.525 0.704 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001503769980 1070760930 /nfs/dbraw/zinc/76/09/30/1070760930.db2.gz UTOFDBLQBJNCRN-QGZVFWFLSA-N 1 2 429.525 0.704 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(C(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CCO1 ZINC001503777486 1070770193 /nfs/dbraw/zinc/77/01/93/1070770193.db2.gz RNCFZYCMRJUHLU-KRWDZBQOSA-N 1 2 429.525 0.633 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(C(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CCO1 ZINC001503777488 1070770318 /nfs/dbraw/zinc/77/03/18/1070770318.db2.gz RNCFZYCMRJUHLU-QGZVFWFLSA-N 1 2 429.525 0.633 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001503779608 1070773233 /nfs/dbraw/zinc/77/32/33/1070773233.db2.gz OBWQVMBPFCUDFH-AZUAARDMSA-N 1 2 442.564 0.849 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001503779608 1070773221 /nfs/dbraw/zinc/77/32/21/1070773221.db2.gz OBWQVMBPFCUDFH-AZUAARDMSA-N 1 2 442.564 0.849 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001503779610 1070772959 /nfs/dbraw/zinc/77/29/59/1070772959.db2.gz OBWQVMBPFCUDFH-ICSRJNTNSA-N 1 2 442.564 0.849 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001503779610 1070772947 /nfs/dbraw/zinc/77/29/47/1070772947.db2.gz OBWQVMBPFCUDFH-ICSRJNTNSA-N 1 2 442.564 0.849 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001503779612 1070773149 /nfs/dbraw/zinc/77/31/49/1070773149.db2.gz OBWQVMBPFCUDFH-QUCCMNQESA-N 1 2 442.564 0.849 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001503779612 1070773142 /nfs/dbraw/zinc/77/31/42/1070773142.db2.gz OBWQVMBPFCUDFH-QUCCMNQESA-N 1 2 442.564 0.849 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001503779615 1070773090 /nfs/dbraw/zinc/77/30/90/1070773090.db2.gz OBWQVMBPFCUDFH-UYAOXDASSA-N 1 2 442.564 0.849 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001503779615 1070773079 /nfs/dbraw/zinc/77/30/79/1070773079.db2.gz OBWQVMBPFCUDFH-UYAOXDASSA-N 1 2 442.564 0.849 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCO1 ZINC001503780339 1070775017 /nfs/dbraw/zinc/77/50/17/1070775017.db2.gz ZLRMLLLSRASXMY-PMACEKPBSA-N 1 2 428.537 0.920 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCO1 ZINC001503780342 1070775195 /nfs/dbraw/zinc/77/51/95/1070775195.db2.gz ZLRMLLLSRASXMY-UXHICEINSA-N 1 2 428.537 0.920 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCO1 ZINC001503780343 1070775088 /nfs/dbraw/zinc/77/50/88/1070775088.db2.gz ZLRMLLLSRASXMY-VQTJNVASSA-N 1 2 428.537 0.920 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCO1 ZINC001503780344 1070774993 /nfs/dbraw/zinc/77/49/93/1070774993.db2.gz ZLRMLLLSRASXMY-WOJBJXKFSA-N 1 2 428.537 0.920 20 0 ICADLO CNC(=O)CC1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001503783436 1070778986 /nfs/dbraw/zinc/77/89/86/1070778986.db2.gz MAUFEXIUJPTVBG-UHFFFAOYSA-N 1 2 449.600 0.880 20 0 ICADLO CNC(=O)CC1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001503783436 1070778978 /nfs/dbraw/zinc/77/89/78/1070778978.db2.gz MAUFEXIUJPTVBG-UHFFFAOYSA-N 1 2 449.600 0.880 20 0 ICADLO CNC(=O)CCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001503790242 1070782276 /nfs/dbraw/zinc/78/22/76/1070782276.db2.gz ZUHUBJAMPCNEFK-GOSISDBHSA-N 1 2 449.600 0.833 20 0 ICADLO CNC(=O)CCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001503790243 1070782134 /nfs/dbraw/zinc/78/21/34/1070782134.db2.gz ZUHUBJAMPCNEFK-SFHVURJKSA-N 1 2 449.600 0.833 20 0 ICADLO CNC(=O)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001503790380 1070782312 /nfs/dbraw/zinc/78/23/12/1070782312.db2.gz WWILBJZRRWWQSK-KRWDZBQOSA-N 1 2 447.584 0.474 20 0 ICADLO CNC(=O)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001503790382 1070782075 /nfs/dbraw/zinc/78/20/75/1070782075.db2.gz WWILBJZRRWWQSK-QGZVFWFLSA-N 1 2 447.584 0.474 20 0 ICADLO CNC(=O)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCOCC1(C)C ZINC001503795251 1070783165 /nfs/dbraw/zinc/78/31/65/1070783165.db2.gz GWMVWEYTJCOSDR-UHFFFAOYSA-N 1 2 444.540 0.609 20 0 ICADLO CNC(=O)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCOCC1(C)C ZINC001503795251 1070783156 /nfs/dbraw/zinc/78/31/56/1070783156.db2.gz GWMVWEYTJCOSDR-UHFFFAOYSA-N 1 2 444.540 0.609 20 0 ICADLO CNC(=O)CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001503799870 1070785703 /nfs/dbraw/zinc/78/57/03/1070785703.db2.gz AWOMZDVZTYODEI-UHFFFAOYSA-N 1 2 437.508 0.587 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503803160 1070786612 /nfs/dbraw/zinc/78/66/12/1070786612.db2.gz MHUYKZMXBMDCEQ-KRWDZBQOSA-N 1 2 429.525 0.634 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503803161 1070786844 /nfs/dbraw/zinc/78/68/44/1070786844.db2.gz MHUYKZMXBMDCEQ-QGZVFWFLSA-N 1 2 429.525 0.634 20 0 ICADLO CNC(=O)CCN(C)c1nnc(Cc2cccnc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503804473 1070786771 /nfs/dbraw/zinc/78/67/71/1070786771.db2.gz QIRGBVYIHYOQBB-UHFFFAOYSA-N 1 2 428.541 0.000 20 0 ICADLO CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001503805840 1070789234 /nfs/dbraw/zinc/78/92/34/1070789234.db2.gz BFWKANLAZWQHEH-UHFFFAOYSA-N 1 2 427.513 0.075 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)[NH+]1CCOCC1 ZINC001503806376 1070789585 /nfs/dbraw/zinc/78/95/85/1070789585.db2.gz IQAZKLXJQIJSCQ-WMZOPIPTSA-N 1 2 438.573 0.685 20 0 ICADLO CNC(=O)CCn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001503812816 1070792981 /nfs/dbraw/zinc/79/29/81/1070792981.db2.gz FJUOCDNBYQDKOR-UHFFFAOYSA-N 1 2 428.541 0.164 20 0 ICADLO CNC(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503813308 1070793748 /nfs/dbraw/zinc/79/37/48/1070793748.db2.gz LCMJXSUYTGDMOY-KRWDZBQOSA-N 1 2 440.552 0.609 20 0 ICADLO CNC(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503813409 1070793653 /nfs/dbraw/zinc/79/36/53/1070793653.db2.gz LCMJXSUYTGDMOY-QGZVFWFLSA-N 1 2 440.552 0.609 20 0 ICADLO CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001503814151 1070794269 /nfs/dbraw/zinc/79/42/69/1070794269.db2.gz CLHQVSFHJSLLIG-HNNXBMFYSA-N 1 2 432.554 0.452 20 0 ICADLO CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001503814153 1070794635 /nfs/dbraw/zinc/79/46/35/1070794635.db2.gz CLHQVSFHJSLLIG-OAHLLOKOSA-N 1 2 432.554 0.452 20 0 ICADLO CNC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503818910 1070799060 /nfs/dbraw/zinc/79/90/60/1070799060.db2.gz ZBKXUGLTJJZFBZ-UHFFFAOYSA-N 1 2 426.525 0.421 20 0 ICADLO CNC(=O)CCn1c(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nnc1C(C)(C)C ZINC001503819154 1070799162 /nfs/dbraw/zinc/79/91/62/1070799162.db2.gz BEEQTJKCRLVNEM-UHFFFAOYSA-N 1 2 426.529 0.715 20 0 ICADLO CNc1cc(N2CCC[C@H]2Cn2c(C)nnc2N2CCC(NC(=O)COC)CC2)[nH+]cn1 ZINC001503830221 1070810311 /nfs/dbraw/zinc/81/03/11/1070810311.db2.gz JWIZUMJSIOCYIK-KRWDZBQOSA-N 1 2 443.556 0.819 20 0 ICADLO CNc1cc(N2CCC[C@H]2Cn2c(C)nnc2N2CCC(NC(=O)COC)CC2)nc[nH+]1 ZINC001503830221 1070810284 /nfs/dbraw/zinc/81/02/84/1070810284.db2.gz JWIZUMJSIOCYIK-KRWDZBQOSA-N 1 2 443.556 0.819 20 0 ICADLO CNc1cc(N2CCC[C@@H]2Cn2c(C)nnc2N2CCC(NC(=O)COC)CC2)[nH+]cn1 ZINC001503830225 1070809926 /nfs/dbraw/zinc/80/99/26/1070809926.db2.gz JWIZUMJSIOCYIK-QGZVFWFLSA-N 1 2 443.556 0.819 20 0 ICADLO CNc1cc(N2CCC[C@@H]2Cn2c(C)nnc2N2CCC(NC(=O)COC)CC2)nc[nH+]1 ZINC001503830225 1070809899 /nfs/dbraw/zinc/80/98/99/1070809899.db2.gz JWIZUMJSIOCYIK-QGZVFWFLSA-N 1 2 443.556 0.819 20 0 ICADLO CNS(=O)(=O)CCn1c(C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001503832648 1070812382 /nfs/dbraw/zinc/81/23/82/1070812382.db2.gz DFNFYKIEJRCURB-HNNXBMFYSA-N 1 2 428.584 0.707 20 0 ICADLO CNS(=O)(=O)CCn1c(C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001503832649 1070812707 /nfs/dbraw/zinc/81/27/07/1070812707.db2.gz DFNFYKIEJRCURB-OAHLLOKOSA-N 1 2 428.584 0.707 20 0 ICADLO CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503833008 1070813044 /nfs/dbraw/zinc/81/30/44/1070813044.db2.gz BACLLQDVYFZQJJ-UHFFFAOYSA-N 1 2 442.973 0.916 20 0 ICADLO CNS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503833624 1070814407 /nfs/dbraw/zinc/81/44/07/1070814407.db2.gz PEZXHUNLHBOUGE-UHFFFAOYSA-N 1 2 443.961 0.311 20 0 ICADLO CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503834205 1070815797 /nfs/dbraw/zinc/81/57/97/1070815797.db2.gz ZFHZYMLEKQEAKN-INIZCTEOSA-N 1 2 441.602 0.084 20 0 ICADLO CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503834209 1070815492 /nfs/dbraw/zinc/81/54/92/1070815492.db2.gz ZFHZYMLEKQEAKN-MRXNPFEDSA-N 1 2 441.602 0.084 20 0 ICADLO CNS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001503839210 1070827198 /nfs/dbraw/zinc/82/71/98/1070827198.db2.gz CQOQRZUAXWWKFR-UHFFFAOYSA-N 1 2 440.545 0.326 20 0 ICADLO CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503840699 1070828790 /nfs/dbraw/zinc/82/87/90/1070828790.db2.gz LYSIZOZHYBDNPH-UHFFFAOYSA-N 1 2 442.549 0.535 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001503853358 1070835787 /nfs/dbraw/zinc/83/57/87/1070835787.db2.gz HWGMQLNKLLULRX-DLBZAZTESA-N 1 2 436.557 0.772 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001503853359 1070835469 /nfs/dbraw/zinc/83/54/69/1070835469.db2.gz HWGMQLNKLLULRX-IAGOWNOFSA-N 1 2 436.557 0.772 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001503853360 1070835690 /nfs/dbraw/zinc/83/56/90/1070835690.db2.gz HWGMQLNKLLULRX-IRXDYDNUSA-N 1 2 436.557 0.772 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001503853361 1070835392 /nfs/dbraw/zinc/83/53/92/1070835392.db2.gz HWGMQLNKLLULRX-SJORKVTESA-N 1 2 436.557 0.772 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001503869023 1070838993 /nfs/dbraw/zinc/83/89/93/1070838993.db2.gz DOBKOBPZYNAXRB-IBGZPJMESA-N 1 2 441.536 0.427 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001503869027 1070839196 /nfs/dbraw/zinc/83/91/96/1070839196.db2.gz DOBKOBPZYNAXRB-LJQANCHMSA-N 1 2 441.536 0.427 20 0 ICADLO COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001503897286 1070849264 /nfs/dbraw/zinc/84/92/64/1070849264.db2.gz VKKIZDCVEBMHJK-KRWDZBQOSA-N 1 2 429.525 0.873 20 0 ICADLO COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001503897289 1070849723 /nfs/dbraw/zinc/84/97/23/1070849723.db2.gz VKKIZDCVEBMHJK-QGZVFWFLSA-N 1 2 429.525 0.873 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001503901915 1070850818 /nfs/dbraw/zinc/85/08/18/1070850818.db2.gz WFUUHIFDUNEEIB-FUHWJXTLSA-N 1 2 449.556 0.571 20 0 ICADLO COC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001503904060 1070852215 /nfs/dbraw/zinc/85/22/15/1070852215.db2.gz KTVWBFJJQVIQKB-UHFFFAOYSA-N 1 2 437.545 0.416 20 0 ICADLO COC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001503904060 1070852189 /nfs/dbraw/zinc/85/21/89/1070852189.db2.gz KTVWBFJJQVIQKB-UHFFFAOYSA-N 1 2 437.545 0.416 20 0 ICADLO COC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001503908313 1070853082 /nfs/dbraw/zinc/85/30/82/1070853082.db2.gz RPWUZZSOTNXQHV-UHFFFAOYSA-N 1 2 428.541 0.905 20 0 ICADLO COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001503913124 1070853243 /nfs/dbraw/zinc/85/32/43/1070853243.db2.gz MRWVWWHEYXRCOF-IRXDYDNUSA-N 1 2 449.556 0.398 20 0 ICADLO COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001503913127 1070854396 /nfs/dbraw/zinc/85/43/96/1070854396.db2.gz MRWVWWHEYXRCOF-SJORKVTESA-N 1 2 449.556 0.398 20 0 ICADLO CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503924162 1070855571 /nfs/dbraw/zinc/85/55/71/1070855571.db2.gz AVXGBADAWABVLJ-MSOLQXFVSA-N 1 2 447.584 0.682 20 0 ICADLO CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503924163 1070856061 /nfs/dbraw/zinc/85/60/61/1070856061.db2.gz AVXGBADAWABVLJ-QZTJIDSGSA-N 1 2 447.584 0.682 20 0 ICADLO CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503924164 1070855925 /nfs/dbraw/zinc/85/59/25/1070855925.db2.gz AVXGBADAWABVLJ-ROUUACIJSA-N 1 2 447.584 0.682 20 0 ICADLO CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503924165 1070855703 /nfs/dbraw/zinc/85/57/03/1070855703.db2.gz AVXGBADAWABVLJ-ZWKOTPCHSA-N 1 2 447.584 0.682 20 0 ICADLO CO[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503931670 1070857813 /nfs/dbraw/zinc/85/78/13/1070857813.db2.gz RXPLTTVRSQDJTF-KBPBESRZSA-N 1 2 437.570 0.947 20 0 ICADLO CO[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503931673 1070858075 /nfs/dbraw/zinc/85/80/75/1070858075.db2.gz RXPLTTVRSQDJTF-KGLIPLIRSA-N 1 2 437.570 0.947 20 0 ICADLO CO[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503931676 1070858217 /nfs/dbraw/zinc/85/82/17/1070858217.db2.gz RXPLTTVRSQDJTF-UONOGXRCSA-N 1 2 437.570 0.947 20 0 ICADLO CO[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001503931679 1070858019 /nfs/dbraw/zinc/85/80/19/1070858019.db2.gz RXPLTTVRSQDJTF-ZIAGYGMSSA-N 1 2 437.570 0.947 20 0 ICADLO CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503944630 1070860016 /nfs/dbraw/zinc/86/00/16/1070860016.db2.gz QLIHKWABAWFWNQ-MSOLQXFVSA-N 1 2 447.584 0.568 20 0 ICADLO CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503944631 1070859671 /nfs/dbraw/zinc/85/96/71/1070859671.db2.gz QLIHKWABAWFWNQ-QZTJIDSGSA-N 1 2 447.584 0.568 20 0 ICADLO CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001503944632 1070859792 /nfs/dbraw/zinc/85/97/92/1070859792.db2.gz QLIHKWABAWFWNQ-ROUUACIJSA-N 1 2 447.584 0.568 20 0 ICADLO CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001503944633 1070860236 /nfs/dbraw/zinc/86/02/36/1070860236.db2.gz QLIHKWABAWFWNQ-ZWKOTPCHSA-N 1 2 447.584 0.568 20 0 ICADLO COC1(C)CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001504031305 1070868044 /nfs/dbraw/zinc/86/80/44/1070868044.db2.gz MAFPLZKOAUBUCW-UHFFFAOYSA-N 1 2 429.525 0.921 20 0 ICADLO COC1(C)CN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504041768 1070870998 /nfs/dbraw/zinc/87/09/98/1070870998.db2.gz LZWUJJQJGLGORU-UHFFFAOYSA-N 1 2 430.557 0.529 20 0 ICADLO COc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC(=O)N(C)C)c(OC)c1 ZINC001504167791 1070877995 /nfs/dbraw/zinc/87/79/95/1070877995.db2.gz FEMHTPLSNNVXKC-UHFFFAOYSA-N 1 2 432.525 0.819 20 0 ICADLO COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)c(OC)n1 ZINC001504271177 1070886852 /nfs/dbraw/zinc/88/68/52/1070886852.db2.gz UGAOMPIHFCXOGN-INIZCTEOSA-N 1 2 445.524 0.458 20 0 ICADLO COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)c(OC)n1 ZINC001504271179 1070886596 /nfs/dbraw/zinc/88/65/96/1070886596.db2.gz UGAOMPIHFCXOGN-MRXNPFEDSA-N 1 2 445.524 0.458 20 0 ICADLO COc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001504310816 1070890807 /nfs/dbraw/zinc/89/08/07/1070890807.db2.gz APDGMZXGBNDUPE-KRWDZBQOSA-N 1 2 444.536 0.865 20 0 ICADLO COc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001504310818 1070890899 /nfs/dbraw/zinc/89/08/99/1070890899.db2.gz APDGMZXGBNDUPE-QGZVFWFLSA-N 1 2 444.536 0.865 20 0 ICADLO COc1ccccc1Cc1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cnnn1C ZINC001504397820 1070896577 /nfs/dbraw/zinc/89/65/77/1070896577.db2.gz BGCANZKZZQMIBA-UHFFFAOYSA-N 1 2 426.525 0.823 20 0 ICADLO COc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504438382 1070898622 /nfs/dbraw/zinc/89/86/22/1070898622.db2.gz NNRXOUHMCJSYAO-KRWDZBQOSA-N 1 2 444.536 0.865 20 0 ICADLO COc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504438382 1070898586 /nfs/dbraw/zinc/89/85/86/1070898586.db2.gz NNRXOUHMCJSYAO-KRWDZBQOSA-N 1 2 444.536 0.865 20 0 ICADLO COc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504438383 1070899057 /nfs/dbraw/zinc/89/90/57/1070899057.db2.gz NNRXOUHMCJSYAO-QGZVFWFLSA-N 1 2 444.536 0.865 20 0 ICADLO COc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504438383 1070899028 /nfs/dbraw/zinc/89/90/28/1070899028.db2.gz NNRXOUHMCJSYAO-QGZVFWFLSA-N 1 2 444.536 0.865 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001504452408 1070900168 /nfs/dbraw/zinc/90/01/68/1070900168.db2.gz AXDYPHXJBFHGOH-UHFFFAOYSA-N 1 2 427.509 0.781 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001504452968 1070900122 /nfs/dbraw/zinc/90/01/22/1070900122.db2.gz GCFJYPCKSXUDHQ-UHFFFAOYSA-N 1 2 443.508 0.437 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001504452970 1070900200 /nfs/dbraw/zinc/90/02/00/1070900200.db2.gz GCSVGOGKEVUYDQ-AUUYWEPGSA-N 1 2 436.538 0.957 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001504452974 1070900178 /nfs/dbraw/zinc/90/01/78/1070900178.db2.gz GCSVGOGKEVUYDQ-IFXJQAMLSA-N 1 2 436.538 0.957 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 ZINC001504452978 1070900053 /nfs/dbraw/zinc/90/00/53/1070900053.db2.gz GCSVGOGKEVUYDQ-KUHUBIRLSA-N 1 2 436.538 0.957 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 ZINC001504452982 1070900072 /nfs/dbraw/zinc/90/00/72/1070900072.db2.gz GCSVGOGKEVUYDQ-LIRRHRJNSA-N 1 2 436.538 0.957 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001504454839 1070900740 /nfs/dbraw/zinc/90/07/40/1070900740.db2.gz ULXRSVKEBQHURP-FQEVSTJZSA-N 1 2 429.481 0.899 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001504454841 1070900574 /nfs/dbraw/zinc/90/05/74/1070900574.db2.gz ULXRSVKEBQHURP-HXUWFJFHSA-N 1 2 429.481 0.899 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001504454877 1070900659 /nfs/dbraw/zinc/90/06/59/1070900659.db2.gz VEGQJPLFFPKFPX-CHWSQXEVSA-N 1 2 437.526 0.007 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001504454882 1070900678 /nfs/dbraw/zinc/90/06/78/1070900678.db2.gz VEGQJPLFFPKFPX-OLZOCXBDSA-N 1 2 437.526 0.007 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001504454883 1070900619 /nfs/dbraw/zinc/90/06/19/1070900619.db2.gz VEGQJPLFFPKFPX-QWHCGFSZSA-N 1 2 437.526 0.007 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001504454884 1070900561 /nfs/dbraw/zinc/90/05/61/1070900561.db2.gz VEGQJPLFFPKFPX-STQMWFEESA-N 1 2 437.526 0.007 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1 ZINC001504454923 1070900710 /nfs/dbraw/zinc/90/07/10/1070900710.db2.gz VTJJQXJCIKWBPN-UHFFFAOYSA-N 1 2 443.489 0.612 20 0 ICADLO COc1cc[nH+]cc1Cn1c(Cc2ccccn2)nnc1N(C)CCNS(C)(=O)=O ZINC001504455587 1070900753 /nfs/dbraw/zinc/90/07/53/1070900753.db2.gz DTUWEFBIUUJVGU-UHFFFAOYSA-N 1 2 431.522 0.701 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001504456598 1070900638 /nfs/dbraw/zinc/90/06/38/1070900638.db2.gz DPSIOOWCVXLNTF-HNNXBMFYSA-N 1 2 449.537 0.199 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001504456609 1070900762 /nfs/dbraw/zinc/90/07/62/1070900762.db2.gz DPSIOOWCVXLNTF-OAHLLOKOSA-N 1 2 449.537 0.199 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 ZINC001504459041 1070901217 /nfs/dbraw/zinc/90/12/17/1070901217.db2.gz IANQAGAVXKDKRI-KRWDZBQOSA-N 1 2 436.538 0.909 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 ZINC001504459042 1070901247 /nfs/dbraw/zinc/90/12/47/1070901247.db2.gz IANQAGAVXKDKRI-QGZVFWFLSA-N 1 2 436.538 0.909 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001504459058 1070901236 /nfs/dbraw/zinc/90/12/36/1070901236.db2.gz IPWLYUCLESOWCN-KBPBESRZSA-N 1 2 434.522 0.299 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001504459059 1070901152 /nfs/dbraw/zinc/90/11/52/1070901152.db2.gz IPWLYUCLESOWCN-KGLIPLIRSA-N 1 2 434.522 0.299 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001504459060 1070901223 /nfs/dbraw/zinc/90/12/23/1070901223.db2.gz IPWLYUCLESOWCN-UONOGXRCSA-N 1 2 434.522 0.299 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001504459061 1070901728 /nfs/dbraw/zinc/90/17/28/1070901728.db2.gz IPWLYUCLESOWCN-ZIAGYGMSSA-N 1 2 434.522 0.299 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C ZINC001504459226 1070901625 /nfs/dbraw/zinc/90/16/25/1070901625.db2.gz MZCBVLJDTWBMSO-AWEZNQCLSA-N 1 2 436.538 0.593 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C ZINC001504459227 1070901720 /nfs/dbraw/zinc/90/17/20/1070901720.db2.gz MZCBVLJDTWBMSO-CQSZACIVSA-N 1 2 436.538 0.593 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001504459447 1070901697 /nfs/dbraw/zinc/90/16/97/1070901697.db2.gz PIGSDIIWFWHDSW-DOTOQJQBSA-N 1 2 448.549 0.737 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001504459450 1070901617 /nfs/dbraw/zinc/90/16/17/1070901617.db2.gz PIGSDIIWFWHDSW-NVXWUHKLSA-N 1 2 448.549 0.737 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001504459452 1070901781 /nfs/dbraw/zinc/90/17/81/1070901781.db2.gz PIGSDIIWFWHDSW-RDJZCZTQSA-N 1 2 448.549 0.737 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001504459455 1070901751 /nfs/dbraw/zinc/90/17/51/1070901751.db2.gz PIGSDIIWFWHDSW-WBVHZDCISA-N 1 2 448.549 0.737 20 0 ICADLO CO[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001504479564 1070903751 /nfs/dbraw/zinc/90/37/51/1070903751.db2.gz QLYKVZATTAJHTR-CVEARBPZSA-N 1 2 442.586 0.368 20 0 ICADLO CO[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001504479567 1070903811 /nfs/dbraw/zinc/90/38/11/1070903811.db2.gz QLYKVZATTAJHTR-HOTGVXAUSA-N 1 2 442.586 0.368 20 0 ICADLO CO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001504479570 1070903783 /nfs/dbraw/zinc/90/37/83/1070903783.db2.gz QLYKVZATTAJHTR-HZPDHXFCSA-N 1 2 442.586 0.368 20 0 ICADLO CO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001504479573 1070903870 /nfs/dbraw/zinc/90/38/70/1070903870.db2.gz QLYKVZATTAJHTR-JKSUJKDBSA-N 1 2 442.586 0.368 20 0 ICADLO CO[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1(C)C ZINC001504520647 1070908648 /nfs/dbraw/zinc/90/86/48/1070908648.db2.gz KZJUHQHSBVUXNB-GOSISDBHSA-N 1 2 447.584 0.426 20 0 ICADLO CO[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1(C)C ZINC001504520648 1070908530 /nfs/dbraw/zinc/90/85/30/1070908530.db2.gz KZJUHQHSBVUXNB-SFHVURJKSA-N 1 2 447.584 0.426 20 0 ICADLO COCC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2c[nH+]ccc2OC)CC1 ZINC001504534913 1070912332 /nfs/dbraw/zinc/91/23/32/1070912332.db2.gz QDTCTNWNVMBTKM-UHFFFAOYSA-N 1 2 443.508 0.147 20 0 ICADLO COCC(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001504540854 1070914504 /nfs/dbraw/zinc/91/45/04/1070914504.db2.gz VAFJYBLGWQTKGY-UHFFFAOYSA-N 1 2 440.508 0.862 20 0 ICADLO COC[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001504566657 1070917110 /nfs/dbraw/zinc/91/71/10/1070917110.db2.gz LTXVEZDNBZKSBA-DLBZAZTESA-N 1 2 441.598 0.764 20 0 ICADLO COC[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001504566659 1070917158 /nfs/dbraw/zinc/91/71/58/1070917158.db2.gz LTXVEZDNBZKSBA-IAGOWNOFSA-N 1 2 441.598 0.764 20 0 ICADLO COC[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001504566661 1070917179 /nfs/dbraw/zinc/91/71/79/1070917179.db2.gz LTXVEZDNBZKSBA-IRXDYDNUSA-N 1 2 441.598 0.764 20 0 ICADLO COC[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001504566663 1070917038 /nfs/dbraw/zinc/91/70/38/1070917038.db2.gz LTXVEZDNBZKSBA-SJORKVTESA-N 1 2 441.598 0.764 20 0 ICADLO COC[C@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001504590994 1070920373 /nfs/dbraw/zinc/92/03/73/1070920373.db2.gz RSZLQQOSTGEIDL-KRWDZBQOSA-N 1 2 444.540 0.141 20 0 ICADLO COC[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001504590995 1070920466 /nfs/dbraw/zinc/92/04/66/1070920466.db2.gz RSZLQQOSTGEIDL-QGZVFWFLSA-N 1 2 444.540 0.141 20 0 ICADLO COC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001504676089 1070926613 /nfs/dbraw/zinc/92/66/13/1070926613.db2.gz XFTZYOSRTQJSOL-BRWVUGGUSA-N 1 2 444.602 0.472 20 0 ICADLO COC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001504676089 1070926607 /nfs/dbraw/zinc/92/66/07/1070926607.db2.gz XFTZYOSRTQJSOL-BRWVUGGUSA-N 1 2 444.602 0.472 20 0 ICADLO COC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001504676091 1070926525 /nfs/dbraw/zinc/92/65/25/1070926525.db2.gz XFTZYOSRTQJSOL-GVDBMIGSSA-N 1 2 444.602 0.472 20 0 ICADLO COC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001504676091 1070926518 /nfs/dbraw/zinc/92/65/18/1070926518.db2.gz XFTZYOSRTQJSOL-GVDBMIGSSA-N 1 2 444.602 0.472 20 0 ICADLO COC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001504676093 1070926545 /nfs/dbraw/zinc/92/65/45/1070926545.db2.gz XFTZYOSRTQJSOL-IXDOHACOSA-N 1 2 444.602 0.472 20 0 ICADLO COC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001504676093 1070926543 /nfs/dbraw/zinc/92/65/43/1070926543.db2.gz XFTZYOSRTQJSOL-IXDOHACOSA-N 1 2 444.602 0.472 20 0 ICADLO COC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001504676095 1070926424 /nfs/dbraw/zinc/92/64/24/1070926424.db2.gz XFTZYOSRTQJSOL-YESZJQIVSA-N 1 2 444.602 0.472 20 0 ICADLO COC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001504676095 1070926422 /nfs/dbraw/zinc/92/64/22/1070926422.db2.gz XFTZYOSRTQJSOL-YESZJQIVSA-N 1 2 444.602 0.472 20 0 ICADLO COC[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001504688849 1070927649 /nfs/dbraw/zinc/92/76/49/1070927649.db2.gz LGXBTFVQRSQXDR-CVEARBPZSA-N 1 2 442.586 0.226 20 0 ICADLO COC[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001504688850 1070927633 /nfs/dbraw/zinc/92/76/33/1070927633.db2.gz LGXBTFVQRSQXDR-HOTGVXAUSA-N 1 2 442.586 0.226 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001517548737 1070788543 /nfs/dbraw/zinc/78/85/43/1070788543.db2.gz JYEPAAUXUKSSBI-QGTPRVQTSA-N 1 2 446.508 0.405 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001517548745 1070788802 /nfs/dbraw/zinc/78/88/02/1070788802.db2.gz JYEPAAUXUKSSBI-WBAXXEDZSA-N 1 2 446.508 0.405 20 0 ICADLO CNC(=O)CC1CCN(c2nnc(CC(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001517555133 1070793198 /nfs/dbraw/zinc/79/31/98/1070793198.db2.gz IRXHBAMLXYAQFX-UHFFFAOYSA-N 1 2 433.601 0.993 20 0 ICADLO CNC(=O)CC1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001517560721 1070794614 /nfs/dbraw/zinc/79/46/14/1070794614.db2.gz ZAJKVNKVCDQBGS-KRWDZBQOSA-N 1 2 447.584 0.474 20 0 ICADLO CNC(=O)CC1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001517560721 1070794586 /nfs/dbraw/zinc/79/45/86/1070794586.db2.gz ZAJKVNKVCDQBGS-KRWDZBQOSA-N 1 2 447.584 0.474 20 0 ICADLO CNC(=O)CC1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001517560723 1070795013 /nfs/dbraw/zinc/79/50/13/1070795013.db2.gz ZAJKVNKVCDQBGS-QGZVFWFLSA-N 1 2 447.584 0.474 20 0 ICADLO CNC(=O)CC1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001517560723 1070794997 /nfs/dbraw/zinc/79/49/97/1070794997.db2.gz ZAJKVNKVCDQBGS-QGZVFWFLSA-N 1 2 447.584 0.474 20 0 ICADLO CNC(=O)CCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001517566263 1070795564 /nfs/dbraw/zinc/79/55/64/1070795564.db2.gz OHFMENVYWDLACK-INIZCTEOSA-N 1 2 449.581 0.652 20 0 ICADLO CNC(=O)CCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001517566265 1070795846 /nfs/dbraw/zinc/79/58/46/1070795846.db2.gz OHFMENVYWDLACK-MRXNPFEDSA-N 1 2 449.581 0.652 20 0 ICADLO CNC(=O)CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001517575501 1070799006 /nfs/dbraw/zinc/79/90/06/1070799006.db2.gz OOXUWOVTYCOEJZ-UHFFFAOYSA-N 1 2 439.524 0.531 20 0 ICADLO CNC(=O)CCN(C)c1nnc(Cc2ccccn2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001517579745 1070800655 /nfs/dbraw/zinc/80/06/55/1070800655.db2.gz UFAGUKVCZPWIRL-UHFFFAOYSA-N 1 2 428.541 0.000 20 0 ICADLO CNC(=O)CCN(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CCOC[C@@H]1C ZINC001517580459 1070800734 /nfs/dbraw/zinc/80/07/34/1070800734.db2.gz ZJVZCHHLXFGQOP-AWEZNQCLSA-N 1 2 433.513 0.299 20 0 ICADLO CNC(=O)CCN(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001517580459 1070800703 /nfs/dbraw/zinc/80/07/03/1070800703.db2.gz ZJVZCHHLXFGQOP-AWEZNQCLSA-N 1 2 433.513 0.299 20 0 ICADLO CNC(=O)CCN(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CCOC[C@H]1C ZINC001517580474 1070800427 /nfs/dbraw/zinc/80/04/27/1070800427.db2.gz ZJVZCHHLXFGQOP-CQSZACIVSA-N 1 2 433.513 0.299 20 0 ICADLO CNC(=O)CCN(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CCOC[C@H]1C ZINC001517580474 1070800400 /nfs/dbraw/zinc/80/04/00/1070800400.db2.gz ZJVZCHHLXFGQOP-CQSZACIVSA-N 1 2 433.513 0.299 20 0 ICADLO CNC(=O)CCn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001517589797 1070806298 /nfs/dbraw/zinc/80/62/98/1070806298.db2.gz GDLIYKYKWQZZPV-INIZCTEOSA-N 1 2 425.537 0.870 20 0 ICADLO CNC(=O)CCn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001517589799 1070806044 /nfs/dbraw/zinc/80/60/44/1070806044.db2.gz GDLIYKYKWQZZPV-MRXNPFEDSA-N 1 2 425.537 0.870 20 0 ICADLO CNC(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001517592181 1070807150 /nfs/dbraw/zinc/80/71/50/1070807150.db2.gz BVVQDNGWTAKSLE-UHFFFAOYSA-N 1 2 427.538 0.958 20 0 ICADLO CNC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001517593157 1070807237 /nfs/dbraw/zinc/80/72/37/1070807237.db2.gz XVZBFGWBTBAZHM-UHFFFAOYSA-N 1 2 432.525 0.867 20 0 ICADLO CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001517595128 1070808670 /nfs/dbraw/zinc/80/86/70/1070808670.db2.gz RKLSZZGPNCYJQW-KRWDZBQOSA-N 1 2 442.568 0.932 20 0 ICADLO CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001517595131 1070808614 /nfs/dbraw/zinc/80/86/14/1070808614.db2.gz RKLSZZGPNCYJQW-QGZVFWFLSA-N 1 2 442.568 0.932 20 0 ICADLO CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001517601211 1070814327 /nfs/dbraw/zinc/81/43/27/1070814327.db2.gz TWVKDTMMPKAJKR-UHFFFAOYSA-N 1 2 441.540 0.894 20 0 ICADLO CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cn3ccccc3[nH+]2)CC1 ZINC001517602907 1070815117 /nfs/dbraw/zinc/81/51/17/1070815117.db2.gz BTHHQKIMTPWMEE-UHFFFAOYSA-N 1 2 439.524 0.768 20 0 ICADLO CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001517602969 1070815344 /nfs/dbraw/zinc/81/53/44/1070815344.db2.gz CNGBJJVLOWBUJR-UHFFFAOYSA-N 1 2 429.529 0.387 20 0 ICADLO CNC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001517614879 1070824619 /nfs/dbraw/zinc/82/46/19/1070824619.db2.gz HTRRJLYTZBUOBC-GOSISDBHSA-N 1 2 445.572 0.322 20 0 ICADLO CNC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001517614879 1070824590 /nfs/dbraw/zinc/82/45/90/1070824590.db2.gz HTRRJLYTZBUOBC-GOSISDBHSA-N 1 2 445.572 0.322 20 0 ICADLO CNC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001517614892 1070825258 /nfs/dbraw/zinc/82/52/58/1070825258.db2.gz HTRRJLYTZBUOBC-SFHVURJKSA-N 1 2 445.572 0.322 20 0 ICADLO CNC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001517614892 1070825237 /nfs/dbraw/zinc/82/52/37/1070825237.db2.gz HTRRJLYTZBUOBC-SFHVURJKSA-N 1 2 445.572 0.322 20 0 ICADLO CNc1cc(N2CCC[C@H]2Cn2c(C(=O)NC(C)C)nnc2N2CCOCC2)[nH+]cn1 ZINC001517615701 1070826084 /nfs/dbraw/zinc/82/60/84/1070826084.db2.gz VSRVYCZVBZDJAX-HNNXBMFYSA-N 1 2 429.529 0.754 20 0 ICADLO CNc1cc(N2CCC[C@H]2Cn2c(C(=O)NC(C)C)nnc2N2CCOCC2)nc[nH+]1 ZINC001517615701 1070826054 /nfs/dbraw/zinc/82/60/54/1070826054.db2.gz VSRVYCZVBZDJAX-HNNXBMFYSA-N 1 2 429.529 0.754 20 0 ICADLO CNc1cc(N2CCC[C@@H]2Cn2c(C(=O)NC(C)C)nnc2N2CCOCC2)[nH+]cn1 ZINC001517615702 1070825745 /nfs/dbraw/zinc/82/57/45/1070825745.db2.gz VSRVYCZVBZDJAX-OAHLLOKOSA-N 1 2 429.529 0.754 20 0 ICADLO CNc1cc(N2CCC[C@@H]2Cn2c(C(=O)NC(C)C)nnc2N2CCOCC2)nc[nH+]1 ZINC001517615702 1070825731 /nfs/dbraw/zinc/82/57/31/1070825731.db2.gz VSRVYCZVBZDJAX-OAHLLOKOSA-N 1 2 429.529 0.754 20 0 ICADLO CNC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001517617004 1070826916 /nfs/dbraw/zinc/82/69/16/1070826916.db2.gz TUVWGNRCKYRBSS-GOSISDBHSA-N 1 2 448.572 0.145 20 0 ICADLO CNC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001517617007 1070827043 /nfs/dbraw/zinc/82/70/43/1070827043.db2.gz TUVWGNRCKYRBSS-SFHVURJKSA-N 1 2 448.572 0.145 20 0 ICADLO CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001517624569 1070833359 /nfs/dbraw/zinc/83/33/59/1070833359.db2.gz DDYFQFCAWBTJDF-UHFFFAOYSA-N 1 2 430.538 0.554 20 0 ICADLO CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001517624640 1070834238 /nfs/dbraw/zinc/83/42/38/1070834238.db2.gz DZHOTBFAMCMFSJ-UHFFFAOYSA-N 1 2 438.554 0.271 20 0 ICADLO CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001517629266 1070840012 /nfs/dbraw/zinc/84/00/12/1070840012.db2.gz WUCHFSVYIGOFPN-UHFFFAOYSA-N 1 2 443.537 0.314 20 0 ICADLO CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001517633506 1070846767 /nfs/dbraw/zinc/84/67/67/1070846767.db2.gz QYWNWHGFRBJPDM-OAHLLOKOSA-N 1 2 436.542 0.104 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001517652058 1070851482 /nfs/dbraw/zinc/85/14/82/1070851482.db2.gz BOWURJSLYGSBMW-MSOLQXFVSA-N 1 2 448.568 0.870 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001517652062 1070851000 /nfs/dbraw/zinc/85/10/00/1070851000.db2.gz BOWURJSLYGSBMW-QZTJIDSGSA-N 1 2 448.568 0.870 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001517652065 1070850912 /nfs/dbraw/zinc/85/09/12/1070850912.db2.gz BOWURJSLYGSBMW-ROUUACIJSA-N 1 2 448.568 0.870 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001517652069 1070851302 /nfs/dbraw/zinc/85/13/02/1070851302.db2.gz BOWURJSLYGSBMW-ZWKOTPCHSA-N 1 2 448.568 0.870 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c[nH+]ccc2OC)C1 ZINC001517654541 1070852829 /nfs/dbraw/zinc/85/28/29/1070852829.db2.gz LHSRPUWCMYSHMW-CHWSQXEVSA-N 1 2 438.510 0.340 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c[nH+]ccc2OC)C1 ZINC001517654546 1070852995 /nfs/dbraw/zinc/85/29/95/1070852995.db2.gz LHSRPUWCMYSHMW-OLZOCXBDSA-N 1 2 438.510 0.340 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c[nH+]ccc2OC)C1 ZINC001517654547 1070852465 /nfs/dbraw/zinc/85/24/65/1070852465.db2.gz LHSRPUWCMYSHMW-QWHCGFSZSA-N 1 2 438.510 0.340 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c[nH+]ccc2OC)C1 ZINC001517654548 1070852656 /nfs/dbraw/zinc/85/26/56/1070852656.db2.gz LHSRPUWCMYSHMW-STQMWFEESA-N 1 2 438.510 0.340 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001517655017 1070853175 /nfs/dbraw/zinc/85/31/75/1070853175.db2.gz OKRPBJUGNHKDSK-INIZCTEOSA-N 1 2 434.541 0.624 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001517655018 1070853754 /nfs/dbraw/zinc/85/37/54/1070853754.db2.gz OKRPBJUGNHKDSK-MRXNPFEDSA-N 1 2 434.541 0.624 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c[nH+]ccc2OC)C1 ZINC001517679336 1070859216 /nfs/dbraw/zinc/85/92/16/1070859216.db2.gz XGUIQLGXUFPBQJ-KBPBESRZSA-N 1 2 435.506 0.631 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c[nH+]ccc2OC)C1 ZINC001517679342 1070858983 /nfs/dbraw/zinc/85/89/83/1070858983.db2.gz XGUIQLGXUFPBQJ-KGLIPLIRSA-N 1 2 435.506 0.631 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c[nH+]ccc2OC)C1 ZINC001517679345 1070858841 /nfs/dbraw/zinc/85/88/41/1070858841.db2.gz XGUIQLGXUFPBQJ-UONOGXRCSA-N 1 2 435.506 0.631 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c[nH+]ccc2OC)C1 ZINC001517679350 1070858663 /nfs/dbraw/zinc/85/86/63/1070858663.db2.gz XGUIQLGXUFPBQJ-ZIAGYGMSSA-N 1 2 435.506 0.631 20 0 ICADLO COC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001517686562 1070861555 /nfs/dbraw/zinc/86/15/55/1070861555.db2.gz WHFOXUBSUJMYKP-INIZCTEOSA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001517686562 1070861530 /nfs/dbraw/zinc/86/15/30/1070861530.db2.gz WHFOXUBSUJMYKP-INIZCTEOSA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001517686564 1070861317 /nfs/dbraw/zinc/86/13/17/1070861317.db2.gz WHFOXUBSUJMYKP-MRXNPFEDSA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001517686564 1070861295 /nfs/dbraw/zinc/86/12/95/1070861295.db2.gz WHFOXUBSUJMYKP-MRXNPFEDSA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001517713821 1070870467 /nfs/dbraw/zinc/87/04/67/1070870467.db2.gz GPAMEODXNUCZGP-FUHWJXTLSA-N 1 2 449.556 0.223 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001517713823 1070870913 /nfs/dbraw/zinc/87/09/13/1070870913.db2.gz GPAMEODXNUCZGP-WMZOPIPTSA-N 1 2 449.556 0.223 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001517717856 1070872868 /nfs/dbraw/zinc/87/28/68/1070872868.db2.gz SVPDTTMJBQBSCR-INIZCTEOSA-N 1 2 438.554 0.331 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001517717856 1070872842 /nfs/dbraw/zinc/87/28/42/1070872842.db2.gz SVPDTTMJBQBSCR-INIZCTEOSA-N 1 2 438.554 0.331 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001517717857 1070873075 /nfs/dbraw/zinc/87/30/75/1070873075.db2.gz SVPDTTMJBQBSCR-MRXNPFEDSA-N 1 2 438.554 0.331 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001517717857 1070873065 /nfs/dbraw/zinc/87/30/65/1070873065.db2.gz SVPDTTMJBQBSCR-MRXNPFEDSA-N 1 2 438.554 0.331 20 0 ICADLO COC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001517719689 1070874587 /nfs/dbraw/zinc/87/45/87/1070874587.db2.gz OKTGKGNKUAIYKW-KRWDZBQOSA-N 1 2 429.525 0.873 20 0 ICADLO COC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001517719696 1070874246 /nfs/dbraw/zinc/87/42/46/1070874246.db2.gz OKTGKGNKUAIYKW-QGZVFWFLSA-N 1 2 429.525 0.873 20 0 ICADLO COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001517721387 1070874991 /nfs/dbraw/zinc/87/49/91/1070874991.db2.gz SJXQIIQNRYJUDM-DLBZAZTESA-N 1 2 449.556 0.398 20 0 ICADLO COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001517721387 1070874965 /nfs/dbraw/zinc/87/49/65/1070874965.db2.gz SJXQIIQNRYJUDM-DLBZAZTESA-N 1 2 449.556 0.398 20 0 ICADLO COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001517721389 1070875169 /nfs/dbraw/zinc/87/51/69/1070875169.db2.gz SJXQIIQNRYJUDM-IRXDYDNUSA-N 1 2 449.556 0.398 20 0 ICADLO COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001517721389 1070875150 /nfs/dbraw/zinc/87/51/50/1070875150.db2.gz SJXQIIQNRYJUDM-IRXDYDNUSA-N 1 2 449.556 0.398 20 0 ICADLO CO[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001517750373 1070877653 /nfs/dbraw/zinc/87/76/53/1070877653.db2.gz ICGWUZYJZBKKPK-DLBZAZTESA-N 1 2 435.573 0.584 20 0 ICADLO CO[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001517750374 1070877591 /nfs/dbraw/zinc/87/75/91/1070877591.db2.gz ICGWUZYJZBKKPK-IAGOWNOFSA-N 1 2 435.573 0.584 20 0 ICADLO CO[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001517750375 1070878017 /nfs/dbraw/zinc/87/80/17/1070878017.db2.gz ICGWUZYJZBKKPK-IRXDYDNUSA-N 1 2 435.573 0.584 20 0 ICADLO CO[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001517750376 1070877865 /nfs/dbraw/zinc/87/78/65/1070877865.db2.gz ICGWUZYJZBKKPK-SJORKVTESA-N 1 2 435.573 0.584 20 0 ICADLO CO[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001517766091 1070879335 /nfs/dbraw/zinc/87/93/35/1070879335.db2.gz DXULLSOEESBXIQ-CVEARBPZSA-N 1 2 427.571 0.516 20 0 ICADLO CO[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001517766119 1070880361 /nfs/dbraw/zinc/88/03/61/1070880361.db2.gz DXULLSOEESBXIQ-HOTGVXAUSA-N 1 2 427.571 0.516 20 0 ICADLO CO[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001517766120 1070880189 /nfs/dbraw/zinc/88/01/89/1070880189.db2.gz DXULLSOEESBXIQ-HZPDHXFCSA-N 1 2 427.571 0.516 20 0 ICADLO CO[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001517766121 1070880412 /nfs/dbraw/zinc/88/04/12/1070880412.db2.gz DXULLSOEESBXIQ-JKSUJKDBSA-N 1 2 427.571 0.516 20 0 ICADLO CO[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC[NH+]1CCOCC1 ZINC001517780511 1070882220 /nfs/dbraw/zinc/88/22/20/1070882220.db2.gz ZSSXAWVABSLMBJ-INIZCTEOSA-N 1 2 441.536 0.995 20 0 ICADLO CO[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC[NH+]1CCOCC1 ZINC001517780514 1070882640 /nfs/dbraw/zinc/88/26/40/1070882640.db2.gz ZSSXAWVABSLMBJ-MRXNPFEDSA-N 1 2 441.536 0.995 20 0 ICADLO COC1(C)CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001517895934 1070890719 /nfs/dbraw/zinc/89/07/19/1070890719.db2.gz MAUPVGXUDWHOOF-FQEVSTJZSA-N 1 2 438.598 0.849 20 0 ICADLO COC1(C)CN(c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001517895936 1070890773 /nfs/dbraw/zinc/89/07/73/1070890773.db2.gz MAUPVGXUDWHOOF-HXUWFJFHSA-N 1 2 438.598 0.849 20 0 ICADLO CCN1C(=O)CO[C@H](C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)[C@H]1c1ccnn1C ZINC001517984474 1070900556 /nfs/dbraw/zinc/90/05/56/1070900556.db2.gz IULZWCHKMDBMTG-UXHICEINSA-N 1 2 428.493 0.887 20 0 ICADLO COC(=O)c1cc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc(S(C)(=O)=O)c1 ZINC001518058568 1070902632 /nfs/dbraw/zinc/90/26/32/1070902632.db2.gz XDDHYMROOQRYTO-WBVHZDCISA-N 1 2 426.491 0.695 20 0 ICADLO COc1ccc(C[NH+]2CCN(c3nnc(C)n3CCNS(C)(=O)=O)CC2)cc1F ZINC001518292003 1070911794 /nfs/dbraw/zinc/91/17/94/1070911794.db2.gz HPRNAQDANFMWRI-UHFFFAOYSA-N 1 2 426.518 0.606 20 0 ICADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C)n2CC(=O)N2CCOCC2)CC1 ZINC001518305632 1070912311 /nfs/dbraw/zinc/91/23/11/1070912311.db2.gz PCHDUOPEAOOOAG-UHFFFAOYSA-N 1 2 432.500 0.915 20 0 ICADLO COc1ccccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1CCNS(C)(=O)=O ZINC001518423415 1070917689 /nfs/dbraw/zinc/91/76/89/1070917689.db2.gz BXPIKZMIQRARND-UHFFFAOYSA-N 1 2 438.554 0.271 20 0 ICADLO COc1ccccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1CC(=O)N1CCOCC1 ZINC001518423562 1070917679 /nfs/dbraw/zinc/91/76/79/1070917679.db2.gz FQDZGKLVEQKKAO-UHFFFAOYSA-N 1 2 444.536 0.581 20 0 ICADLO COc1ccccc1Cc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@]1(O)CCOC1 ZINC001518453812 1070919314 /nfs/dbraw/zinc/91/93/14/1070919314.db2.gz KNADTWBGINSDPQ-JOCHJYFZSA-N 1 2 431.537 0.797 20 0 ICADLO COc1ccccc1Cc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@]1(O)CCOC1 ZINC001518453813 1070919237 /nfs/dbraw/zinc/91/92/37/1070919237.db2.gz KNADTWBGINSDPQ-QFIPXVFZSA-N 1 2 431.537 0.797 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001518534869 1070923172 /nfs/dbraw/zinc/92/31/72/1070923172.db2.gz BAAFJOWNZCKTHC-UHFFFAOYSA-N 1 2 429.481 0.947 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001518536995 1070923779 /nfs/dbraw/zinc/92/37/79/1070923779.db2.gz LTQXJVGKDGILTM-INIZCTEOSA-N 1 2 431.497 0.210 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001518537038 1070923903 /nfs/dbraw/zinc/92/39/03/1070923903.db2.gz LTQXJVGKDGILTM-MRXNPFEDSA-N 1 2 431.497 0.210 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001518537468 1070923824 /nfs/dbraw/zinc/92/38/24/1070923824.db2.gz OJTFDIUZDWCGDB-UHFFFAOYSA-N 1 2 449.537 0.048 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001518538999 1070923735 /nfs/dbraw/zinc/92/37/35/1070923735.db2.gz YVDNAALLFLPPRI-KRWDZBQOSA-N 1 2 443.508 0.307 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001518539014 1070923808 /nfs/dbraw/zinc/92/38/08/1070923808.db2.gz YVDNAALLFLPPRI-QGZVFWFLSA-N 1 2 443.508 0.307 20 0 ICADLO COc1cc[nH+]cc1Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001518540738 1070923753 /nfs/dbraw/zinc/92/37/53/1070923753.db2.gz CRFLQGWZUZLKIS-UHFFFAOYSA-N 1 2 444.521 0.659 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001518541282 1070923790 /nfs/dbraw/zinc/92/37/90/1070923790.db2.gz KMIVXWDMVBCMOU-HNNXBMFYSA-N 1 2 434.522 0.695 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001518541284 1070923860 /nfs/dbraw/zinc/92/38/60/1070923860.db2.gz KMIVXWDMVBCMOU-OAHLLOKOSA-N 1 2 434.522 0.695 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 ZINC001518541890 1070923845 /nfs/dbraw/zinc/92/38/45/1070923845.db2.gz PYWBKPLWGIHKHR-AWEZNQCLSA-N 1 2 436.538 0.957 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 ZINC001518541891 1070923802 /nfs/dbraw/zinc/92/38/02/1070923802.db2.gz PYWBKPLWGIHKHR-CQSZACIVSA-N 1 2 436.538 0.957 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001518541910 1070923854 /nfs/dbraw/zinc/92/38/54/1070923854.db2.gz RJKJBPQHEBXNDN-INIZCTEOSA-N 1 2 430.509 0.919 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001518541911 1070923763 /nfs/dbraw/zinc/92/37/63/1070923763.db2.gz RJKJBPQHEBXNDN-MRXNPFEDSA-N 1 2 430.509 0.919 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001518542248 1070923879 /nfs/dbraw/zinc/92/38/79/1070923879.db2.gz UITFBVXACUQDRW-KRWDZBQOSA-N 1 2 443.552 0.881 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001518542249 1070923816 /nfs/dbraw/zinc/92/38/16/1070923816.db2.gz UITFBVXACUQDRW-QGZVFWFLSA-N 1 2 443.552 0.881 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001518542994 1070923915 /nfs/dbraw/zinc/92/39/15/1070923915.db2.gz YDXGAZVGJJZQHB-HNNXBMFYSA-N 1 2 434.522 0.695 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001518542999 1070923886 /nfs/dbraw/zinc/92/38/86/1070923886.db2.gz YDXGAZVGJJZQHB-OAHLLOKOSA-N 1 2 434.522 0.695 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 ZINC001518543147 1070924407 /nfs/dbraw/zinc/92/44/07/1070924407.db2.gz ZUEUYXPQGZTHPV-HNNXBMFYSA-N 1 2 448.549 0.737 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 ZINC001518543148 1070924379 /nfs/dbraw/zinc/92/43/79/1070924379.db2.gz ZUEUYXPQGZTHPV-OAHLLOKOSA-N 1 2 448.549 0.737 20 0 ICADLO COc1cc[nH+]cc1Cn1c(CN2CCCC2=O)nnc1N(C)CCCS(C)(=O)=O ZINC001518543159 1070924420 /nfs/dbraw/zinc/92/44/20/1070924420.db2.gz IAXCEHDFNLJIAY-UHFFFAOYSA-N 1 2 436.538 0.723 20 0 ICADLO COc1cc[nH+]cc1Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001518544634 1070924326 /nfs/dbraw/zinc/92/43/26/1070924326.db2.gz WGFAPRYKEWPAPO-UHFFFAOYSA-N 1 2 443.533 0.797 20 0 ICADLO COc1cc[nH+]cc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001518544797 1070924443 /nfs/dbraw/zinc/92/44/43/1070924443.db2.gz LOMXDODNRAHNED-UHFFFAOYSA-N 1 2 432.510 0.212 20 0 ICADLO COc1cc[nH+]cc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001518545287 1070924387 /nfs/dbraw/zinc/92/43/87/1070924387.db2.gz QRVOTWTUSRNGJL-KRWDZBQOSA-N 1 2 426.481 0.472 20 0 ICADLO COc1cc[nH+]cc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001518545290 1070924368 /nfs/dbraw/zinc/92/43/68/1070924368.db2.gz QRVOTWTUSRNGJL-QGZVFWFLSA-N 1 2 426.481 0.472 20 0 ICADLO COc1cc[nH+]cc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001518545317 1070924350 /nfs/dbraw/zinc/92/43/50/1070924350.db2.gz RFURBWQKWQQVOC-UHFFFAOYSA-N 1 2 439.524 0.341 20 0 ICADLO COc1cc[nH+]cc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 ZINC001518550565 1070924963 /nfs/dbraw/zinc/92/49/63/1070924963.db2.gz ODGNKFKYLOGJLN-UHFFFAOYSA-N 1 2 441.517 1.000 20 0 ICADLO CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001518639603 1070932720 /nfs/dbraw/zinc/93/27/20/1070932720.db2.gz VAHXZMNYDJLWGD-FGTMMUONSA-N 1 2 441.598 0.762 20 0 ICADLO CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001518639624 1070932646 /nfs/dbraw/zinc/93/26/46/1070932646.db2.gz VAHXZMNYDJLWGD-KZNAEPCWSA-N 1 2 441.598 0.762 20 0 ICADLO CO[C@@H]1COCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001518639634 1070932680 /nfs/dbraw/zinc/93/26/80/1070932680.db2.gz VAHXZMNYDJLWGD-OKZBNKHCSA-N 1 2 441.598 0.762 20 0 ICADLO CO[C@@H]1COCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001518639642 1070933280 /nfs/dbraw/zinc/93/32/80/1070933280.db2.gz VAHXZMNYDJLWGD-RCCFBDPRSA-N 1 2 441.598 0.762 20 0 ICADLO COCC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001518652525 1070935800 /nfs/dbraw/zinc/93/58/00/1070935800.db2.gz HNMFDATUIAVIQI-UHFFFAOYSA-N 1 2 437.508 0.539 20 0 ICADLO COCC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001518652889 1070936275 /nfs/dbraw/zinc/93/62/75/1070936275.db2.gz LJILWNBVNMABAT-UHFFFAOYSA-N 1 2 439.524 0.871 20 0 ICADLO CC1(C)NC(=O)N(CCCNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC001518660643 1070940227 /nfs/dbraw/zinc/94/02/27/1070940227.db2.gz IWPAITDALOFLKL-GOSISDBHSA-N 1 2 431.537 0.950 20 0 ICADLO CC1(C)NC(=O)N(CCCNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC001518660645 1070940126 /nfs/dbraw/zinc/94/01/26/1070940126.db2.gz IWPAITDALOFLKL-SFHVURJKSA-N 1 2 431.537 0.950 20 0 ICADLO COCC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001518670469 1070943566 /nfs/dbraw/zinc/94/35/66/1070943566.db2.gz GKPQIZMDMQHYII-KRWDZBQOSA-N 1 2 448.593 0.946 20 0 ICADLO COCC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001518670469 1070943558 /nfs/dbraw/zinc/94/35/58/1070943558.db2.gz GKPQIZMDMQHYII-KRWDZBQOSA-N 1 2 448.593 0.946 20 0 ICADLO COCC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001518670473 1070943659 /nfs/dbraw/zinc/94/36/59/1070943659.db2.gz GKPQIZMDMQHYII-QGZVFWFLSA-N 1 2 448.593 0.946 20 0 ICADLO COCC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001518670473 1070943655 /nfs/dbraw/zinc/94/36/55/1070943655.db2.gz GKPQIZMDMQHYII-QGZVFWFLSA-N 1 2 448.593 0.946 20 0 ICADLO COC[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001518698296 1070947020 /nfs/dbraw/zinc/94/70/20/1070947020.db2.gz MUWGZYLPAWXABX-CVEARBPZSA-N 1 2 430.557 0.750 20 0 ICADLO COC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001518698301 1070947067 /nfs/dbraw/zinc/94/70/67/1070947067.db2.gz MUWGZYLPAWXABX-HOTGVXAUSA-N 1 2 430.557 0.750 20 0 ICADLO COC[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001518698305 1070947062 /nfs/dbraw/zinc/94/70/62/1070947062.db2.gz MUWGZYLPAWXABX-HZPDHXFCSA-N 1 2 430.557 0.750 20 0 ICADLO COC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001518698308 1070947032 /nfs/dbraw/zinc/94/70/32/1070947032.db2.gz MUWGZYLPAWXABX-JKSUJKDBSA-N 1 2 430.557 0.750 20 0 ICADLO COC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001518711605 1070950501 /nfs/dbraw/zinc/95/05/01/1070950501.db2.gz IQMPRQFUTZZNAI-KRWDZBQOSA-N 1 2 429.525 0.897 20 0 ICADLO COC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001518711609 1070950416 /nfs/dbraw/zinc/95/04/16/1070950416.db2.gz IQMPRQFUTZZNAI-QGZVFWFLSA-N 1 2 429.525 0.897 20 0 ICADLO COC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)OC ZINC001518727769 1070953461 /nfs/dbraw/zinc/95/34/61/1070953461.db2.gz IDJZHQNNKKJMHS-CVEARBPZSA-N 1 2 429.587 0.762 20 0 ICADLO COC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)OC ZINC001518727770 1070953476 /nfs/dbraw/zinc/95/34/76/1070953476.db2.gz IDJZHQNNKKJMHS-HOTGVXAUSA-N 1 2 429.587 0.762 20 0 ICADLO COC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)OC ZINC001518727772 1070953616 /nfs/dbraw/zinc/95/36/16/1070953616.db2.gz IDJZHQNNKKJMHS-HZPDHXFCSA-N 1 2 429.587 0.762 20 0 ICADLO COC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)OC ZINC001518727774 1070953550 /nfs/dbraw/zinc/95/35/50/1070953550.db2.gz IDJZHQNNKKJMHS-JKSUJKDBSA-N 1 2 429.587 0.762 20 0 ICADLO COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001518730181 1070954050 /nfs/dbraw/zinc/95/40/50/1070954050.db2.gz JMXRUEMXRFMMSA-DOTOQJQBSA-N 1 2 449.581 0.978 20 0 ICADLO COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001518730190 1070954075 /nfs/dbraw/zinc/95/40/75/1070954075.db2.gz JMXRUEMXRFMMSA-NVXWUHKLSA-N 1 2 449.581 0.978 20 0 ICADLO COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001518730193 1070954129 /nfs/dbraw/zinc/95/41/29/1070954129.db2.gz JMXRUEMXRFMMSA-RDJZCZTQSA-N 1 2 449.581 0.978 20 0 ICADLO COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001518730194 1070954146 /nfs/dbraw/zinc/95/41/46/1070954146.db2.gz JMXRUEMXRFMMSA-WBVHZDCISA-N 1 2 449.581 0.978 20 0 ICADLO COC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1)OC ZINC001518734295 1070955779 /nfs/dbraw/zinc/95/57/79/1070955779.db2.gz QQXZIVZWVVBKEU-DOTOQJQBSA-N 1 2 427.571 0.516 20 0 ICADLO COC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1)OC ZINC001518734306 1070955822 /nfs/dbraw/zinc/95/58/22/1070955822.db2.gz QQXZIVZWVVBKEU-NVXWUHKLSA-N 1 2 427.571 0.516 20 0 ICADLO COC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1)OC ZINC001518734309 1070955766 /nfs/dbraw/zinc/95/57/66/1070955766.db2.gz QQXZIVZWVVBKEU-RDJZCZTQSA-N 1 2 427.571 0.516 20 0 ICADLO COC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1)OC ZINC001518734313 1070955730 /nfs/dbraw/zinc/95/57/30/1070955730.db2.gz QQXZIVZWVVBKEU-WBVHZDCISA-N 1 2 427.571 0.516 20 0 ICADLO COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001518737320 1070957654 /nfs/dbraw/zinc/95/76/54/1070957654.db2.gz WQHYOOPIYJYEKW-CVEARBPZSA-N 1 2 430.513 0.316 20 0 ICADLO COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001518737323 1070957627 /nfs/dbraw/zinc/95/76/27/1070957627.db2.gz WQHYOOPIYJYEKW-HOTGVXAUSA-N 1 2 430.513 0.316 20 0 ICADLO COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001518737328 1070957547 /nfs/dbraw/zinc/95/75/47/1070957547.db2.gz WQHYOOPIYJYEKW-HZPDHXFCSA-N 1 2 430.513 0.316 20 0 ICADLO COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001518737331 1070957567 /nfs/dbraw/zinc/95/75/67/1070957567.db2.gz WQHYOOPIYJYEKW-JKSUJKDBSA-N 1 2 430.513 0.316 20 0 ICADLO COC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)OC ZINC001518739449 1070958149 /nfs/dbraw/zinc/95/81/49/1070958149.db2.gz JLTKJTYTHGHJAM-CRAIPNDOSA-N 1 2 446.556 0.129 20 0 ICADLO COC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)OC ZINC001518739451 1070958276 /nfs/dbraw/zinc/95/82/76/1070958276.db2.gz JLTKJTYTHGHJAM-MAUKXSAKSA-N 1 2 446.556 0.129 20 0 ICADLO COC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)OC ZINC001518739453 1070958084 /nfs/dbraw/zinc/95/80/84/1070958084.db2.gz JLTKJTYTHGHJAM-QAPCUYQASA-N 1 2 446.556 0.129 20 0 ICADLO COC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)OC ZINC001518739455 1070958208 /nfs/dbraw/zinc/95/82/08/1070958208.db2.gz JLTKJTYTHGHJAM-YJBOKZPZSA-N 1 2 446.556 0.129 20 0 ICADLO COCc1nc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[NH+]2CCOCC2)cs1 ZINC001518825543 1070967033 /nfs/dbraw/zinc/96/70/33/1070967033.db2.gz FGGRGGFKGHYTLS-UHFFFAOYSA-N 1 2 449.581 0.934 20 0 ICADLO COC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001518866757 1070970154 /nfs/dbraw/zinc/97/01/54/1070970154.db2.gz HOLJNPZMNXYCAN-ARFHVFGLSA-N 1 2 430.575 0.082 20 0 ICADLO COC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001518866757 1070970149 /nfs/dbraw/zinc/97/01/49/1070970149.db2.gz HOLJNPZMNXYCAN-ARFHVFGLSA-N 1 2 430.575 0.082 20 0 ICADLO COC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001518866758 1070970181 /nfs/dbraw/zinc/97/01/81/1070970181.db2.gz HOLJNPZMNXYCAN-BZUAXINKSA-N 1 2 430.575 0.082 20 0 ICADLO COC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001518866758 1070970174 /nfs/dbraw/zinc/97/01/74/1070970174.db2.gz HOLJNPZMNXYCAN-BZUAXINKSA-N 1 2 430.575 0.082 20 0 ICADLO COC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001518866759 1070970104 /nfs/dbraw/zinc/97/01/04/1070970104.db2.gz HOLJNPZMNXYCAN-HRCADAONSA-N 1 2 430.575 0.082 20 0 ICADLO COC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001518866759 1070970102 /nfs/dbraw/zinc/97/01/02/1070970102.db2.gz HOLJNPZMNXYCAN-HRCADAONSA-N 1 2 430.575 0.082 20 0 ICADLO COC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001518866760 1070970198 /nfs/dbraw/zinc/97/01/98/1070970198.db2.gz HOLJNPZMNXYCAN-OWCLPIDISA-N 1 2 430.575 0.082 20 0 ICADLO COC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001518866760 1070970194 /nfs/dbraw/zinc/97/01/94/1070970194.db2.gz HOLJNPZMNXYCAN-OWCLPIDISA-N 1 2 430.575 0.082 20 0 ICADLO COC[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001518895333 1070972499 /nfs/dbraw/zinc/97/24/99/1070972499.db2.gz QFFDAFPFSSXFTC-FQEVSTJZSA-N 1 2 427.553 0.901 20 0 ICADLO COC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001518895334 1070972508 /nfs/dbraw/zinc/97/25/08/1070972508.db2.gz QFFDAFPFSSXFTC-HXUWFJFHSA-N 1 2 427.553 0.901 20 0 ICADLO COC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001518897822 1070972565 /nfs/dbraw/zinc/97/25/65/1070972565.db2.gz IDIGZQQXCBYRHE-KRWDZBQOSA-N 1 2 436.557 0.477 20 0 ICADLO COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001518897828 1070973093 /nfs/dbraw/zinc/97/30/93/1070973093.db2.gz IDIGZQQXCBYRHE-QGZVFWFLSA-N 1 2 436.557 0.477 20 0 ICADLO COC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001518927310 1070980254 /nfs/dbraw/zinc/98/02/54/1070980254.db2.gz HVLUHNYFQBOPOD-DLBZAZTESA-N 1 2 425.555 0.294 20 0 ICADLO COC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001518927310 1070980250 /nfs/dbraw/zinc/98/02/50/1070980250.db2.gz HVLUHNYFQBOPOD-DLBZAZTESA-N 1 2 425.555 0.294 20 0 ICADLO COC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001518927312 1070980075 /nfs/dbraw/zinc/98/00/75/1070980075.db2.gz HVLUHNYFQBOPOD-IAGOWNOFSA-N 1 2 425.555 0.294 20 0 ICADLO COC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001518927312 1070980063 /nfs/dbraw/zinc/98/00/63/1070980063.db2.gz HVLUHNYFQBOPOD-IAGOWNOFSA-N 1 2 425.555 0.294 20 0 ICADLO COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001518927314 1070980182 /nfs/dbraw/zinc/98/01/82/1070980182.db2.gz HVLUHNYFQBOPOD-IRXDYDNUSA-N 1 2 425.555 0.294 20 0 ICADLO COC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001518927314 1070980180 /nfs/dbraw/zinc/98/01/80/1070980180.db2.gz HVLUHNYFQBOPOD-IRXDYDNUSA-N 1 2 425.555 0.294 20 0 ICADLO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001518927316 1070980698 /nfs/dbraw/zinc/98/06/98/1070980698.db2.gz HVLUHNYFQBOPOD-SJORKVTESA-N 1 2 425.555 0.294 20 0 ICADLO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001518927316 1070980695 /nfs/dbraw/zinc/98/06/95/1070980695.db2.gz HVLUHNYFQBOPOD-SJORKVTESA-N 1 2 425.555 0.294 20 0 ICADLO COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001519074799 1071000240 /nfs/dbraw/zinc/00/02/40/1071000240.db2.gz SQJMBXSDHKYFGV-INIZCTEOSA-N 1 2 427.571 0.518 20 0 ICADLO COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001519074803 1071000392 /nfs/dbraw/zinc/00/03/92/1071000392.db2.gz SQJMBXSDHKYFGV-MRXNPFEDSA-N 1 2 427.571 0.518 20 0 ICADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCC2)CC1 ZINC001519080198 1071000630 /nfs/dbraw/zinc/00/06/30/1071000630.db2.gz GVNOCPMUGXCCES-KRWDZBQOSA-N 1 2 445.568 0.851 20 0 ICADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCC2)CC1 ZINC001519080200 1071000960 /nfs/dbraw/zinc/00/09/60/1071000960.db2.gz GVNOCPMUGXCCES-QGZVFWFLSA-N 1 2 445.568 0.851 20 0 ICADLO COCC[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001519119907 1071011316 /nfs/dbraw/zinc/01/13/16/1071011316.db2.gz YDXRDPDRRFYRPK-INIZCTEOSA-N 1 2 444.602 0.398 20 0 ICADLO COCC[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001519119907 1071011299 /nfs/dbraw/zinc/01/12/99/1071011299.db2.gz YDXRDPDRRFYRPK-INIZCTEOSA-N 1 2 444.602 0.398 20 0 ICADLO COCC[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001519119910 1071011897 /nfs/dbraw/zinc/01/18/97/1071011897.db2.gz YDXRDPDRRFYRPK-MRXNPFEDSA-N 1 2 444.602 0.398 20 0 ICADLO COCC[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001519119910 1071011881 /nfs/dbraw/zinc/01/18/81/1071011881.db2.gz YDXRDPDRRFYRPK-MRXNPFEDSA-N 1 2 444.602 0.398 20 0 ICADLO COCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519159968 1071015162 /nfs/dbraw/zinc/01/51/62/1071015162.db2.gz KEJIUEHCWQCOLJ-GOSISDBHSA-N 1 2 433.557 0.256 20 0 ICADLO COCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519159972 1071014931 /nfs/dbraw/zinc/01/49/31/1071014931.db2.gz KEJIUEHCWQCOLJ-SFHVURJKSA-N 1 2 433.557 0.256 20 0 ICADLO COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@@](C)=O)CCC2)C[C@@H]1C ZINC001519193897 1071021134 /nfs/dbraw/zinc/02/11/34/1071021134.db2.gz ICCWJNIEXUUACP-BEIWTESXSA-N 1 2 440.614 0.874 20 0 ICADLO COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@@](C)=O)CCC2)C[C@@H]1C ZINC001519193897 1071021112 /nfs/dbraw/zinc/02/11/12/1071021112.db2.gz ICCWJNIEXUUACP-BEIWTESXSA-N 1 2 440.614 0.874 20 0 ICADLO COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@](C)=O)CCC2)C[C@@H]1C ZINC001519193903 1071021068 /nfs/dbraw/zinc/02/10/68/1071021068.db2.gz ICCWJNIEXUUACP-DFYVNMARSA-N 1 2 440.614 0.874 20 0 ICADLO COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@](C)=O)CCC2)C[C@@H]1C ZINC001519193903 1071021049 /nfs/dbraw/zinc/02/10/49/1071021049.db2.gz ICCWJNIEXUUACP-DFYVNMARSA-N 1 2 440.614 0.874 20 0 ICADLO COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@](C)=O)CCC2)C[C@H]1C ZINC001519193908 1071021413 /nfs/dbraw/zinc/02/14/13/1071021413.db2.gz ICCWJNIEXUUACP-JTBPQFFMSA-N 1 2 440.614 0.874 20 0 ICADLO COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@](C)=O)CCC2)C[C@H]1C ZINC001519193908 1071021398 /nfs/dbraw/zinc/02/13/98/1071021398.db2.gz ICCWJNIEXUUACP-JTBPQFFMSA-N 1 2 440.614 0.874 20 0 ICADLO COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@@](C)=O)CCC2)C[C@H]1C ZINC001519193911 1071021467 /nfs/dbraw/zinc/02/14/67/1071021467.db2.gz ICCWJNIEXUUACP-XHDOVSQSSA-N 1 2 440.614 0.874 20 0 ICADLO COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@@](C)=O)CCC2)C[C@H]1C ZINC001519193911 1071021449 /nfs/dbraw/zinc/02/14/49/1071021449.db2.gz ICCWJNIEXUUACP-XHDOVSQSSA-N 1 2 440.614 0.874 20 0 ICADLO COCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001519195574 1071022702 /nfs/dbraw/zinc/02/27/02/1071022702.db2.gz JUNINXCKOLFRPE-HNNXBMFYSA-N 1 2 431.545 0.340 20 0 ICADLO 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COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001519426166 1071079311 /nfs/dbraw/zinc/07/93/11/1071079311.db2.gz UTOMTBYOQVDHST-DFEOGRTESA-N 1 2 436.557 0.390 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001519426169 1071079032 /nfs/dbraw/zinc/07/90/32/1071079032.db2.gz UTOMTBYOQVDHST-DWRORGKVSA-N 1 2 436.557 0.390 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001519426171 1071079291 /nfs/dbraw/zinc/07/92/91/1071079291.db2.gz UTOMTBYOQVDHST-VXNCWWDNSA-N 1 2 436.557 0.390 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001519426173 1071079156 /nfs/dbraw/zinc/07/91/56/1071079156.db2.gz UTOMTBYOQVDHST-ZMMAXQRCSA-N 1 2 436.557 0.390 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001519427178 1071079348 /nfs/dbraw/zinc/07/93/48/1071079348.db2.gz SWKXRWXZJSAYNU-NJAFHUGGSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001519427178 1071079337 /nfs/dbraw/zinc/07/93/37/1071079337.db2.gz SWKXRWXZJSAYNU-NJAFHUGGSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001519427180 1071079106 /nfs/dbraw/zinc/07/91/06/1071079106.db2.gz SWKXRWXZJSAYNU-SZMVWBNQSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001519427180 1071079088 /nfs/dbraw/zinc/07/90/88/1071079088.db2.gz SWKXRWXZJSAYNU-SZMVWBNQSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001519435582 1071081192 /nfs/dbraw/zinc/08/11/92/1071081192.db2.gz JYBJADSAWMOZAI-BDXSIMOUSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001519435582 1071081186 /nfs/dbraw/zinc/08/11/86/1071081186.db2.gz JYBJADSAWMOZAI-BDXSIMOUSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001519435584 1071080994 /nfs/dbraw/zinc/08/09/94/1071080994.db2.gz JYBJADSAWMOZAI-MHORFTMASA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001519435584 1071080976 /nfs/dbraw/zinc/08/09/76/1071080976.db2.gz JYBJADSAWMOZAI-MHORFTMASA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001519435586 1071081305 /nfs/dbraw/zinc/08/13/05/1071081305.db2.gz JYBJADSAWMOZAI-OWSLCNJRSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001519435586 1071081291 /nfs/dbraw/zinc/08/12/91/1071081291.db2.gz JYBJADSAWMOZAI-OWSLCNJRSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001519435588 1071081165 /nfs/dbraw/zinc/08/11/65/1071081165.db2.gz JYBJADSAWMOZAI-XSLAGTTESA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001519435588 1071081158 /nfs/dbraw/zinc/08/11/58/1071081158.db2.gz JYBJADSAWMOZAI-XSLAGTTESA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CC(=O)N(C)C ZINC001519445736 1071083305 /nfs/dbraw/zinc/08/33/05/1071083305.db2.gz FZGVGYQUPDBQNZ-LPHOPBHVSA-N 1 2 447.540 0.709 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC[C@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519449749 1071084600 /nfs/dbraw/zinc/08/46/00/1071084600.db2.gz CRLJREWJJJDUDI-NEWSRXKRSA-N 1 2 436.557 0.391 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC[C@@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519449750 1071084571 /nfs/dbraw/zinc/08/45/71/1071084571.db2.gz CRLJREWJJJDUDI-WDSOQIARSA-N 1 2 436.557 0.391 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(Nc2ccn(C)n2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519452448 1071085994 /nfs/dbraw/zinc/08/59/94/1071085994.db2.gz LYQUOLYHXNRITE-WMZOPIPTSA-N 1 2 432.529 0.643 20 0 ICADLO CON(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001519453153 1071086263 /nfs/dbraw/zinc/08/62/63/1071086263.db2.gz BNPPLPPQVNWRQD-KBPBESRZSA-N 1 2 439.542 0.554 20 0 ICADLO CON(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001519453154 1071086393 /nfs/dbraw/zinc/08/63/93/1071086393.db2.gz BNPPLPPQVNWRQD-KGLIPLIRSA-N 1 2 439.542 0.554 20 0 ICADLO CON(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001519453155 1071086599 /nfs/dbraw/zinc/08/65/99/1071086599.db2.gz BNPPLPPQVNWRQD-UONOGXRCSA-N 1 2 439.542 0.554 20 0 ICADLO CON(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001519453156 1071086446 /nfs/dbraw/zinc/08/64/46/1071086446.db2.gz BNPPLPPQVNWRQD-ZIAGYGMSSA-N 1 2 439.542 0.554 20 0 ICADLO CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1OC ZINC001519496127 1071093915 /nfs/dbraw/zinc/09/39/15/1071093915.db2.gz HKJSGKANUYPLQQ-KURKYZTESA-N 1 2 438.573 0.623 20 0 ICADLO CO[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1OC ZINC001519496128 1071093983 /nfs/dbraw/zinc/09/39/83/1071093983.db2.gz HKJSGKANUYPLQQ-OKZBNKHCSA-N 1 2 438.573 0.623 20 0 ICADLO CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCSCC2)C1 ZINC001519514527 1071101707 /nfs/dbraw/zinc/10/17/07/1071101707.db2.gz YAVDGEPGMGNWSX-HNNXBMFYSA-N 1 2 437.595 0.797 20 0 ICADLO CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCSCC2)C1 ZINC001519514547 1071101629 /nfs/dbraw/zinc/10/16/29/1071101629.db2.gz YAVDGEPGMGNWSX-OAHLLOKOSA-N 1 2 437.595 0.797 20 0 ICADLO CS(=O)(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001519517707 1071102480 /nfs/dbraw/zinc/10/24/80/1071102480.db2.gz ZRWVBIOOLBORII-UHFFFAOYSA-N 1 2 436.582 0.676 20 0 ICADLO CS(=O)(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CC=CCC2)CC1 ZINC001519517707 1071102469 /nfs/dbraw/zinc/10/24/69/1071102469.db2.gz ZRWVBIOOLBORII-UHFFFAOYSA-N 1 2 436.582 0.676 20 0 ICADLO CS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001519523239 1071107377 /nfs/dbraw/zinc/10/73/77/1071107377.db2.gz OWNJUNSCKCTXET-UHFFFAOYSA-N 1 2 433.538 0.502 20 0 ICADLO CS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001519524889 1071108776 /nfs/dbraw/zinc/10/87/76/1071108776.db2.gz KKBYASHLFSFLKQ-GOSISDBHSA-N 1 2 446.577 0.639 20 0 ICADLO CS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001519524893 1071108925 /nfs/dbraw/zinc/10/89/25/1071108925.db2.gz KKBYASHLFSFLKQ-SFHVURJKSA-N 1 2 446.577 0.639 20 0 ICADLO CS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001519526931 1071110522 /nfs/dbraw/zinc/11/05/22/1071110522.db2.gz VZUHBKHNXHCEDZ-DLBZAZTESA-N 1 2 427.571 0.723 20 0 ICADLO CS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001519526935 1071110544 /nfs/dbraw/zinc/11/05/44/1071110544.db2.gz VZUHBKHNXHCEDZ-IAGOWNOFSA-N 1 2 427.571 0.723 20 0 ICADLO CS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001519526937 1071110668 /nfs/dbraw/zinc/11/06/68/1071110668.db2.gz VZUHBKHNXHCEDZ-IRXDYDNUSA-N 1 2 427.571 0.723 20 0 ICADLO CS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001519526940 1071110680 /nfs/dbraw/zinc/11/06/80/1071110680.db2.gz VZUHBKHNXHCEDZ-SJORKVTESA-N 1 2 427.571 0.723 20 0 ICADLO CS(=O)(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCCNc2cccc[nH+]2)CC1 ZINC001519547629 1071124569 /nfs/dbraw/zinc/12/45/69/1071124569.db2.gz NDCZDTGKADKESX-INIZCTEOSA-N 1 2 435.554 0.761 20 0 ICADLO CS(=O)(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCCNc2cccc[nH+]2)CC1 ZINC001519547631 1071124658 /nfs/dbraw/zinc/12/46/58/1071124658.db2.gz NDCZDTGKADKESX-MRXNPFEDSA-N 1 2 435.554 0.761 20 0 ICADLO C[C@@H]1CCCN(C(=O)CCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC001519714867 1071146166 /nfs/dbraw/zinc/14/61/66/1071146166.db2.gz GWDMLOBNBFNWEP-GOSISDBHSA-N 1 2 445.568 0.793 20 0 ICADLO C[C@@H]1CCCN(C(=O)CCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC001519714867 1071146158 /nfs/dbraw/zinc/14/61/58/1071146158.db2.gz GWDMLOBNBFNWEP-GOSISDBHSA-N 1 2 445.568 0.793 20 0 ICADLO C[C@H]1CCCN(C(=O)CCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC001519714869 1071146225 /nfs/dbraw/zinc/14/62/25/1071146225.db2.gz GWDMLOBNBFNWEP-SFHVURJKSA-N 1 2 445.568 0.793 20 0 ICADLO C[C@H]1CCCN(C(=O)CCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC001519714869 1071146219 /nfs/dbraw/zinc/14/62/19/1071146219.db2.gz GWDMLOBNBFNWEP-SFHVURJKSA-N 1 2 445.568 0.793 20 0 ICADLO COC(=O)[C@H]1CCCN(CC(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)C1=O ZINC001520082691 1071153273 /nfs/dbraw/zinc/15/32/73/1071153273.db2.gz AVJFEIFKXWGNSC-IBGZPJMESA-N 1 2 433.505 0.630 20 0 ICADLO COC(=O)[C@@H]1CCCN(CC(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)C1=O ZINC001520082696 1071153316 /nfs/dbraw/zinc/15/33/16/1071153316.db2.gz AVJFEIFKXWGNSC-LJQANCHMSA-N 1 2 433.505 0.630 20 0 ICADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC001520129437 1071154194 /nfs/dbraw/zinc/15/41/94/1071154194.db2.gz JYBIADYSZKRDQU-UHFFFAOYSA-N 1 2 430.509 0.916 20 0 ICADLO Cc1cc(S(=O)(=O)NCCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c(C)s1 ZINC001520535491 1071158999 /nfs/dbraw/zinc/15/89/99/1071158999.db2.gz RMZLMHTXTINGOS-CVEARBPZSA-N 1 2 431.580 0.639 20 0 ICADLO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)CCN1S(C)(=O)=O ZINC001520788834 1071166707 /nfs/dbraw/zinc/16/67/07/1071166707.db2.gz XTNUMPBAKNIEAF-DOTOQJQBSA-N 1 2 449.581 0.761 20 0 ICADLO C[C@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)CCN1S(C)(=O)=O ZINC001520788835 1071166850 /nfs/dbraw/zinc/16/68/50/1071166850.db2.gz XTNUMPBAKNIEAF-RDJZCZTQSA-N 1 2 449.581 0.761 20 0 ICADLO Cn1cc[nH+]c1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001520837170 1071170343 /nfs/dbraw/zinc/17/03/43/1071170343.db2.gz VYFNDLYARPBRBQ-UHFFFAOYSA-N 1 2 434.518 0.951 20 0 ICADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCCc3[nH+]ccn3C)CC2)cc1 ZINC001520844285 1071171108 /nfs/dbraw/zinc/17/11/08/1071171108.db2.gz UQEGYFSODBGTRC-UHFFFAOYSA-N 1 2 447.561 0.701 20 0 ICADLO CN(C(=O)c1[nH]ncc1Br)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001520856284 1071171712 /nfs/dbraw/zinc/17/17/12/1071171712.db2.gz MPCDGQFZKXEZBD-UHFFFAOYSA-N 1 2 427.347 0.483 20 0 ICADLO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001520905810 1071172668 /nfs/dbraw/zinc/17/26/68/1071172668.db2.gz UTYUPOQWYMMAGX-BEFAXECRSA-N 1 2 442.534 0.934 20 0 ICADLO CC1(C)NC(=O)N(CCCNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1=O ZINC001521182160 1071182157 /nfs/dbraw/zinc/18/21/57/1071182157.db2.gz MGFREJZIFJOSDG-UHFFFAOYSA-N 1 2 447.536 0.917 20 0 ICADLO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001521184960 1071183090 /nfs/dbraw/zinc/18/30/90/1071183090.db2.gz BBGNIBXAGAJMEK-MJGOQNOKSA-N 1 2 437.562 0.701 20 0 ICADLO NC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCNc2cccc[nH+]2)CC1 ZINC001521215258 1071185568 /nfs/dbraw/zinc/18/55/68/1071185568.db2.gz YJIOSEYIXNQMMA-UHFFFAOYSA-N 1 2 426.525 0.999 20 0 ICADLO NC(=O)[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)C1 ZINC001521262862 1071191056 /nfs/dbraw/zinc/19/10/56/1071191056.db2.gz HWQZUPUBPKPTLE-HOTGVXAUSA-N 1 2 447.565 0.779 20 0 ICADLO NC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)C1 ZINC001521262863 1071191114 /nfs/dbraw/zinc/19/11/14/1071191114.db2.gz HWQZUPUBPKPTLE-JKSUJKDBSA-N 1 2 447.565 0.779 20 0 ICADLO O=C(c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCOCCCO)N1CCCC1 ZINC001521280992 1071191658 /nfs/dbraw/zinc/19/16/58/1071191658.db2.gz PRJQBCNYADQXME-UHFFFAOYSA-N 1 2 429.525 0.635 20 0 ICADLO O=C(Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc[nH+]2)CC1)NCC(F)F ZINC001521326158 1071193212 /nfs/dbraw/zinc/19/32/12/1071193212.db2.gz DLZHLQKJZGTPLF-UHFFFAOYSA-N 1 2 429.435 0.838 20 0 ICADLO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001521389168 1071198152 /nfs/dbraw/zinc/19/81/52/1071198152.db2.gz RNXVWFXSUUIQFI-HKBOAZHASA-N 1 2 431.533 0.453 20 0 ICADLO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001521389169 1071197850 /nfs/dbraw/zinc/19/78/50/1071197850.db2.gz RNXVWFXSUUIQFI-NJYVYQBISA-N 1 2 431.533 0.453 20 0 ICADLO CC1(C)NC(=O)N(CCCNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC001522507386 1071223477 /nfs/dbraw/zinc/22/34/77/1071223477.db2.gz RJDCSQKIOFRZCA-UHFFFAOYSA-N 1 2 430.509 0.347 20 0 ICADLO COC(=O)[C@H]1CCCN(CC(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)C1=O ZINC001522587755 1071224164 /nfs/dbraw/zinc/22/41/64/1071224164.db2.gz PHMONTHRTMMCTN-IBGZPJMESA-N 1 2 430.505 0.701 20 0 ICADLO COC(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)C1=O ZINC001522587758 1071224207 /nfs/dbraw/zinc/22/42/07/1071224207.db2.gz PHMONTHRTMMCTN-LJQANCHMSA-N 1 2 430.505 0.701 20 0 ICADLO O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001522682980 1071224744 /nfs/dbraw/zinc/22/47/44/1071224744.db2.gz YUAYMYDELJJFMV-MJGOQNOKSA-N 1 2 439.534 0.526 20 0 ICADLO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001522978646 1071226475 /nfs/dbraw/zinc/22/64/75/1071226475.db2.gz PKCYJVZQAPLHQG-BEFAXECRSA-N 1 2 440.566 0.821 20 0 ICADLO CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC001523306951 1071229904 /nfs/dbraw/zinc/22/99/04/1071229904.db2.gz GMCAGXBXQMXQDB-KRWDZBQOSA-N 1 2 446.552 0.235 20 0 ICADLO CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC001523306951 1071229894 /nfs/dbraw/zinc/22/98/94/1071229894.db2.gz GMCAGXBXQMXQDB-KRWDZBQOSA-N 1 2 446.552 0.235 20 0 ICADLO CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC001523306953 1071229767 /nfs/dbraw/zinc/22/97/67/1071229767.db2.gz GMCAGXBXQMXQDB-QGZVFWFLSA-N 1 2 446.552 0.235 20 0 ICADLO CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC001523306953 1071229755 /nfs/dbraw/zinc/22/97/55/1071229755.db2.gz GMCAGXBXQMXQDB-QGZVFWFLSA-N 1 2 446.552 0.235 20 0 ICADLO COC(=O)c1cccn(CC(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)c1=O ZINC001523384348 1071231287 /nfs/dbraw/zinc/23/12/87/1071231287.db2.gz ZXYLJKBVKGPZMY-UHFFFAOYSA-N 1 2 426.473 0.938 20 0 ICADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC001523401876 1071231322 /nfs/dbraw/zinc/23/13/22/1071231322.db2.gz NLSWCEOPSHLSPE-UHFFFAOYSA-N 1 2 427.509 0.872 20 0 ICADLO COC(=O)[C@@H]1CCCN(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1=O ZINC001524262332 1071239871 /nfs/dbraw/zinc/23/98/71/1071239871.db2.gz VCDYWNLLSSLMBT-GOSISDBHSA-N 1 2 430.505 0.617 20 0 ICADLO COC(=O)[C@H]1CCCN(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1=O ZINC001524262333 1071239823 /nfs/dbraw/zinc/23/98/23/1071239823.db2.gz VCDYWNLLSSLMBT-SFHVURJKSA-N 1 2 430.505 0.617 20 0 ICADLO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001524328512 1071240530 /nfs/dbraw/zinc/24/05/30/1071240530.db2.gz UKDHMTPNCPYWLP-ZBFHGGJFSA-N 1 2 449.932 0.753 20 0 ICADLO O=C(Nc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001524704678 1071246079 /nfs/dbraw/zinc/24/60/79/1071246079.db2.gz XMEQGXAVJPOSMP-AEFFLSMTSA-N 1 2 439.534 0.526 20 0 ICADLO CCOC1CC(CNC(=O)[C@@H]2CC(=O)N(c3cnn(CCOC)c3)C2)([NH+]2CCOCC2)C1 ZINC001524806379 1071248082 /nfs/dbraw/zinc/24/80/82/1071248082.db2.gz KVXTZKLDEHLBIB-BWDFOLQRSA-N 1 2 449.552 0.269 20 0 ICADLO CCOC1CC(CNC(=O)[C@H]2CC(=O)N(c3cnn(CCOC)c3)C2)([NH+]2CCOCC2)C1 ZINC001524806381 1071248197 /nfs/dbraw/zinc/24/81/97/1071248197.db2.gz KVXTZKLDEHLBIB-QXAHSBQVSA-N 1 2 449.552 0.269 20 0 ICADLO CON(C)S(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)cc1 ZINC001524865702 1071250236 /nfs/dbraw/zinc/25/02/36/1071250236.db2.gz IGOFRCOYLOAOLA-UHFFFAOYSA-N 1 2 427.523 0.480 20 0 ICADLO Cn1cc(I)c(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)n1 ZINC001524873264 1071250211 /nfs/dbraw/zinc/25/02/11/1071250211.db2.gz LZOGNAFQJDHZKU-UHFFFAOYSA-N 1 2 434.278 0.636 20 0 ICADLO COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001524981789 1071252187 /nfs/dbraw/zinc/25/21/87/1071252187.db2.gz BBGPPIDIKUSQEQ-UHFFFAOYSA-N 1 2 437.522 0.933 20 0 ICADLO COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2=O)c1 ZINC001525008997 1071252259 /nfs/dbraw/zinc/25/22/59/1071252259.db2.gz RPCHOTIIQILZFR-AHRSYUTCSA-N 1 2 433.505 0.805 20 0 ICADLO COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2=O)c1 ZINC001525008998 1071252345 /nfs/dbraw/zinc/25/23/45/1071252345.db2.gz RPCHOTIIQILZFR-UXPWSPDFSA-N 1 2 433.505 0.805 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC001525346946 1071259090 /nfs/dbraw/zinc/25/90/90/1071259090.db2.gz LAAFHMPQRXKARF-UHFFFAOYSA-N 1 2 439.578 0.893 20 0 ICADLO Cn1nc(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC001525393659 1071260352 /nfs/dbraw/zinc/26/03/52/1071260352.db2.gz BGWZPNGENVACHK-UHFFFAOYSA-N 1 2 442.545 0.779 20 0 ICADLO CC(C)(C)OC(=O)COCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001525393667 1071260536 /nfs/dbraw/zinc/26/05/36/1071260536.db2.gz BIMRAPVLSGBFMU-UHFFFAOYSA-N 1 2 442.538 0.008 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2cccnc2n1 ZINC001525393825 1071260455 /nfs/dbraw/zinc/26/04/55/1071260455.db2.gz CYODLTNOJSAMPL-UHFFFAOYSA-N 1 2 426.502 0.907 20 0 ICADLO CC(=O)N[C@H](CC(C)C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001525393933 1071260498 /nfs/dbraw/zinc/26/04/98/1071260498.db2.gz FIPQVERGCNQFTQ-QGZVFWFLSA-N 1 2 425.555 0.200 20 0 ICADLO Cn1cnc2cccc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)c21 ZINC001525394079 1071260412 /nfs/dbraw/zinc/26/04/12/1071260412.db2.gz GFBHDGPAGWEKCV-UHFFFAOYSA-N 1 2 428.518 0.850 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CNC(=O)c2ccccc21 ZINC001525394190 1071260371 /nfs/dbraw/zinc/26/03/71/1071260371.db2.gz GYBNTSGMYBAFNK-GOSISDBHSA-N 1 2 443.529 0.177 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CNC(=O)c2ccccc21 ZINC001525394210 1071261396 /nfs/dbraw/zinc/26/13/96/1071261396.db2.gz GYBNTSGMYBAFNK-SFHVURJKSA-N 1 2 443.529 0.177 20 0 ICADLO CNC(=O)Nc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001525394598 1071261287 /nfs/dbraw/zinc/26/12/87/1071261287.db2.gz ITLXTZOABQAMFU-UHFFFAOYSA-N 1 2 446.533 0.715 20 0 ICADLO Cn1cc(-c2ccc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)o2)cn1 ZINC001525395179 1071261243 /nfs/dbraw/zinc/26/12/43/1071261243.db2.gz MASFOAPCBXJNDG-UHFFFAOYSA-N 1 2 444.517 0.957 20 0 ICADLO CCn1ncc(Cl)c1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001525395479 1071261126 /nfs/dbraw/zinc/26/11/26/1071261126.db2.gz OHWFGAFQAHXRIH-UHFFFAOYSA-N 1 2 426.930 0.833 20 0 ICADLO COC(=O)c1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001525395588 1071261412 /nfs/dbraw/zinc/26/14/12/1071261412.db2.gz POQHSZICJCPDMH-UHFFFAOYSA-N 1 2 447.517 0.074 20 0 ICADLO Cc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c2nccn2c1 ZINC001525395941 1071261434 /nfs/dbraw/zinc/26/14/34/1071261434.db2.gz QKSLJZSMMYNAJL-UHFFFAOYSA-N 1 2 428.518 0.920 20 0 ICADLO COc1cccn2ncc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)c12 ZINC001525396322 1071261345 /nfs/dbraw/zinc/26/13/45/1071261345.db2.gz UBSMNWYEBJEYRA-UHFFFAOYSA-N 1 2 444.517 0.620 20 0 ICADLO COc1ccc(CCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001525396403 1071261058 /nfs/dbraw/zinc/26/10/58/1071261058.db2.gz UUZNRRIFGBVNNX-UHFFFAOYSA-N 1 2 433.534 0.686 20 0 ICADLO COC(=O)c1cc(C)c(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC001525396453 1071261313 /nfs/dbraw/zinc/26/13/13/1071261313.db2.gz VCTGHBXYVZBCPW-UHFFFAOYSA-N 1 2 436.490 0.651 20 0 ICADLO C[C@]1(Br)C[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001525396627 1071261362 /nfs/dbraw/zinc/26/13/62/1071261362.db2.gz WAORERMMFPCIFP-BBRMVZONSA-N 1 2 431.356 0.823 20 0 ICADLO C[C@]1(Br)C[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001525396628 1071261016 /nfs/dbraw/zinc/26/10/16/1071261016.db2.gz WAORERMMFPCIFP-CJNGLKHVSA-N 1 2 431.356 0.823 20 0 ICADLO C[C@@]1(Br)C[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001525396629 1071261210 /nfs/dbraw/zinc/26/12/10/1071261210.db2.gz WAORERMMFPCIFP-CZUORRHYSA-N 1 2 431.356 0.823 20 0 ICADLO C[C@@]1(Br)C[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001525396630 1071261188 /nfs/dbraw/zinc/26/11/88/1071261188.db2.gz WAORERMMFPCIFP-XJKSGUPXSA-N 1 2 431.356 0.823 20 0 ICADLO CCOC(=O)C1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC001525396849 1071260983 /nfs/dbraw/zinc/26/09/83/1071260983.db2.gz YWEYEOYSXDJWGK-UHFFFAOYSA-N 1 2 438.550 0.773 20 0 ICADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C[NH+]3CCOCC3)CC2)cn1C ZINC001525446944 1071262592 /nfs/dbraw/zinc/26/25/92/1071262592.db2.gz NCTINVBPHYXMGY-UHFFFAOYSA-N 1 2 427.571 0.356 20 0 ICADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC001525447555 1071262534 /nfs/dbraw/zinc/26/25/34/1071262534.db2.gz UDXVMDWNTVZGRQ-UHFFFAOYSA-N 1 2 441.550 0.557 20 0 ICADLO CCN1C(=O)CO[C@H](C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)[C@H]1c1nccn1C ZINC001525476185 1071263285 /nfs/dbraw/zinc/26/32/85/1071263285.db2.gz PDUQKZGUNSKFLP-OALUTQOASA-N 1 2 428.493 0.887 20 0 ICADLO COC(=O)c1cccn(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1=O ZINC001525748504 1071268794 /nfs/dbraw/zinc/26/87/94/1071268794.db2.gz SCEZZXDHWCHAPD-UHFFFAOYSA-N 1 2 426.473 0.854 20 0 ICADLO CN1CCn2nc(C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)cc2S1(=O)=O ZINC001525903895 1071270907 /nfs/dbraw/zinc/27/09/07/1071270907.db2.gz QKBAIKROJOIKTJ-UHFFFAOYSA-N 1 2 432.506 0.157 20 0 ICADLO COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001526170650 1071275474 /nfs/dbraw/zinc/27/54/74/1071275474.db2.gz QHAZYCKOBRRXDA-JOQOYGCGSA-N 1 2 437.468 0.935 20 0 ICADLO COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001526170651 1071275663 /nfs/dbraw/zinc/27/56/63/1071275663.db2.gz QHAZYCKOBRRXDA-SIIHOXLZSA-N 1 2 437.468 0.935 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001526286366 1071277574 /nfs/dbraw/zinc/27/75/74/1071277574.db2.gz IMEKOHOJHRGGPB-SJORKVTESA-N 1 2 440.541 0.062 20 0 ICADLO COC(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)cn2)CC1 ZINC001526545797 1071281715 /nfs/dbraw/zinc/28/17/15/1071281715.db2.gz XPRCYCKEAZWXQH-MSOLQXFVSA-N 1 2 433.509 0.788 20 0 ICADLO COCCn1cc(N2C[C@@H](C(=O)Nc3ccc(C(N)=O)cc3-n3cc[nH+]c3)CC2=O)cn1 ZINC001526657208 1071284552 /nfs/dbraw/zinc/28/45/52/1071284552.db2.gz LYHLBFAXDJYSEK-HNNXBMFYSA-N 1 2 437.460 0.806 20 0 ICADLO COCCn1cc(N2C[C@H](C(=O)Nc3ccc(C(N)=O)cc3-n3cc[nH+]c3)CC2=O)cn1 ZINC001526657209 1071284402 /nfs/dbraw/zinc/28/44/02/1071284402.db2.gz LYHLBFAXDJYSEK-OAHLLOKOSA-N 1 2 437.460 0.806 20 0 ICADLO Cc1cccc2c1O[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC001526813711 1071287980 /nfs/dbraw/zinc/28/79/80/1071287980.db2.gz BLWBOUSJFYCPIM-GOSISDBHSA-N 1 2 430.530 0.962 20 0 ICADLO Cc1cccc2c1O[C@H](C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC001526813716 1071287899 /nfs/dbraw/zinc/28/78/99/1071287899.db2.gz BLWBOUSJFYCPIM-SFHVURJKSA-N 1 2 430.530 0.962 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2n(n1)CCCC2=O ZINC001526814276 1071288149 /nfs/dbraw/zinc/28/81/49/1071288149.db2.gz HTFZMRJPONBLTI-UHFFFAOYSA-N 1 2 432.506 0.136 20 0 ICADLO CC(=O)NCc1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001526814654 1071288020 /nfs/dbraw/zinc/28/80/20/1071288020.db2.gz KJJOEVNXCZQVHI-UHFFFAOYSA-N 1 2 445.545 0.600 20 0 ICADLO CCc1ncc(Cl)c(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001526815029 1071288107 /nfs/dbraw/zinc/28/81/07/1071288107.db2.gz MOINZSGITCDJFB-UHFFFAOYSA-N 1 2 438.941 0.969 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc2c1NC(=O)CO2 ZINC001526815644 1071287949 /nfs/dbraw/zinc/28/79/49/1071287949.db2.gz UDYYMHSCRWRZAL-UHFFFAOYSA-N 1 2 445.501 0.294 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnc2n1CCCCC2 ZINC001526815715 1071287865 /nfs/dbraw/zinc/28/78/65/1071287865.db2.gz WNISWLUSEYULEP-UHFFFAOYSA-N 1 2 432.550 0.886 20 0 ICADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC001526843150 1071288706 /nfs/dbraw/zinc/28/87/06/1071288706.db2.gz MXMNKPSDEMFKBP-QRVBRYPASA-N 1 2 429.583 0.719 20 0 ICADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC001526843152 1071288789 /nfs/dbraw/zinc/28/87/89/1071288789.db2.gz MXMNKPSDEMFKBP-QYZOEREBSA-N 1 2 429.583 0.719 20 0 ICADLO NC(=O)[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1cccc(Br)c1 ZINC001527243914 1071295507 /nfs/dbraw/zinc/29/55/07/1071295507.db2.gz OVEMNPAMZRIJNE-OWCLPIDISA-N 1 2 426.311 0.972 20 0 ICADLO NC(=O)[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1cccc(Br)c1 ZINC001527243915 1071295648 /nfs/dbraw/zinc/29/56/48/1071295648.db2.gz OVEMNPAMZRIJNE-PMPSAXMXSA-N 1 2 426.311 0.972 20 0 ICADLO NC(=O)c1ncn(CC(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)n1 ZINC001527280410 1071296476 /nfs/dbraw/zinc/29/64/76/1071296476.db2.gz OXEDJFOWURZNFY-UHFFFAOYSA-N 1 2 438.467 0.554 20 0 ICADLO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC001527795540 1071303878 /nfs/dbraw/zinc/30/38/78/1071303878.db2.gz UWRRNHDTTHJKBX-UHFFFAOYSA-N 1 2 435.550 0.727 20 0 ICADLO COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC001528213753 1071310162 /nfs/dbraw/zinc/31/01/62/1071310162.db2.gz SXOTVCUHXNXAQA-UHFFFAOYSA-N 1 2 434.518 0.966 20 0 ICADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC001528265952 1071312035 /nfs/dbraw/zinc/31/20/35/1071312035.db2.gz MHDQVOGJKHOVSG-UHFFFAOYSA-N 1 2 448.383 0.842 20 0 ICADLO CON(C)S(=O)(=O)c1cccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC001528280666 1071312657 /nfs/dbraw/zinc/31/26/57/1071312657.db2.gz BTECPLYMOURNKE-UHFFFAOYSA-N 1 2 427.523 0.480 20 0 ICADLO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)o1 ZINC001528282914 1071312612 /nfs/dbraw/zinc/31/26/12/1071312612.db2.gz VGSOTEAOEQILNS-UHFFFAOYSA-N 1 2 429.539 0.968 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC001528440413 1071314323 /nfs/dbraw/zinc/31/43/23/1071314323.db2.gz QNSLXFJNNLJMAA-UHFFFAOYSA-N 1 2 429.539 0.365 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC001528441388 1071314472 /nfs/dbraw/zinc/31/44/72/1071314472.db2.gz WZPDOFYZUINHEZ-UHFFFAOYSA-N 1 2 437.518 0.413 20 0 ICADLO COc1cccc(CC(=O)N2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2)c1 ZINC001528596353 1071317665 /nfs/dbraw/zinc/31/76/65/1071317665.db2.gz HXCMMDUHMHSPBL-RTWAWAEBSA-N 1 2 431.533 0.788 20 0 ICADLO CN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC001528682142 1071318215 /nfs/dbraw/zinc/31/82/15/1071318215.db2.gz URENHZDDBAKNPO-UHFFFAOYSA-N 1 2 425.551 0.890 20 0 ICADLO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001528722063 1071318916 /nfs/dbraw/zinc/31/89/16/1071318916.db2.gz QCZKYKXIBUSMPT-XLIONFOSSA-N 1 2 433.505 0.986 20 0 ICADLO COC(=O)CN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)cc2)CC1 ZINC001528919095 1071321635 /nfs/dbraw/zinc/32/16/35/1071321635.db2.gz YNACTWWFVOZBAO-RTWAWAEBSA-N 1 2 446.548 0.800 20 0 ICADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)cc2Br)CC1 ZINC001529184310 1071325288 /nfs/dbraw/zinc/32/52/88/1071325288.db2.gz CJSLDIUXZMSNTD-ZDUSSCGKSA-N 1 2 445.339 0.053 20 0 ICADLO COC1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CS(=O)(=O)C1 ZINC001529185975 1071325099 /nfs/dbraw/zinc/32/50/99/1071325099.db2.gz VHAJBGMQIZKDPV-UHFFFAOYSA-N 1 2 432.340 0.953 20 0 ICADLO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(NS(C)(=O)=O)nc3)CC2)CC1 ZINC001529267120 1071326969 /nfs/dbraw/zinc/32/69/69/1071326969.db2.gz JYJQAMBQCDYEII-UHFFFAOYSA-N 1 2 437.566 0.860 20 0 ICADLO CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1=O ZINC001529439447 1071328591 /nfs/dbraw/zinc/32/85/91/1071328591.db2.gz YSVZFNCSXVAYRP-KRWDZBQOSA-N 1 2 435.525 0.734 20 0 ICADLO CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1=O ZINC001529439449 1071328669 /nfs/dbraw/zinc/32/86/69/1071328669.db2.gz YSVZFNCSXVAYRP-QGZVFWFLSA-N 1 2 435.525 0.734 20 0 ICADLO Cn1c2sc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2c(=O)n(C)c1=O ZINC001529570405 1071331425 /nfs/dbraw/zinc/33/14/25/1071331425.db2.gz OLTAUFPSZBYTMV-HNNXBMFYSA-N 1 2 428.514 0.930 20 0 ICADLO Cn1c2sc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc2c(=O)n(C)c1=O ZINC001529570405 1071331418 /nfs/dbraw/zinc/33/14/18/1071331418.db2.gz OLTAUFPSZBYTMV-HNNXBMFYSA-N 1 2 428.514 0.930 20 0 ICADLO Cn1c2sc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2c(=O)n(C)c1=O ZINC001529570406 1071331326 /nfs/dbraw/zinc/33/13/26/1071331326.db2.gz OLTAUFPSZBYTMV-OAHLLOKOSA-N 1 2 428.514 0.930 20 0 ICADLO Cn1c2sc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc2c(=O)n(C)c1=O ZINC001529570406 1071331313 /nfs/dbraw/zinc/33/13/13/1071331313.db2.gz OLTAUFPSZBYTMV-OAHLLOKOSA-N 1 2 428.514 0.930 20 0 ICADLO CN1C(=O)C(=O)N(CC(=O)N(CCCn2cc[nH+]c2)c2ccc(Br)cn2)C1=O ZINC001529812207 1071335081 /nfs/dbraw/zinc/33/50/81/1071335081.db2.gz RICUKVYANUMFRE-UHFFFAOYSA-N 1 2 449.265 0.885 20 0 ICADLO COC(=O)CN(CCN1CCOCC1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC001530244729 1071340993 /nfs/dbraw/zinc/34/09/93/1071340993.db2.gz BBAGRJYXWATGKS-UHFFFAOYSA-N 1 2 443.504 0.859 20 0 ICADLO CCOC1CC(CNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)([NH+]2CCOCC2)C1 ZINC001531064579 1071353896 /nfs/dbraw/zinc/35/38/96/1071353896.db2.gz OXPLEEIOPLLIPD-TUAABQIMSA-N 1 2 430.505 0.513 20 0 ICADLO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001531592136 1071363893 /nfs/dbraw/zinc/36/38/93/1071363893.db2.gz DFTYMFHOLWVQGP-CABCVRRESA-N 1 2 425.498 0.247 20 0 ICADLO CN(C)S(=O)(=O)c1cc(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)n(C)c1 ZINC001532302074 1071379395 /nfs/dbraw/zinc/37/93/95/1071379395.db2.gz PZNJVCAQQUDJKG-UHFFFAOYSA-N 1 2 428.555 0.811 20 0 ICADLO COCCn1cc(N2C[C@@H](C(=O)NC3CC[NH+](CC(=O)OC(C)(C)C)CC3)CC2=O)cn1 ZINC001532312646 1071380151 /nfs/dbraw/zinc/38/01/51/1071380151.db2.gz DOXHYWDRKBPXSS-INIZCTEOSA-N 1 2 449.552 0.805 20 0 ICADLO COCCn1cc(N2C[C@H](C(=O)NC3CC[NH+](CC(=O)OC(C)(C)C)CC3)CC2=O)cn1 ZINC001532312651 1071380015 /nfs/dbraw/zinc/38/00/15/1071380015.db2.gz DOXHYWDRKBPXSS-MRXNPFEDSA-N 1 2 449.552 0.805 20 0 ICADLO O=C(C[NH+]1CCC(NC(=O)CC2(n3cnnn3)CCOCC2)CC1)Nc1ccccc1 ZINC001532365882 1071381396 /nfs/dbraw/zinc/38/13/96/1071381396.db2.gz MSIMZNFIIROLDA-UHFFFAOYSA-N 1 2 427.509 0.788 20 0 ICADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001532368751 1071381584 /nfs/dbraw/zinc/38/15/84/1071381584.db2.gz FVPMWJLAXWEKHK-IBGZPJMESA-N 1 2 428.514 0.724 20 0 ICADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001532368751 1071381572 /nfs/dbraw/zinc/38/15/72/1071381572.db2.gz FVPMWJLAXWEKHK-IBGZPJMESA-N 1 2 428.514 0.724 20 0 ICADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001532368753 1071381245 /nfs/dbraw/zinc/38/12/45/1071381245.db2.gz FVPMWJLAXWEKHK-LJQANCHMSA-N 1 2 428.514 0.724 20 0 ICADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001532368753 1071381237 /nfs/dbraw/zinc/38/12/37/1071381237.db2.gz FVPMWJLAXWEKHK-LJQANCHMSA-N 1 2 428.514 0.724 20 0 ICADLO O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001532433858 1071383452 /nfs/dbraw/zinc/38/34/52/1071383452.db2.gz BNDVSVPIVZPJSU-CVEARBPZSA-N 1 2 431.415 0.308 20 0 ICADLO O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001532433858 1071383442 /nfs/dbraw/zinc/38/34/42/1071383442.db2.gz BNDVSVPIVZPJSU-CVEARBPZSA-N 1 2 431.415 0.308 20 0 ICADLO O=C([C@H]1CNC(=O)C[C@@H]1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001532434581 1071383521 /nfs/dbraw/zinc/38/35/21/1071383521.db2.gz KMXUUGGEJVQSKU-KBPBESRZSA-N 1 2 442.442 0.276 20 0 ICADLO O=C([C@H]1CNC(=O)C[C@@H]1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001532434581 1071383507 /nfs/dbraw/zinc/38/35/07/1071383507.db2.gz KMXUUGGEJVQSKU-KBPBESRZSA-N 1 2 442.442 0.276 20 0 ICADLO O=C([C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001532434582 1071383623 /nfs/dbraw/zinc/38/36/23/1071383623.db2.gz KMXUUGGEJVQSKU-KGLIPLIRSA-N 1 2 442.442 0.276 20 0 ICADLO O=C([C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001532434582 1071383609 /nfs/dbraw/zinc/38/36/09/1071383609.db2.gz KMXUUGGEJVQSKU-KGLIPLIRSA-N 1 2 442.442 0.276 20 0 ICADLO O=C([C@H]1CNC(=O)C[C@H]1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001532434583 1071383385 /nfs/dbraw/zinc/38/33/85/1071383385.db2.gz KMXUUGGEJVQSKU-UONOGXRCSA-N 1 2 442.442 0.276 20 0 ICADLO O=C([C@H]1CNC(=O)C[C@H]1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001532434583 1071383382 /nfs/dbraw/zinc/38/33/82/1071383382.db2.gz KMXUUGGEJVQSKU-UONOGXRCSA-N 1 2 442.442 0.276 20 0 ICADLO O=C([C@@H]1CNC(=O)C[C@H]1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001532434584 1071383419 /nfs/dbraw/zinc/38/34/19/1071383419.db2.gz KMXUUGGEJVQSKU-ZIAGYGMSSA-N 1 2 442.442 0.276 20 0 ICADLO O=C([C@@H]1CNC(=O)C[C@H]1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001532434584 1071383410 /nfs/dbraw/zinc/38/34/10/1071383410.db2.gz KMXUUGGEJVQSKU-ZIAGYGMSSA-N 1 2 442.442 0.276 20 0 ICADLO COc1ccn2c(c1)ncc2C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001533796851 1071406097 /nfs/dbraw/zinc/40/60/97/1071406097.db2.gz CRKRMYFYFVGNFB-UHFFFAOYSA-N 1 2 444.517 0.620 20 0 ICADLO CO[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001533796876 1071405953 /nfs/dbraw/zinc/40/59/53/1071405953.db2.gz DQWVEFUVIFZCGO-INIZCTEOSA-N 1 2 442.538 0.006 20 0 ICADLO CO[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001533796877 1071406172 /nfs/dbraw/zinc/40/61/72/1071406172.db2.gz DQWVEFUVIFZCGO-MRXNPFEDSA-N 1 2 442.538 0.006 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2cnccc2n1 ZINC001533797107 1071406188 /nfs/dbraw/zinc/40/61/88/1071406188.db2.gz IDQYRMHSRHFQOK-UHFFFAOYSA-N 1 2 426.502 0.907 20 0 ICADLO COC(=O)/C=C/c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC001533797420 1071406120 /nfs/dbraw/zinc/40/61/20/1071406120.db2.gz PPNXSHXOKPRQBP-SOFGYWHQSA-N 1 2 448.501 0.743 20 0 ICADLO COC(=O)/C=C\c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC001533797421 1071405993 /nfs/dbraw/zinc/40/59/93/1071405993.db2.gz PPNXSHXOKPRQBP-VURMDHGXSA-N 1 2 448.501 0.743 20 0 ICADLO C[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001533797427 1071406142 /nfs/dbraw/zinc/40/61/42/1071406142.db2.gz PSVLBZSDXHNGHI-HNNXBMFYSA-N 1 2 426.539 0.627 20 0 ICADLO C[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001533797428 1071406054 /nfs/dbraw/zinc/40/60/54/1071406054.db2.gz PSVLBZSDXHNGHI-OAHLLOKOSA-N 1 2 426.539 0.627 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1nncc2ccccc21 ZINC001533797547 1071406272 /nfs/dbraw/zinc/40/62/72/1071406272.db2.gz RFSWBWWSLRUNRH-UHFFFAOYSA-N 1 2 426.502 0.907 20 0 ICADLO C[C@@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)COc2ccccc2O1 ZINC001533798133 1071406254 /nfs/dbraw/zinc/40/62/54/1071406254.db2.gz WWNUHFXTLKZTEG-NRFANRHFSA-N 1 2 446.529 0.880 20 0 ICADLO C[C@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)COc2ccccc2O1 ZINC001533798134 1071407167 /nfs/dbraw/zinc/40/71/67/1071407167.db2.gz WWNUHFXTLKZTEG-OAQYLSRUSA-N 1 2 446.529 0.880 20 0 ICADLO COC(=O)c1ccc(/C=C/C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC001533798172 1071407202 /nfs/dbraw/zinc/40/72/02/1071407202.db2.gz XXGPWGBZZXGBNP-SOFGYWHQSA-N 1 2 448.501 0.743 20 0 ICADLO COC(=O)c1ccc(/C=C\C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC001533798173 1071407109 /nfs/dbraw/zinc/40/71/09/1071407109.db2.gz XXGPWGBZZXGBNP-VURMDHGXSA-N 1 2 448.501 0.743 20 0 ICADLO Cc1ccn2cnc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC001533798235 1071407130 /nfs/dbraw/zinc/40/71/30/1071407130.db2.gz ZCFPZAQUPFIEGQ-UHFFFAOYSA-N 1 2 428.518 0.920 20 0 ICADLO O=C(Cn1ccc(C(F)F)n1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001533798320 1071407193 /nfs/dbraw/zinc/40/71/93/1071407193.db2.gz ZTKZQAWNNXZMBG-UHFFFAOYSA-N 1 2 428.465 0.484 20 0 ICADLO CCNC(=O)COc1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1OC ZINC001533956028 1071409726 /nfs/dbraw/zinc/40/97/26/1071409726.db2.gz SDXOGSPYMRZRAE-MJGOQNOKSA-N 1 2 435.521 0.706 20 0 ICADLO COc1cccc(C[NH+]2CCN(C(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)CC2)c1 ZINC001534168559 1071414675 /nfs/dbraw/zinc/41/46/75/1071414675.db2.gz GRBJHPIXGXCFQL-UHFFFAOYSA-N 1 2 425.489 0.542 20 0 ICADLO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001534476140 1071425445 /nfs/dbraw/zinc/42/54/45/1071425445.db2.gz AWALIUYQJWFQAS-SUMDDJOVSA-N 1 2 425.551 0.994 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001534476142 1071425498 /nfs/dbraw/zinc/42/54/98/1071425498.db2.gz AWALIUYQJWFQAS-WDYCEAGBSA-N 1 2 425.551 0.994 20 0 ICADLO CN(C)S(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC001534521053 1071429111 /nfs/dbraw/zinc/42/91/11/1071429111.db2.gz HBSZTUBTFLCJLA-MOPGFXCFSA-N 1 2 425.551 0.574 20 0 ICADLO CN1C(=O)C(=O)N(CC(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)C1=O ZINC001534615437 1071432982 /nfs/dbraw/zinc/43/29/82/1071432982.db2.gz FFPWPROPNWIKFA-UHFFFAOYSA-N 1 2 446.464 0.498 20 0 ICADLO COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2)c(OC)c1 ZINC001534801439 1071439120 /nfs/dbraw/zinc/43/91/20/1071439120.db2.gz FYUKVLGMMGPKCP-QUCCMNQESA-N 1 2 447.532 0.868 20 0 ICADLO CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)nc1 ZINC001534810381 1071439879 /nfs/dbraw/zinc/43/98/79/1071439879.db2.gz FEJVQDOGBWVBHS-ZBFHGGJFSA-N 1 2 426.539 0.977 20 0 ICADLO CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001535158068 1071447809 /nfs/dbraw/zinc/44/78/09/1071447809.db2.gz KHRBKPKKMDIONH-WBVHZDCISA-N 1 2 435.477 0.416 20 0 ICADLO C[NH+](C)Cc1csc(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 ZINC001535201591 1071448454 /nfs/dbraw/zinc/44/84/54/1071448454.db2.gz MYICXFHAQXTYCD-UHFFFAOYSA-N 1 2 437.547 0.255 20 0 ICADLO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCCc3cn(C)c[nH+]3)ccc2F)CC1 ZINC001535317099 1071452669 /nfs/dbraw/zinc/45/26/69/1071452669.db2.gz VIJWCIDDEULDFR-UHFFFAOYSA-N 1 2 437.497 0.385 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C2)c1 ZINC001535343360 1071455153 /nfs/dbraw/zinc/45/51/53/1071455153.db2.gz ABPHBGOOEFJNSY-GOSISDBHSA-N 1 2 437.500 0.571 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C2)c1 ZINC001535343360 1071455151 /nfs/dbraw/zinc/45/51/51/1071455151.db2.gz ABPHBGOOEFJNSY-GOSISDBHSA-N 1 2 437.500 0.571 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C2)c1 ZINC001535343361 1071455127 /nfs/dbraw/zinc/45/51/27/1071455127.db2.gz ABPHBGOOEFJNSY-SFHVURJKSA-N 1 2 437.500 0.571 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)C2)c1 ZINC001535343361 1071455123 /nfs/dbraw/zinc/45/51/23/1071455123.db2.gz ABPHBGOOEFJNSY-SFHVURJKSA-N 1 2 437.500 0.571 20 0 ICADLO CCN1C(=O)CO[C@H](C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)[C@H]1c1nccn1C ZINC001535344418 1071455267 /nfs/dbraw/zinc/45/52/67/1071455267.db2.gz ZCKAZBFHWGVGNV-OALUTQOASA-N 1 2 449.552 0.631 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC001535355222 1071455214 /nfs/dbraw/zinc/45/52/14/1071455214.db2.gz YZSOMIVGKUYWIN-KRWDZBQOSA-N 1 2 437.500 0.571 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC001535355222 1071455204 /nfs/dbraw/zinc/45/52/04/1071455204.db2.gz YZSOMIVGKUYWIN-KRWDZBQOSA-N 1 2 437.500 0.571 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC001535355223 1071455104 /nfs/dbraw/zinc/45/51/04/1071455104.db2.gz YZSOMIVGKUYWIN-QGZVFWFLSA-N 1 2 437.500 0.571 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)cc1 ZINC001535355223 1071455101 /nfs/dbraw/zinc/45/51/01/1071455101.db2.gz YZSOMIVGKUYWIN-QGZVFWFLSA-N 1 2 437.500 0.571 20 0 ICADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001535355975 1071455082 /nfs/dbraw/zinc/45/50/82/1071455082.db2.gz FGTANOOPTICHIR-UHFFFAOYSA-N 1 2 427.523 0.675 20 0 ICADLO CC(C)NS(=O)(=O)c1cccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC001535356043 1071455092 /nfs/dbraw/zinc/45/50/92/1071455092.db2.gz GWPKVNUUQYWJAK-UHFFFAOYSA-N 1 2 425.551 0.985 20 0 ICADLO CCN1C(=O)c2ccc(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)cc2S1(=O)=O ZINC001535356303 1071455235 /nfs/dbraw/zinc/45/52/35/1071455235.db2.gz NFOYBGSFQYUOJL-UHFFFAOYSA-N 1 2 437.518 0.462 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)C2)cc1 ZINC001535584089 1071461822 /nfs/dbraw/zinc/46/18/22/1071461822.db2.gz XNZRTLHOOJPQNH-KRWDZBQOSA-N 1 2 433.534 0.456 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)C2)cc1 ZINC001535584089 1071461820 /nfs/dbraw/zinc/46/18/20/1071461820.db2.gz XNZRTLHOOJPQNH-KRWDZBQOSA-N 1 2 433.534 0.456 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)C2)cc1 ZINC001535584092 1071462029 /nfs/dbraw/zinc/46/20/29/1071462029.db2.gz XNZRTLHOOJPQNH-QGZVFWFLSA-N 1 2 433.534 0.456 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)C2)cc1 ZINC001535584092 1071462024 /nfs/dbraw/zinc/46/20/24/1071462024.db2.gz XNZRTLHOOJPQNH-QGZVFWFLSA-N 1 2 433.534 0.456 20 0 ICADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001535821298 1071464942 /nfs/dbraw/zinc/46/49/42/1071464942.db2.gz KPQQMLSDJGLQJH-HNNXBMFYSA-N 1 2 437.543 0.909 20 0 ICADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001535821299 1071464873 /nfs/dbraw/zinc/46/48/73/1071464873.db2.gz KPQQMLSDJGLQJH-OAHLLOKOSA-N 1 2 437.543 0.909 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)CC1 ZINC001535969054 1071467971 /nfs/dbraw/zinc/46/79/71/1071467971.db2.gz IWBBUAMVQGCZBG-UHFFFAOYSA-N 1 2 437.541 0.065 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC1 ZINC001535969165 1071468055 /nfs/dbraw/zinc/46/80/55/1071468055.db2.gz JWXBCWZOHVJRFE-HNNXBMFYSA-N 1 2 425.551 0.816 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC1 ZINC001535969167 1071467805 /nfs/dbraw/zinc/46/78/05/1071467805.db2.gz JWXBCWZOHVJRFE-OAHLLOKOSA-N 1 2 425.551 0.816 20 0 ICADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH+](C(COC)COC)CC2)n(C)c1 ZINC001535969209 1071467874 /nfs/dbraw/zinc/46/78/74/1071467874.db2.gz KECRSODUOFCPKC-UHFFFAOYSA-N 1 2 430.571 0.475 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001535969468 1071467826 /nfs/dbraw/zinc/46/78/26/1071467826.db2.gz LYMKSDZNIBJSQH-UHFFFAOYSA-N 1 2 441.550 0.127 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)CC1 ZINC001535969531 1071468065 /nfs/dbraw/zinc/46/80/65/1071468065.db2.gz NKNFKHDCKNAUQD-UHFFFAOYSA-N 1 2 431.530 0.932 20 0 ICADLO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001536010735 1071468792 /nfs/dbraw/zinc/46/87/92/1071468792.db2.gz DIJCRMBORQQNHR-IRXDYDNUSA-N 1 2 431.518 0.490 20 0 ICADLO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001536010735 1071468789 /nfs/dbraw/zinc/46/87/89/1071468789.db2.gz DIJCRMBORQQNHR-IRXDYDNUSA-N 1 2 431.518 0.490 20 0 ICADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001536010736 1071468702 /nfs/dbraw/zinc/46/87/02/1071468702.db2.gz DIJCRMBORQQNHR-SJORKVTESA-N 1 2 431.518 0.490 20 0 ICADLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001536010736 1071468699 /nfs/dbraw/zinc/46/86/99/1071468699.db2.gz DIJCRMBORQQNHR-SJORKVTESA-N 1 2 431.518 0.490 20 0 ICADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC001536201026 1071470366 /nfs/dbraw/zinc/47/03/66/1071470366.db2.gz XJPHJPSCOMEAIA-UHFFFAOYSA-N 1 2 429.514 0.687 20 0 ICADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001536265753 1071471129 /nfs/dbraw/zinc/47/11/29/1071471129.db2.gz QWPUZGFAFPXOLW-INIZCTEOSA-N 1 2 444.575 0.488 20 0 ICADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001536265753 1071471124 /nfs/dbraw/zinc/47/11/24/1071471124.db2.gz QWPUZGFAFPXOLW-INIZCTEOSA-N 1 2 444.575 0.488 20 0 ICADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001536265754 1071471113 /nfs/dbraw/zinc/47/11/13/1071471113.db2.gz QWPUZGFAFPXOLW-MRXNPFEDSA-N 1 2 444.575 0.488 20 0 ICADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001536265754 1071471105 /nfs/dbraw/zinc/47/11/05/1071471105.db2.gz QWPUZGFAFPXOLW-MRXNPFEDSA-N 1 2 444.575 0.488 20 0 ICADLO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001536274701 1071471058 /nfs/dbraw/zinc/47/10/58/1071471058.db2.gz UYCYSEFWEMJDAX-WBVHZDCISA-N 1 2 431.942 0.614 20 0 ICADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)c2ccc(Cl)cc2)C1 ZINC001537460055 1071501325 /nfs/dbraw/zinc/50/13/25/1071501325.db2.gz KPJKVWMMLQGHHU-BHYGNILZSA-N 1 2 434.884 0.842 20 0 ICADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)c2ccc(Cl)cc2)C1 ZINC001537460055 1071501314 /nfs/dbraw/zinc/50/13/14/1071501314.db2.gz KPJKVWMMLQGHHU-BHYGNILZSA-N 1 2 434.884 0.842 20 0 ICADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c2ccc(Cl)cc2)C1 ZINC001537460058 1071501391 /nfs/dbraw/zinc/50/13/91/1071501391.db2.gz KPJKVWMMLQGHHU-HYVNUMGLSA-N 1 2 434.884 0.842 20 0 ICADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c2ccc(Cl)cc2)C1 ZINC001537460058 1071501386 /nfs/dbraw/zinc/50/13/86/1071501386.db2.gz KPJKVWMMLQGHHU-HYVNUMGLSA-N 1 2 434.884 0.842 20 0 ICADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c2ccc(Cl)cc2)C1 ZINC001537460059 1071501203 /nfs/dbraw/zinc/50/12/03/1071501203.db2.gz KPJKVWMMLQGHHU-PVAVHDDUSA-N 1 2 434.884 0.842 20 0 ICADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c2ccc(Cl)cc2)C1 ZINC001537460059 1071501195 /nfs/dbraw/zinc/50/11/95/1071501195.db2.gz KPJKVWMMLQGHHU-PVAVHDDUSA-N 1 2 434.884 0.842 20 0 ICADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)c2ccc(Cl)cc2)C1 ZINC001537460061 1071501179 /nfs/dbraw/zinc/50/11/79/1071501179.db2.gz KPJKVWMMLQGHHU-XIRDDKMYSA-N 1 2 434.884 0.842 20 0 ICADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)c2ccc(Cl)cc2)C1 ZINC001537460061 1071501167 /nfs/dbraw/zinc/50/11/67/1071501167.db2.gz KPJKVWMMLQGHHU-XIRDDKMYSA-N 1 2 434.884 0.842 20 0 ICADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC001537488521 1071503244 /nfs/dbraw/zinc/50/32/44/1071503244.db2.gz NZOIAYUAJZMBGO-FQEVSTJZSA-N 1 2 432.502 0.942 20 0 ICADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC001537488524 1071503079 /nfs/dbraw/zinc/50/30/79/1071503079.db2.gz NZOIAYUAJZMBGO-HXUWFJFHSA-N 1 2 432.502 0.942 20 0 ICADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3nc(C[NH+](C)C)cs3)CC2)cn1C ZINC001538169632 1071525181 /nfs/dbraw/zinc/52/51/81/1071525181.db2.gz NAAIKYOLZSQLJA-UHFFFAOYSA-N 1 2 440.595 0.964 20 0 ICADLO COCCN1C(=O)c2ccc(C(=O)NCc3nc(C[NH+](C)C)cs3)cc2S1(=O)=O ZINC001538170537 1071525373 /nfs/dbraw/zinc/52/53/73/1071525373.db2.gz YVIWRSQVNDUVEH-UHFFFAOYSA-N 1 2 438.531 0.926 20 0 ICADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC001538712741 1071546784 /nfs/dbraw/zinc/54/67/84/1071546784.db2.gz RDCZTLXMTDYZPL-UHFFFAOYSA-N 1 2 434.356 0.945 20 0 ICADLO CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001538893712 1071552053 /nfs/dbraw/zinc/55/20/53/1071552053.db2.gz LBZNPJGIGUIZPQ-FUHIMQAGSA-N 1 2 448.568 0.203 20 0 ICADLO CC(C)[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001538893713 1071551865 /nfs/dbraw/zinc/55/18/65/1071551865.db2.gz LBZNPJGIGUIZPQ-UWVAXJGDSA-N 1 2 448.568 0.203 20 0 ICADLO CN(C)C(=O)C1CCC(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC001538924448 1071553903 /nfs/dbraw/zinc/55/39/03/1071553903.db2.gz OTQBTCGRMSJVFS-UHFFFAOYSA-N 1 2 430.553 0.856 20 0 ICADLO CN(C)C(=O)C1CCC(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC001538924448 1071553892 /nfs/dbraw/zinc/55/38/92/1071553892.db2.gz OTQBTCGRMSJVFS-UHFFFAOYSA-N 1 2 430.553 0.856 20 0 ICADLO Cn1nc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1Br ZINC001538924544 1071553765 /nfs/dbraw/zinc/55/37/65/1071553765.db2.gz QKIPHDHKMSVMNK-UHFFFAOYSA-N 1 2 436.314 0.772 20 0 ICADLO Cn1nc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1Br ZINC001538924544 1071553748 /nfs/dbraw/zinc/55/37/48/1071553748.db2.gz QKIPHDHKMSVMNK-UHFFFAOYSA-N 1 2 436.314 0.772 20 0 ICADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 ZINC001539102391 1071561966 /nfs/dbraw/zinc/56/19/66/1071561966.db2.gz BAMIPZZXNLQFLB-SFHVURJKSA-N 1 2 430.480 0.973 20 0 ICADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC001539104032 1071562009 /nfs/dbraw/zinc/56/20/09/1071562009.db2.gz UABLYQODGRKYNF-NJDAHSKKSA-N 1 2 441.532 0.572 20 0 ICADLO O=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001539122825 1071563551 /nfs/dbraw/zinc/56/35/51/1071563551.db2.gz WTHPEXRGFABMMD-APWZRJJASA-N 1 2 441.525 0.862 20 0 ICADLO Cc1cc(N2CCN(C(=O)[C@H]3[C@@H](O)C(=O)N(C)[C@@H]3c3cnn(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC001539292918 1071582315 /nfs/dbraw/zinc/58/23/15/1071582315.db2.gz BHAWWXSERJWDKL-GUDVDZBRSA-N 1 2 441.536 0.481 20 0 ICADLO C[NH+](C)CC(=O)N1CCN(C(=O)c2cn[nH]c2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001539704816 1071610001 /nfs/dbraw/zinc/61/00/01/1071610001.db2.gz CTSRJXZOMNKJPO-HNNXBMFYSA-N 1 2 434.541 0.980 20 0 ICADLO C[NH+](C)CC(=O)N1CCN(C(=O)c2cn[nH]c2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001539704819 1071610081 /nfs/dbraw/zinc/61/00/81/1071610081.db2.gz CTSRJXZOMNKJPO-OAHLLOKOSA-N 1 2 434.541 0.980 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC001539713152 1071611252 /nfs/dbraw/zinc/61/12/52/1071611252.db2.gz MXSUWZGCRTUYTE-UHFFFAOYSA-N 1 2 436.314 0.709 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC001539713152 1071611251 /nfs/dbraw/zinc/61/12/51/1071611251.db2.gz MXSUWZGCRTUYTE-UHFFFAOYSA-N 1 2 436.314 0.709 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)CC1 ZINC001539713174 1071611230 /nfs/dbraw/zinc/61/12/30/1071611230.db2.gz NPTVALVLMQVMKK-AWEZNQCLSA-N 1 2 427.596 0.712 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)CC1 ZINC001539713174 1071611228 /nfs/dbraw/zinc/61/12/28/1071611228.db2.gz NPTVALVLMQVMKK-AWEZNQCLSA-N 1 2 427.596 0.712 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)CC1 ZINC001539713175 1071611190 /nfs/dbraw/zinc/61/11/90/1071611190.db2.gz NPTVALVLMQVMKK-CQSZACIVSA-N 1 2 427.596 0.712 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)CC1 ZINC001539713175 1071611185 /nfs/dbraw/zinc/61/11/85/1071611185.db2.gz NPTVALVLMQVMKK-CQSZACIVSA-N 1 2 427.596 0.712 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001539713617 1071611153 /nfs/dbraw/zinc/61/11/53/1071611153.db2.gz QWSSDHZDBPVWKD-UHFFFAOYSA-N 1 2 436.578 0.830 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001539713617 1071611150 /nfs/dbraw/zinc/61/11/50/1071611150.db2.gz QWSSDHZDBPVWKD-UHFFFAOYSA-N 1 2 436.578 0.830 20 0 ICADLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001539729000 1071612808 /nfs/dbraw/zinc/61/28/08/1071612808.db2.gz MPMNRVKQHQKYBN-UHFFFAOYSA-N 1 2 448.549 0.117 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC001540060347 1071624476 /nfs/dbraw/zinc/62/44/76/1071624476.db2.gz VRUNCMWDKLAYIH-UHFFFAOYSA-N 1 2 432.282 0.636 20 0 ICADLO O=C(c1cccn1CC[NH+]1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001540159168 1071627786 /nfs/dbraw/zinc/62/77/86/1071627786.db2.gz HVRLUIWYZQQHCK-UHFFFAOYSA-N 1 2 432.546 0.967 20 0 ICADLO O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001540316378 1071633446 /nfs/dbraw/zinc/63/34/46/1071633446.db2.gz VVAFNARGVBPXQF-INIZCTEOSA-N 1 2 434.884 0.877 20 0 ICADLO O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001540316379 1071633290 /nfs/dbraw/zinc/63/32/90/1071633290.db2.gz VVAFNARGVBPXQF-MRXNPFEDSA-N 1 2 434.884 0.877 20 0 ICADLO NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC001540419997 1071638521 /nfs/dbraw/zinc/63/85/21/1071638521.db2.gz CABZCELFZJALQA-HNNXBMFYSA-N 1 2 431.518 0.970 20 0 ICADLO NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC001540419998 1071638709 /nfs/dbraw/zinc/63/87/09/1071638709.db2.gz CABZCELFZJALQA-OAHLLOKOSA-N 1 2 431.518 0.970 20 0 ICADLO COc1ccc(NC(=O)/C=C(\C)C[NH+]2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC001540466193 1071642173 /nfs/dbraw/zinc/64/21/73/1071642173.db2.gz BQDZDDRFDQOQCD-DTQAZKPQSA-N 1 2 439.534 0.933 20 0 ICADLO COc1ccc(NC(=O)/C=C(/C)C[NH+]2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC001540466194 1071642123 /nfs/dbraw/zinc/64/21/23/1071642123.db2.gz BQDZDDRFDQOQCD-SSZFMOIBSA-N 1 2 439.534 0.933 20 0 ICADLO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1=O ZINC001540520590 1071646645 /nfs/dbraw/zinc/64/66/45/1071646645.db2.gz AHAIGUDZCWFCNV-FGSXEWAUSA-N 1 2 430.505 0.841 20 0 ICADLO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1=O ZINC001540520591 1071646706 /nfs/dbraw/zinc/64/67/06/1071646706.db2.gz AHAIGUDZCWFCNV-KGVIQGDOSA-N 1 2 430.505 0.841 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001540532878 1071647656 /nfs/dbraw/zinc/64/76/56/1071647656.db2.gz DLHJHNLAYSKFDS-NRFANRHFSA-N 1 2 426.558 0.809 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001540532878 1071647651 /nfs/dbraw/zinc/64/76/51/1071647651.db2.gz DLHJHNLAYSKFDS-NRFANRHFSA-N 1 2 426.558 0.809 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001540532879 1071648504 /nfs/dbraw/zinc/64/85/04/1071648504.db2.gz DLHJHNLAYSKFDS-OAQYLSRUSA-N 1 2 426.558 0.809 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001540532879 1071648499 /nfs/dbraw/zinc/64/84/99/1071648499.db2.gz DLHJHNLAYSKFDS-OAQYLSRUSA-N 1 2 426.558 0.809 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001540532950 1071648524 /nfs/dbraw/zinc/64/85/24/1071648524.db2.gz GQEHRRXIGNCDOC-AUSIDOKSSA-N 1 2 446.548 0.819 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001540532950 1071648519 /nfs/dbraw/zinc/64/85/19/1071648519.db2.gz GQEHRRXIGNCDOC-AUSIDOKSSA-N 1 2 446.548 0.819 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001540532951 1071648412 /nfs/dbraw/zinc/64/84/12/1071648412.db2.gz GQEHRRXIGNCDOC-CVDCTZTESA-N 1 2 446.548 0.819 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001540532951 1071648407 /nfs/dbraw/zinc/64/84/07/1071648407.db2.gz GQEHRRXIGNCDOC-CVDCTZTESA-N 1 2 446.548 0.819 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001540532952 1071648489 /nfs/dbraw/zinc/64/84/89/1071648489.db2.gz GQEHRRXIGNCDOC-WMZHIEFXSA-N 1 2 446.548 0.819 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001540532952 1071648485 /nfs/dbraw/zinc/64/84/85/1071648485.db2.gz GQEHRRXIGNCDOC-WMZHIEFXSA-N 1 2 446.548 0.819 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001540532953 1071648598 /nfs/dbraw/zinc/64/85/98/1071648598.db2.gz GQEHRRXIGNCDOC-XXBNENTESA-N 1 2 446.548 0.819 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC001540532953 1071648594 /nfs/dbraw/zinc/64/85/94/1071648594.db2.gz GQEHRRXIGNCDOC-XXBNENTESA-N 1 2 446.548 0.819 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CCOC)NC(=O)OCc2ccccc2)CC1 ZINC001540533048 1071648454 /nfs/dbraw/zinc/64/84/54/1071648454.db2.gz JLOXPRPAGWCFGU-IBGZPJMESA-N 1 2 434.537 0.988 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CCOC)NC(=O)OCc2ccccc2)CC1 ZINC001540533048 1071648450 /nfs/dbraw/zinc/64/84/50/1071648450.db2.gz JLOXPRPAGWCFGU-IBGZPJMESA-N 1 2 434.537 0.988 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CCOC)NC(=O)OCc2ccccc2)CC1 ZINC001540533049 1071648613 /nfs/dbraw/zinc/64/86/13/1071648613.db2.gz JLOXPRPAGWCFGU-LJQANCHMSA-N 1 2 434.537 0.988 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CCOC)NC(=O)OCc2ccccc2)CC1 ZINC001540533049 1071648611 /nfs/dbraw/zinc/64/86/11/1071648611.db2.gz JLOXPRPAGWCFGU-LJQANCHMSA-N 1 2 434.537 0.988 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001540533060 1071648431 /nfs/dbraw/zinc/64/84/31/1071648431.db2.gz JSEJBFLHOZDFRL-HKUYNNGSSA-N 1 2 434.512 0.000 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001540533060 1071648427 /nfs/dbraw/zinc/64/84/27/1071648427.db2.gz JSEJBFLHOZDFRL-HKUYNNGSSA-N 1 2 434.512 0.000 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001540533061 1071648536 /nfs/dbraw/zinc/64/85/36/1071648536.db2.gz JSEJBFLHOZDFRL-IEBWSBKVSA-N 1 2 434.512 0.000 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001540533061 1071648532 /nfs/dbraw/zinc/64/85/32/1071648532.db2.gz JSEJBFLHOZDFRL-IEBWSBKVSA-N 1 2 434.512 0.000 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001540533062 1071648582 /nfs/dbraw/zinc/64/85/82/1071648582.db2.gz JSEJBFLHOZDFRL-MJGOQNOKSA-N 1 2 434.512 0.000 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001540533062 1071648577 /nfs/dbraw/zinc/64/85/77/1071648577.db2.gz JSEJBFLHOZDFRL-MJGOQNOKSA-N 1 2 434.512 0.000 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001540533063 1071648470 /nfs/dbraw/zinc/64/84/70/1071648470.db2.gz JSEJBFLHOZDFRL-PKOBYXMFSA-N 1 2 434.512 0.000 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001540533063 1071648468 /nfs/dbraw/zinc/64/84/68/1071648468.db2.gz JSEJBFLHOZDFRL-PKOBYXMFSA-N 1 2 434.512 0.000 20 0 ICADLO O=C(Cc1[nH]cc[nH+]1)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC001540540143 1071650136 /nfs/dbraw/zinc/65/01/36/1071650136.db2.gz OCZYXPZJIAWVKI-UHFFFAOYSA-N 1 2 439.881 0.470 20 0 ICADLO O=C(C[NH+]1CCC(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1)Nc1ccccc1 ZINC001540542742 1071650154 /nfs/dbraw/zinc/65/01/54/1071650154.db2.gz MXTRLEYWMFDZCQ-SFHVURJKSA-N 1 2 443.479 0.531 20 0 ICADLO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)c1 ZINC001540557892 1071651343 /nfs/dbraw/zinc/65/13/43/1071651343.db2.gz QYAORYIWSLBXGK-ZIAGYGMSSA-N 1 2 438.531 0.905 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 ZINC001540611852 1071656078 /nfs/dbraw/zinc/65/60/78/1071656078.db2.gz GZBNTNTVQWVZLX-NRFANRHFSA-N 1 2 426.558 0.978 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 ZINC001540611852 1071656070 /nfs/dbraw/zinc/65/60/70/1071656070.db2.gz GZBNTNTVQWVZLX-NRFANRHFSA-N 1 2 426.558 0.978 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 ZINC001540611853 1071656252 /nfs/dbraw/zinc/65/62/52/1071656252.db2.gz GZBNTNTVQWVZLX-OAQYLSRUSA-N 1 2 426.558 0.978 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 ZINC001540611853 1071656245 /nfs/dbraw/zinc/65/62/45/1071656245.db2.gz GZBNTNTVQWVZLX-OAQYLSRUSA-N 1 2 426.558 0.978 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)CC1 ZINC001540612213 1071656604 /nfs/dbraw/zinc/65/66/04/1071656604.db2.gz UCAODISTWUVFHW-HTAPYJJXSA-N 1 2 438.569 0.930 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)CC1 ZINC001540612213 1071656600 /nfs/dbraw/zinc/65/66/00/1071656600.db2.gz UCAODISTWUVFHW-HTAPYJJXSA-N 1 2 438.569 0.930 20 0 ICADLO O=C(CN1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1)NCc1ccccc1 ZINC001540638346 1071660917 /nfs/dbraw/zinc/66/09/17/1071660917.db2.gz RRVRKCKUWFOPEK-UHFFFAOYSA-N 1 2 439.560 0.895 20 0 ICADLO CS(=O)(=O)NC1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC001540646714 1071662127 /nfs/dbraw/zinc/66/21/27/1071662127.db2.gz VBYODPMVBOTSRC-KRWDZBQOSA-N 1 2 425.555 0.558 20 0 ICADLO CS(=O)(=O)NC1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC001540646714 1071662123 /nfs/dbraw/zinc/66/21/23/1071662123.db2.gz VBYODPMVBOTSRC-KRWDZBQOSA-N 1 2 425.555 0.558 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC001540673112 1071663911 /nfs/dbraw/zinc/66/39/11/1071663911.db2.gz PJTAAKNJDCHTEG-GFCCVEGCSA-N 1 2 425.415 0.813 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC001540673113 1071664004 /nfs/dbraw/zinc/66/40/04/1071664004.db2.gz PJTAAKNJDCHTEG-LBPRGKRZSA-N 1 2 425.415 0.813 20 0 ICADLO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001540696704 1071666203 /nfs/dbraw/zinc/66/62/03/1071666203.db2.gz RSAVAUYMRCZMPI-CYBMUJFWSA-N 1 2 441.414 0.421 20 0 ICADLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)N2CCOCC2)CC1)C1CCCCC1 ZINC001540698490 1071666910 /nfs/dbraw/zinc/66/69/10/1071666910.db2.gz PPECYXJNVPROMV-IBGZPJMESA-N 1 2 446.552 0.614 20 0 ICADLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)N2CCOCC2)CC1)C1CCCCC1 ZINC001540698490 1071666905 /nfs/dbraw/zinc/66/69/05/1071666905.db2.gz PPECYXJNVPROMV-IBGZPJMESA-N 1 2 446.552 0.614 20 0 ICADLO Cc1nc([C@H]2CCOC2)sc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001540750194 1071670392 /nfs/dbraw/zinc/67/03/92/1071670392.db2.gz AYNJREGGFHOVAL-HNNXBMFYSA-N 1 2 443.595 0.205 20 0 ICADLO Cc1nc([C@@H]2CCOC2)sc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001540750195 1071670505 /nfs/dbraw/zinc/67/05/05/1071670505.db2.gz AYNJREGGFHOVAL-OAHLLOKOSA-N 1 2 443.595 0.205 20 0 ICADLO CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001540750199 1071670417 /nfs/dbraw/zinc/67/04/17/1071670417.db2.gz BDSZBQZHSUOLLW-KRWDZBQOSA-N 1 2 445.630 0.200 20 0 ICADLO Cc1ccccc1C1=NO[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001540750215 1071670475 /nfs/dbraw/zinc/67/04/75/1071670475.db2.gz BWXBGGLVVVWSOB-IBGZPJMESA-N 1 2 435.550 0.124 20 0 ICADLO Cc1ccccc1C1=NO[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001540750216 1071670495 /nfs/dbraw/zinc/67/04/95/1071670495.db2.gz BWXBGGLVVVWSOB-LJQANCHMSA-N 1 2 435.550 0.124 20 0 ICADLO COc1cccc(OCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001540750380 1071671006 /nfs/dbraw/zinc/67/10/06/1071671006.db2.gz JXLCOZJUQLEVMU-UHFFFAOYSA-N 1 2 426.539 0.101 20 0 ICADLO Cc1nc(C2CCC2)sc1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001540750386 1071671117 /nfs/dbraw/zinc/67/11/17/1071671117.db2.gz KDYDZLYIHVZEEH-UHFFFAOYSA-N 1 2 441.623 0.898 20 0 ICADLO CCn1ncnc1-c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001540750393 1071671020 /nfs/dbraw/zinc/67/10/20/1071671020.db2.gz KIKCNUTXAUQCPG-UHFFFAOYSA-N 1 2 447.565 0.215 20 0 ICADLO Cc1ccc(Br)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001540750415 1071670974 /nfs/dbraw/zinc/67/09/74/1071670974.db2.gz LGDPRAKOMRQKPN-UHFFFAOYSA-N 1 2 446.371 0.403 20 0 ICADLO CSc1ccc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001540750536 1071671041 /nfs/dbraw/zinc/67/10/41/1071671041.db2.gz PRUYURBFIXVYOH-UHFFFAOYSA-N 1 2 426.608 0.978 20 0 ICADLO Cc1c(=O)[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001540750570 1071671109 /nfs/dbraw/zinc/67/11/09/1071671109.db2.gz RRENHYQQPSMPFR-UHFFFAOYSA-N 1 2 433.534 0.499 20 0 ICADLO Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1-c1cnn(C)c1 ZINC001540750619 1071671643 /nfs/dbraw/zinc/67/16/43/1071671643.db2.gz UJZAWVKIKFGKCA-UHFFFAOYSA-N 1 2 446.577 0.646 20 0 ICADLO COc1cccc(-c2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)on2)c1 ZINC001540750620 1071671720 /nfs/dbraw/zinc/67/17/20/1071671720.db2.gz UKHCFOVYEURZCA-UHFFFAOYSA-N 1 2 449.533 0.600 20 0 ICADLO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cc(-n2cc[nH+]c2)ccc1O ZINC001540778176 1071675892 /nfs/dbraw/zinc/67/58/92/1071675892.db2.gz WURVKQZXQKONER-UHFFFAOYSA-N 1 2 441.469 0.951 20 0 ICADLO C/C(=C\C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC001540783776 1071676458 /nfs/dbraw/zinc/67/64/58/1071676458.db2.gz MIWZEEAOTHKJMK-FBMGVBCBSA-N 1 2 428.599 0.918 20 0 ICADLO C/C(=C/C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC001540783777 1071676380 /nfs/dbraw/zinc/67/63/80/1071676380.db2.gz MIWZEEAOTHKJMK-VLGSPTGOSA-N 1 2 428.599 0.918 20 0 ICADLO CCS(=O)(=O)NC1CCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC001540799482 1071676402 /nfs/dbraw/zinc/67/64/02/1071676402.db2.gz IXIICSHVEORHGL-UHFFFAOYSA-N 1 2 425.551 0.992 20 0 ICADLO CCS(=O)(=O)NC1CCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC001540799482 1071676399 /nfs/dbraw/zinc/67/63/99/1071676399.db2.gz IXIICSHVEORHGL-UHFFFAOYSA-N 1 2 425.551 0.992 20 0 ICADLO NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001540821533 1071680458 /nfs/dbraw/zinc/68/04/58/1071680458.db2.gz NUSFNWRFTDWRNG-XLIONFOSSA-N 1 2 444.532 0.842 20 0 ICADLO C[C@H]1CCc2nc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)cn2C1 ZINC001540833073 1071682348 /nfs/dbraw/zinc/68/23/48/1071682348.db2.gz GQLAJYXVOAEADA-INIZCTEOSA-N 1 2 432.550 0.742 20 0 ICADLO C[C@@H]1CCc2nc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)cn2C1 ZINC001540833074 1071682243 /nfs/dbraw/zinc/68/22/43/1071682243.db2.gz GQLAJYXVOAEADA-MRXNPFEDSA-N 1 2 432.550 0.742 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(Br)n[nH]1 ZINC001540833083 1071682194 /nfs/dbraw/zinc/68/21/94/1071682194.db2.gz GUBPUWALVJCKHJ-UHFFFAOYSA-N 1 2 443.327 0.449 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1c[nH]nc1-c1ccco1 ZINC001540833476 1071682299 /nfs/dbraw/zinc/68/22/99/1071682299.db2.gz POMIYYIUDNGPJV-UHFFFAOYSA-N 1 2 430.490 0.947 20 0 ICADLO Cc1cccc2ncc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)n21 ZINC001540833549 1071682215 /nfs/dbraw/zinc/68/22/15/1071682215.db2.gz RKIDRFKOTFXBLG-UHFFFAOYSA-N 1 2 428.518 0.920 20 0 ICADLO COc1ccc2c(c1)c(C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)c(C)n2C ZINC001540835241 1071682944 /nfs/dbraw/zinc/68/29/44/1071682944.db2.gz BCSVZEBGMDCLOD-UHFFFAOYSA-N 1 2 449.577 0.745 20 0 ICADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)n1ccc(C(F)(F)F)n1 ZINC001540835392 1071682811 /nfs/dbraw/zinc/68/28/11/1071682811.db2.gz HDZDIJIETXMEKP-CYBMUJFWSA-N 1 2 438.476 0.099 20 0 ICADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)n1ccc(C(F)(F)F)n1 ZINC001540835393 1071682874 /nfs/dbraw/zinc/68/28/74/1071682874.db2.gz HDZDIJIETXMEKP-ZDUSSCGKSA-N 1 2 438.476 0.099 20 0 ICADLO COc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c2ccccc2n1 ZINC001540835529 1071682966 /nfs/dbraw/zinc/68/29/66/1071682966.db2.gz LUJLNCMQERLYGY-UHFFFAOYSA-N 1 2 433.534 0.493 20 0 ICADLO CCCCc1nc(C)c(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC001540835634 1071682919 /nfs/dbraw/zinc/68/29/19/1071682919.db2.gz PBUUNQJUGKIIAS-UHFFFAOYSA-N 1 2 443.639 0.973 20 0 ICADLO C[C@H](Sc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001540835709 1071682823 /nfs/dbraw/zinc/68/28/23/1071682823.db2.gz RUJPHPOCPHJRFW-HNNXBMFYSA-N 1 2 430.571 0.943 20 0 ICADLO C[C@@H](Sc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001540835710 1071682765 /nfs/dbraw/zinc/68/27/65/1071682765.db2.gz RUJPHPOCPHJRFW-OAHLLOKOSA-N 1 2 430.571 0.943 20 0 ICADLO Cc1nn(CC2CC2)c(C)c1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001540835807 1071683432 /nfs/dbraw/zinc/68/34/32/1071683432.db2.gz VZIPMFORPWNFMN-UHFFFAOYSA-N 1 2 438.598 0.089 20 0 ICADLO Cc1c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c2ccccc2n(C)c1=O ZINC001540835833 1071683324 /nfs/dbraw/zinc/68/33/24/1071683324.db2.gz WZRIBJXPKBETMV-UHFFFAOYSA-N 1 2 447.561 0.097 20 0 ICADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)oc1Br ZINC001540835853 1071682858 /nfs/dbraw/zinc/68/28/58/1071682858.db2.gz XOOMOBKGATYWAK-UHFFFAOYSA-N 1 2 435.344 0.601 20 0 ICADLO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001540932979 1071705988 /nfs/dbraw/zinc/70/59/88/1071705988.db2.gz ZDYUMQXQUCRZLH-CRAIPNDOSA-N 1 2 433.557 0.397 20 0 ICADLO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001540932979 1071705981 /nfs/dbraw/zinc/70/59/81/1071705981.db2.gz ZDYUMQXQUCRZLH-CRAIPNDOSA-N 1 2 433.557 0.397 20 0 ICADLO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001540932983 1071705966 /nfs/dbraw/zinc/70/59/66/1071705966.db2.gz ZDYUMQXQUCRZLH-MAUKXSAKSA-N 1 2 433.557 0.397 20 0 ICADLO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001540932983 1071705952 /nfs/dbraw/zinc/70/59/52/1071705952.db2.gz ZDYUMQXQUCRZLH-MAUKXSAKSA-N 1 2 433.557 0.397 20 0 ICADLO CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001540932985 1071706167 /nfs/dbraw/zinc/70/61/67/1071706167.db2.gz ZDYUMQXQUCRZLH-QAPCUYQASA-N 1 2 433.557 0.397 20 0 ICADLO CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001540932985 1071706162 /nfs/dbraw/zinc/70/61/62/1071706162.db2.gz ZDYUMQXQUCRZLH-QAPCUYQASA-N 1 2 433.557 0.397 20 0 ICADLO CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001540932986 1071706078 /nfs/dbraw/zinc/70/60/78/1071706078.db2.gz ZDYUMQXQUCRZLH-YJBOKZPZSA-N 1 2 433.557 0.397 20 0 ICADLO CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001540932986 1071706068 /nfs/dbraw/zinc/70/60/68/1071706068.db2.gz ZDYUMQXQUCRZLH-YJBOKZPZSA-N 1 2 433.557 0.397 20 0 ICADLO CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001540933500 1071706097 /nfs/dbraw/zinc/70/60/97/1071706097.db2.gz SMDAFRSOTGQZPE-KRWDZBQOSA-N 1 2 447.584 0.568 20 0 ICADLO CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001540933501 1071705920 /nfs/dbraw/zinc/70/59/20/1071705920.db2.gz SMDAFRSOTGQZPE-QGZVFWFLSA-N 1 2 447.584 0.568 20 0 ICADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001540940454 1071708087 /nfs/dbraw/zinc/70/80/87/1071708087.db2.gz BWPITNRONRPYCM-CGTJXYLNSA-N 1 2 433.557 0.255 20 0 ICADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001540940454 1071708078 /nfs/dbraw/zinc/70/80/78/1071708078.db2.gz BWPITNRONRPYCM-CGTJXYLNSA-N 1 2 433.557 0.255 20 0 ICADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001540940455 1071707913 /nfs/dbraw/zinc/70/79/13/1071707913.db2.gz BWPITNRONRPYCM-JQHSSLGASA-N 1 2 433.557 0.255 20 0 ICADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001540940455 1071707908 /nfs/dbraw/zinc/70/79/08/1071707908.db2.gz BWPITNRONRPYCM-JQHSSLGASA-N 1 2 433.557 0.255 20 0 ICADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001540940508 1071708029 /nfs/dbraw/zinc/70/80/29/1071708029.db2.gz BWPITNRONRPYCM-KBAYOESNSA-N 1 2 433.557 0.255 20 0 ICADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001540940508 1071708026 /nfs/dbraw/zinc/70/80/26/1071708026.db2.gz BWPITNRONRPYCM-KBAYOESNSA-N 1 2 433.557 0.255 20 0 ICADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001540940509 1071707957 /nfs/dbraw/zinc/70/79/57/1071707957.db2.gz BWPITNRONRPYCM-NXHRZFHOSA-N 1 2 433.557 0.255 20 0 ICADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001540940509 1071707954 /nfs/dbraw/zinc/70/79/54/1071707954.db2.gz BWPITNRONRPYCM-NXHRZFHOSA-N 1 2 433.557 0.255 20 0 ICADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)c2cccn2CC[NH+]2CCOCC2)cc1 ZINC001540940733 1071708043 /nfs/dbraw/zinc/70/80/43/1071708043.db2.gz YCWGKIJEZVPLPP-UHFFFAOYSA-N 1 2 428.489 0.904 20 0 ICADLO CC(=O)N1CCC(Cn2c(CN3CCCC3=O)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001540951342 1071711595 /nfs/dbraw/zinc/71/15/95/1071711595.db2.gz QHECLDAJRRLMFR-UHFFFAOYSA-N 1 2 447.584 0.427 20 0 ICADLO CC(=O)N1CCC(Cn2c(-c3cnccn3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001540951731 1071711649 /nfs/dbraw/zinc/71/16/49/1071711649.db2.gz XWDLCIQMKAJOEG-UHFFFAOYSA-N 1 2 428.541 0.762 20 0 ICADLO CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001540972640 1071715236 /nfs/dbraw/zinc/71/52/36/1071715236.db2.gz LJUYPKBUQIIJJM-GOSISDBHSA-N 1 2 435.573 0.442 20 0 ICADLO CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001540972641 1071715048 /nfs/dbraw/zinc/71/50/48/1071715048.db2.gz LJUYPKBUQIIJJM-SFHVURJKSA-N 1 2 435.573 0.442 20 0 ICADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001540975109 1071716046 /nfs/dbraw/zinc/71/60/46/1071716046.db2.gz DFCMRGWNKKJBQJ-INIZCTEOSA-N 1 2 449.581 0.893 20 0 ICADLO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001540975112 1071716013 /nfs/dbraw/zinc/71/60/13/1071716013.db2.gz DFCMRGWNKKJBQJ-MRXNPFEDSA-N 1 2 449.581 0.893 20 0 ICADLO CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001540996893 1071720974 /nfs/dbraw/zinc/72/09/74/1071720974.db2.gz WAKNLGHUYHKDNY-UHFFFAOYSA-N 1 2 426.525 0.578 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(Cc3cccc(F)c3)C(=O)C2)CC1 ZINC001541002258 1071722480 /nfs/dbraw/zinc/72/24/80/1071722480.db2.gz BDPDEGNUZZHKPY-UHFFFAOYSA-N 1 2 443.527 0.739 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001541002427 1071722638 /nfs/dbraw/zinc/72/26/38/1071722638.db2.gz DLGUENROJWZLJP-HNNXBMFYSA-N 1 2 449.581 0.595 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001541002430 1071722514 /nfs/dbraw/zinc/72/25/14/1071722514.db2.gz DLGUENROJWZLJP-OAHLLOKOSA-N 1 2 449.581 0.595 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(C(=O)c3ccc(O)cc3)CC2)CC1 ZINC001541002447 1071722500 /nfs/dbraw/zinc/72/25/00/1071722500.db2.gz DNVNPOBRKRZVGP-UHFFFAOYSA-N 1 2 441.536 0.419 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)CC1 ZINC001541002461 1071722604 /nfs/dbraw/zinc/72/26/04/1071722604.db2.gz DVNHSPSJXCLNJU-UHFFFAOYSA-N 1 2 445.490 0.646 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001541003094 1071723089 /nfs/dbraw/zinc/72/30/89/1071723089.db2.gz LPULRKQPCZZAQI-UHFFFAOYSA-N 1 2 443.556 0.152 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001541003220 1071723318 /nfs/dbraw/zinc/72/33/18/1071723318.db2.gz MPWNUKPOKDASPA-UHFFFAOYSA-N 1 2 441.602 0.037 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCOCC2CC2)CC1 ZINC001541005032 1071723160 /nfs/dbraw/zinc/72/31/60/1071723160.db2.gz HMJIVRUYISYWMF-GOSISDBHSA-N 1 2 433.557 0.256 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCOCC2CC2)CC1 ZINC001541005033 1071723286 /nfs/dbraw/zinc/72/32/86/1071723286.db2.gz HMJIVRUYISYWMF-SFHVURJKSA-N 1 2 433.557 0.256 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001541005070 1071723128 /nfs/dbraw/zinc/72/31/28/1071723128.db2.gz IZABSKIRUZKVOX-UHFFFAOYSA-N 1 2 446.600 0.950 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N(C)Cc2ncnn2CC(F)F)CC1 ZINC001541005254 1071723660 /nfs/dbraw/zinc/72/36/60/1071723660.db2.gz OOJKXRWAAUUDJO-UHFFFAOYSA-N 1 2 437.499 0.813 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2ccnc(S(N)(=O)=O)c2)CC1 ZINC001541005519 1071723590 /nfs/dbraw/zinc/72/35/90/1071723590.db2.gz GFYXFUBTNDFQKK-UHFFFAOYSA-N 1 2 427.527 0.402 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001541005711 1071723727 /nfs/dbraw/zinc/72/37/27/1071723727.db2.gz XKZZLIODMKVBGP-GOSISDBHSA-N 1 2 443.556 0.072 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001541005713 1071724401 /nfs/dbraw/zinc/72/44/01/1071724401.db2.gz XKZZLIODMKVBGP-SFHVURJKSA-N 1 2 443.556 0.072 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001541006108 1071724344 /nfs/dbraw/zinc/72/43/44/1071724344.db2.gz BGCMBTSRHNJIBQ-UHFFFAOYSA-N 1 2 442.568 0.389 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001541006112 1071724376 /nfs/dbraw/zinc/72/43/76/1071724376.db2.gz BIDPHVCSTZUUQN-UHFFFAOYSA-N 1 2 431.566 0.373 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001541006119 1071724226 /nfs/dbraw/zinc/72/42/26/1071724226.db2.gz BRKIIWAIZGQZEV-NRFANRHFSA-N 1 2 445.593 0.796 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001541006120 1071724393 /nfs/dbraw/zinc/72/43/93/1071724393.db2.gz BRKIIWAIZGQZEV-OAQYLSRUSA-N 1 2 445.593 0.796 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N(C)Cc2cnccn2)CC1 ZINC001541006325 1071724257 /nfs/dbraw/zinc/72/42/57/1071724257.db2.gz GCBVWDOTQAMYST-UHFFFAOYSA-N 1 2 435.536 0.854 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)CC1 ZINC001541006493 1071724329 /nfs/dbraw/zinc/72/43/29/1071724329.db2.gz KFSVGHXLSVAWNL-GOSISDBHSA-N 1 2 446.600 0.587 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)CC1 ZINC001541006494 1071724354 /nfs/dbraw/zinc/72/43/54/1071724354.db2.gz KFSVGHXLSVAWNL-SFHVURJKSA-N 1 2 446.600 0.587 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001541006523 1071724242 /nfs/dbraw/zinc/72/42/42/1071724242.db2.gz LNLKRNMGVDTKKY-GOSISDBHSA-N 1 2 435.573 0.155 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001541006524 1071724295 /nfs/dbraw/zinc/72/42/95/1071724295.db2.gz LNLKRNMGVDTKKY-SFHVURJKSA-N 1 2 435.573 0.155 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCSC[C@@H]2C)CC1 ZINC001541006588 1071724272 /nfs/dbraw/zinc/72/42/72/1071724272.db2.gz AERDTILNMWYPSR-INIZCTEOSA-N 1 2 435.598 0.506 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCSC[C@H]2C)CC1 ZINC001541006589 1071724385 /nfs/dbraw/zinc/72/43/85/1071724385.db2.gz AERDTILNMWYPSR-MRXNPFEDSA-N 1 2 435.598 0.506 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(N3CCN(c4cnccn4)CC3)nnc2C(C)(C)C)CC1 ZINC001541006611 1071724168 /nfs/dbraw/zinc/72/41/68/1071724168.db2.gz APNFTRQORGRGER-UHFFFAOYSA-N 1 2 441.584 0.856 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N2CCNC(=O)CC2)CC1 ZINC001541006667 1071724336 /nfs/dbraw/zinc/72/43/36/1071724336.db2.gz OKJGIDOCRWGWQQ-UHFFFAOYSA-N 1 2 446.581 0.124 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001541006840 1071724687 /nfs/dbraw/zinc/72/46/87/1071724687.db2.gz RZTLQKIJEJQBFT-KRWDZBQOSA-N 1 2 435.573 0.297 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001541006841 1071724821 /nfs/dbraw/zinc/72/48/21/1071724821.db2.gz RZTLQKIJEJQBFT-QGZVFWFLSA-N 1 2 435.573 0.297 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001541006867 1071724881 /nfs/dbraw/zinc/72/48/81/1071724881.db2.gz SMYLTPRQJHAATA-KRWDZBQOSA-N 1 2 441.527 0.333 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001541006868 1071724757 /nfs/dbraw/zinc/72/47/57/1071724757.db2.gz SMYLTPRQJHAATA-QGZVFWFLSA-N 1 2 441.527 0.333 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CCC(CO)CC2)CC1 ZINC001541006876 1071724731 /nfs/dbraw/zinc/72/47/31/1071724731.db2.gz SSKOSATVQKSEPN-UHFFFAOYSA-N 1 2 427.553 0.637 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001541006905 1071724663 /nfs/dbraw/zinc/72/46/63/1071724663.db2.gz FPCAWMBJKXYGHT-HXUWFJFHSA-N 1 2 444.584 0.919 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(N(C)CC(=O)N3CCOCC3)nnc2C(C)(C)C)CC1 ZINC001541007152 1071724891 /nfs/dbraw/zinc/72/48/91/1071724891.db2.gz JYRGASZEDUYZJW-UHFFFAOYSA-N 1 2 435.573 0.035 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001541007199 1071724846 /nfs/dbraw/zinc/72/48/46/1071724846.db2.gz XIQBFDZEUBVJBI-GOSISDBHSA-N 1 2 435.573 0.297 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001541007200 1071724922 /nfs/dbraw/zinc/72/49/22/1071724922.db2.gz XIQBFDZEUBVJBI-SFHVURJKSA-N 1 2 435.573 0.297 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001541007210 1071724866 /nfs/dbraw/zinc/72/48/66/1071724866.db2.gz XNTGCQJJIYWGNW-INIZCTEOSA-N 1 2 445.593 0.761 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001541007211 1071724647 /nfs/dbraw/zinc/72/46/47/1071724647.db2.gz XNTGCQJJIYWGNW-MRXNPFEDSA-N 1 2 445.593 0.761 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001541007364 1071725394 /nfs/dbraw/zinc/72/53/94/1071725394.db2.gz NCKJPMJVDFFQKU-OALUTQOASA-N 1 2 444.584 0.917 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001541007365 1071725437 /nfs/dbraw/zinc/72/54/37/1071725437.db2.gz NCKJPMJVDFFQKU-RTBURBONSA-N 1 2 444.584 0.917 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(N3CC(=O)N[C@@H]4CCCC[C@@H]43)nnc2C(C)(C)C)CC1 ZINC001541007445 1071725430 /nfs/dbraw/zinc/72/54/30/1071725430.db2.gz PKEGWDGYVJFGKA-MSOLQXFVSA-N 1 2 431.585 0.987 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(N3CC(=O)N[C@@H]4CCCC[C@H]43)nnc2C(C)(C)C)CC1 ZINC001541007446 1071725409 /nfs/dbraw/zinc/72/54/09/1071725409.db2.gz PKEGWDGYVJFGKA-QZTJIDSGSA-N 1 2 431.585 0.987 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(N3CC(=O)N[C@H]4CCCC[C@@H]43)nnc2C(C)(C)C)CC1 ZINC001541007447 1071725328 /nfs/dbraw/zinc/72/53/28/1071725328.db2.gz PKEGWDGYVJFGKA-ROUUACIJSA-N 1 2 431.585 0.987 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(N3CC(=O)N[C@H]4CCCC[C@H]43)nnc2C(C)(C)C)CC1 ZINC001541007448 1071725453 /nfs/dbraw/zinc/72/54/53/1071725453.db2.gz PKEGWDGYVJFGKA-ZWKOTPCHSA-N 1 2 431.585 0.987 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N(C)Cc2ccoc2)CC1 ZINC001541007486 1071725368 /nfs/dbraw/zinc/72/53/68/1071725368.db2.gz QNOLTTWUQDSQRG-UHFFFAOYSA-N 1 2 429.525 0.794 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(F)cc3)nnc2N2CCNC(=O)C2)CC1 ZINC001541007544 1071725339 /nfs/dbraw/zinc/72/53/39/1071725339.db2.gz SVNSYWPZSBQJFG-UHFFFAOYSA-N 1 2 445.499 0.097 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001541007615 1071725292 /nfs/dbraw/zinc/72/52/92/1071725292.db2.gz WECCSNTVIUUXDK-UHFFFAOYSA-N 1 2 439.564 0.506 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(N3CCC(N4CCNC4=O)CC3)nnc2C(C)(C)C)CC1 ZINC001541007655 1071725447 /nfs/dbraw/zinc/72/54/47/1071725447.db2.gz YCCLUMVWWTUMLR-UHFFFAOYSA-N 1 2 446.600 0.734 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(N3CCO[C@H](Cn4cccn4)C3)nnc2C(C)(C)C)CC1 ZINC001541007698 1071725276 /nfs/dbraw/zinc/72/52/76/1071725276.db2.gz ZGBZWRAYRBPSGH-IBGZPJMESA-N 1 2 444.584 0.842 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(N3CCO[C@@H](Cn4cccn4)C3)nnc2C(C)(C)C)CC1 ZINC001541007699 1071725419 /nfs/dbraw/zinc/72/54/19/1071725419.db2.gz ZGBZWRAYRBPSGH-LJQANCHMSA-N 1 2 444.584 0.842 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001541007704 1071725463 /nfs/dbraw/zinc/72/54/63/1071725463.db2.gz ZNLLZRBNDAOFOG-KRWDZBQOSA-N 1 2 447.584 0.568 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001541007705 1071725354 /nfs/dbraw/zinc/72/53/54/1071725354.db2.gz ZNLLZRBNDAOFOG-QGZVFWFLSA-N 1 2 447.584 0.568 20 0 ICADLO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)CC2)CC1 ZINC001541007870 1071725389 /nfs/dbraw/zinc/72/53/89/1071725389.db2.gz FHNCVXRKWZAZOO-UHFFFAOYSA-N 1 2 434.971 0.675 20 0 ICADLO CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)CC[NH+]2CCOCC2)cn1 ZINC001541010398 1071725850 /nfs/dbraw/zinc/72/58/50/1071725850.db2.gz QEFHEUDBHWZPJB-UHFFFAOYSA-N 1 2 444.540 0.586 20 0 ICADLO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)Cc3nnc(C4CCOCC4)[nH]3)cc2)CC1 ZINC001541021818 1071727723 /nfs/dbraw/zinc/72/77/23/1071727723.db2.gz GYPLAUJYZDWLHX-UHFFFAOYSA-N 1 2 426.521 0.945 20 0 ICADLO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001541026884 1071727594 /nfs/dbraw/zinc/72/75/94/1071727594.db2.gz ARYDRWCPNZUQCT-KRWDZBQOSA-N 1 2 435.573 0.632 20 0 ICADLO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001541026885 1071728139 /nfs/dbraw/zinc/72/81/39/1071728139.db2.gz ARYDRWCPNZUQCT-QGZVFWFLSA-N 1 2 435.573 0.632 20 0 ICADLO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001541027578 1071728714 /nfs/dbraw/zinc/72/87/14/1071728714.db2.gz TVXBYYVUZFMCAK-KRWDZBQOSA-N 1 2 435.573 0.632 20 0 ICADLO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001541027578 1071728705 /nfs/dbraw/zinc/72/87/05/1071728705.db2.gz TVXBYYVUZFMCAK-KRWDZBQOSA-N 1 2 435.573 0.632 20 0 ICADLO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001541027579 1071728479 /nfs/dbraw/zinc/72/84/79/1071728479.db2.gz TVXBYYVUZFMCAK-QGZVFWFLSA-N 1 2 435.573 0.632 20 0 ICADLO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001541027579 1071728472 /nfs/dbraw/zinc/72/84/72/1071728472.db2.gz TVXBYYVUZFMCAK-QGZVFWFLSA-N 1 2 435.573 0.632 20 0 ICADLO CC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001541036923 1071731101 /nfs/dbraw/zinc/73/11/01/1071731101.db2.gz JLAQRECVRMMUQS-MSOLQXFVSA-N 1 2 436.582 0.547 20 0 ICADLO CC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001541036923 1071731095 /nfs/dbraw/zinc/73/10/95/1071731095.db2.gz JLAQRECVRMMUQS-MSOLQXFVSA-N 1 2 436.582 0.547 20 0 ICADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001541036924 1071731553 /nfs/dbraw/zinc/73/15/53/1071731553.db2.gz JLAQRECVRMMUQS-QZTJIDSGSA-N 1 2 436.582 0.547 20 0 ICADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001541036924 1071731540 /nfs/dbraw/zinc/73/15/40/1071731540.db2.gz JLAQRECVRMMUQS-QZTJIDSGSA-N 1 2 436.582 0.547 20 0 ICADLO CC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001541036925 1071731666 /nfs/dbraw/zinc/73/16/66/1071731666.db2.gz JLAQRECVRMMUQS-ROUUACIJSA-N 1 2 436.582 0.547 20 0 ICADLO CC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001541036925 1071731659 /nfs/dbraw/zinc/73/16/59/1071731659.db2.gz JLAQRECVRMMUQS-ROUUACIJSA-N 1 2 436.582 0.547 20 0 ICADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001541036926 1071731624 /nfs/dbraw/zinc/73/16/24/1071731624.db2.gz JLAQRECVRMMUQS-ZWKOTPCHSA-N 1 2 436.582 0.547 20 0 ICADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001541036926 1071731619 /nfs/dbraw/zinc/73/16/19/1071731619.db2.gz JLAQRECVRMMUQS-ZWKOTPCHSA-N 1 2 436.582 0.547 20 0 ICADLO CC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001541041863 1071732749 /nfs/dbraw/zinc/73/27/49/1071732749.db2.gz NXWHFAASDODHHP-UHFFFAOYSA-N 1 2 447.584 0.730 20 0 ICADLO CC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001541041863 1071732744 /nfs/dbraw/zinc/73/27/44/1071732744.db2.gz NXWHFAASDODHHP-UHFFFAOYSA-N 1 2 447.584 0.730 20 0 ICADLO CC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001541046395 1071734224 /nfs/dbraw/zinc/73/42/24/1071734224.db2.gz UBAYMMKOUBBZRT-GOSISDBHSA-N 1 2 433.557 0.051 20 0 ICADLO CC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001541046396 1071734272 /nfs/dbraw/zinc/73/42/72/1071734272.db2.gz UBAYMMKOUBBZRT-SFHVURJKSA-N 1 2 433.557 0.051 20 0 ICADLO CC(=O)NC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001541048209 1071734671 /nfs/dbraw/zinc/73/46/71/1071734671.db2.gz FCEBPRVBUBXGHA-GOSISDBHSA-N 1 2 444.584 0.965 20 0 ICADLO CC(=O)NC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001541048210 1071734700 /nfs/dbraw/zinc/73/47/00/1071734700.db2.gz FCEBPRVBUBXGHA-SFHVURJKSA-N 1 2 444.584 0.965 20 0 ICADLO CC(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001541049854 1071734636 /nfs/dbraw/zinc/73/46/36/1071734636.db2.gz AFYBNVIRWGDQRS-LJQANCHMSA-N 1 2 433.557 0.399 20 0 ICADLO CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001541062784 1071738014 /nfs/dbraw/zinc/73/80/14/1071738014.db2.gz NWOQRNSCBFAIIL-UHFFFAOYSA-N 1 2 449.600 0.880 20 0 ICADLO CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001541062784 1071738008 /nfs/dbraw/zinc/73/80/08/1071738008.db2.gz NWOQRNSCBFAIIL-UHFFFAOYSA-N 1 2 449.600 0.880 20 0 ICADLO CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCNc2cccc[nH+]2)CCO1 ZINC001541070901 1071740154 /nfs/dbraw/zinc/74/01/54/1071740154.db2.gz JWHPPPHCKXFJOZ-KRWDZBQOSA-N 1 2 444.540 0.655 20 0 ICADLO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCNc2cccc[nH+]2)CCO1 ZINC001541070902 1071740180 /nfs/dbraw/zinc/74/01/80/1071740180.db2.gz JWHPPPHCKXFJOZ-QGZVFWFLSA-N 1 2 444.540 0.655 20 0 ICADLO CC(=O)NC[C@H]1CN(c2nnc(C3CCC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001541078196 1071744984 /nfs/dbraw/zinc/74/49/84/1071744984.db2.gz FHGYAZUIZCLWNU-IBGZPJMESA-N 1 2 433.557 0.051 20 0 ICADLO CC(=O)NC[C@@H]1CN(c2nnc(C3CCC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001541078197 1071744897 /nfs/dbraw/zinc/74/48/97/1071744897.db2.gz FHGYAZUIZCLWNU-LJQANCHMSA-N 1 2 433.557 0.051 20 0 ICADLO CC(=O)NC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001541079380 1071745828 /nfs/dbraw/zinc/74/58/28/1071745828.db2.gz IKKYVPBDCOWHQO-FXAWDEMLSA-N 1 2 443.552 0.326 20 0 ICADLO CC(=O)NC[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001541079381 1071745897 /nfs/dbraw/zinc/74/58/97/1071745897.db2.gz IKKYVPBDCOWHQO-PXNSSMCTSA-N 1 2 443.552 0.326 20 0 ICADLO CC(=O)NC[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001541079382 1071745932 /nfs/dbraw/zinc/74/59/32/1071745932.db2.gz IKKYVPBDCOWHQO-XLIONFOSSA-N 1 2 443.552 0.326 20 0 ICADLO CC(=O)NC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001541079383 1071745847 /nfs/dbraw/zinc/74/58/47/1071745847.db2.gz IKKYVPBDCOWHQO-YLJYHZDGSA-N 1 2 443.552 0.326 20 0 ICADLO CC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001541083450 1071748207 /nfs/dbraw/zinc/74/82/07/1071748207.db2.gz MXTGTSAAHNOPEZ-UHFFFAOYSA-N 1 2 441.540 0.465 20 0 ICADLO CC(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001541083707 1071748753 /nfs/dbraw/zinc/74/87/53/1071748753.db2.gz QWZVSHATXPSDEK-UHFFFAOYSA-N 1 2 430.513 0.220 20 0 ICADLO CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001541087237 1071750168 /nfs/dbraw/zinc/75/01/68/1071750168.db2.gz FRLDZRJKVHBQPJ-INIZCTEOSA-N 1 2 440.552 0.655 20 0 ICADLO CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001541087238 1071750286 /nfs/dbraw/zinc/75/02/86/1071750286.db2.gz FRLDZRJKVHBQPJ-MRXNPFEDSA-N 1 2 440.552 0.655 20 0 ICADLO CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001541089686 1071750716 /nfs/dbraw/zinc/75/07/16/1071750716.db2.gz DTBYWEZMHMLKAM-IBGZPJMESA-N 1 2 441.584 0.866 20 0 ICADLO CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001541089692 1071750748 /nfs/dbraw/zinc/75/07/48/1071750748.db2.gz DTBYWEZMHMLKAM-LJQANCHMSA-N 1 2 441.584 0.866 20 0 ICADLO CC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001541095186 1071752775 /nfs/dbraw/zinc/75/27/75/1071752775.db2.gz BBWMIGVUPGCAET-UHFFFAOYSA-N 1 2 426.525 0.648 20 0 ICADLO CC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001541095233 1071752717 /nfs/dbraw/zinc/75/27/17/1071752717.db2.gz BPXRJYBMGUCQKW-UHFFFAOYSA-N 1 2 440.552 0.950 20 0 ICADLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 ZINC001541101692 1071753825 /nfs/dbraw/zinc/75/38/25/1071753825.db2.gz SOKHUAAZNCTUGC-UHFFFAOYSA-N 1 2 440.547 0.506 20 0 ICADLO COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1O ZINC001541113594 1071754404 /nfs/dbraw/zinc/75/44/04/1071754404.db2.gz AONXMSPSHSORCW-UHFFFAOYSA-N 1 2 434.518 0.607 20 0 ICADLO CCON1CCC(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001541113845 1071754467 /nfs/dbraw/zinc/75/44/67/1071754467.db2.gz CXWHONGEEACPKR-UHFFFAOYSA-N 1 2 439.582 0.703 20 0 ICADLO CC(=O)Nc1cnccc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001541113854 1071754323 /nfs/dbraw/zinc/75/43/23/1071754323.db2.gz DAFHDFJEJGLTER-UHFFFAOYSA-N 1 2 432.506 0.317 20 0 ICADLO O=C(/C=C/COC1CCOCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001541114293 1071754439 /nfs/dbraw/zinc/75/44/39/1071754439.db2.gz JXXVZZZHQZORQZ-HWKANZROSA-N 1 2 438.550 0.401 20 0 ICADLO O=C(/C=C\COC1CCOCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001541114295 1071754254 /nfs/dbraw/zinc/75/42/54/1071754254.db2.gz JXXVZZZHQZORQZ-HYXAFXHYSA-N 1 2 438.550 0.401 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2c([nH]c1=O)CCOC2 ZINC001541114674 1071754283 /nfs/dbraw/zinc/75/42/83/1071754283.db2.gz NNNXRPWADKEXHX-UHFFFAOYSA-N 1 2 447.517 0.137 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(=O)[nH]c(C2CC2)n1 ZINC001541114802 1071754923 /nfs/dbraw/zinc/75/49/23/1071754923.db2.gz OYMWVXIASUXJGQ-UHFFFAOYSA-N 1 2 432.506 0.336 20 0 ICADLO Cn1cnc2cncc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)c21 ZINC001541114858 1071755112 /nfs/dbraw/zinc/75/51/12/1071755112.db2.gz PSIQLHPNGCEJOJ-UHFFFAOYSA-N 1 2 429.506 0.245 20 0 ICADLO COc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(N)c1F ZINC001541114899 1071755074 /nfs/dbraw/zinc/75/50/74/1071755074.db2.gz PYFPOWIMYVMSAH-UHFFFAOYSA-N 1 2 437.497 0.693 20 0 ICADLO O=C(CN1CSCCSC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001541115481 1071754978 /nfs/dbraw/zinc/75/49/78/1071754978.db2.gz ZNUKVMCWEVMRIW-UHFFFAOYSA-N 1 2 445.636 0.347 20 0 ICADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2nnn(C)n2)CC1 ZINC001541121762 1071756418 /nfs/dbraw/zinc/75/64/18/1071756418.db2.gz QHQDCKKERMNDGH-INIZCTEOSA-N 1 2 444.588 0.571 20 0 ICADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2nnn(C)n2)CC1 ZINC001541121763 1071756204 /nfs/dbraw/zinc/75/62/04/1071756204.db2.gz QHQDCKKERMNDGH-MRXNPFEDSA-N 1 2 444.588 0.571 20 0 ICADLO CC(C)(C)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001541159870 1071762233 /nfs/dbraw/zinc/76/22/33/1071762233.db2.gz HXXNMDKNVJKPOV-FQEVSTJZSA-N 1 2 441.598 0.426 20 0 ICADLO CC(C)(C)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001541159871 1071762156 /nfs/dbraw/zinc/76/21/56/1071762156.db2.gz HXXNMDKNVJKPOV-HXUWFJFHSA-N 1 2 441.598 0.426 20 0 ICADLO CC(C)(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001541186574 1071764862 /nfs/dbraw/zinc/76/48/62/1071764862.db2.gz RZSKBQCWYDBEEI-INIZCTEOSA-N 1 2 440.552 0.911 20 0 ICADLO CC(C)(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001541186575 1071764749 /nfs/dbraw/zinc/76/47/49/1071764749.db2.gz RZSKBQCWYDBEEI-MRXNPFEDSA-N 1 2 440.552 0.911 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001541194641 1071765245 /nfs/dbraw/zinc/76/52/45/1071765245.db2.gz KVDQSGSYOUOTFN-CVEARBPZSA-N 1 2 438.598 0.975 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001541194642 1071765345 /nfs/dbraw/zinc/76/53/45/1071765345.db2.gz KVDQSGSYOUOTFN-HOTGVXAUSA-N 1 2 438.598 0.975 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001541194643 1071765454 /nfs/dbraw/zinc/76/54/54/1071765454.db2.gz KVDQSGSYOUOTFN-HZPDHXFCSA-N 1 2 438.598 0.975 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001541194644 1071765441 /nfs/dbraw/zinc/76/54/41/1071765441.db2.gz KVDQSGSYOUOTFN-JKSUJKDBSA-N 1 2 438.598 0.975 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001541194822 1071766035 /nfs/dbraw/zinc/76/60/35/1071766035.db2.gz RBBABAGPDKHFMJ-HZPDHXFCSA-N 1 2 427.571 0.516 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001541194823 1071765974 /nfs/dbraw/zinc/76/59/74/1071765974.db2.gz RBBABAGPDKHFMJ-JKSUJKDBSA-N 1 2 427.571 0.516 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001541195284 1071766107 /nfs/dbraw/zinc/76/61/07/1071766107.db2.gz JMBPIWSQCZBYDP-INIZCTEOSA-N 1 2 438.598 0.756 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001541195285 1071765957 /nfs/dbraw/zinc/76/59/57/1071765957.db2.gz JMBPIWSQCZBYDP-MRXNPFEDSA-N 1 2 438.598 0.756 20 0 ICADLO CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001541238359 1071770346 /nfs/dbraw/zinc/77/03/46/1071770346.db2.gz BODOQJDRECAGTK-INIZCTEOSA-N 1 2 433.557 0.327 20 0 ICADLO CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCOCC1 ZINC001541238473 1071770334 /nfs/dbraw/zinc/77/03/34/1071770334.db2.gz GHMPLHOQCSPGKO-UHFFFAOYSA-N 1 2 433.557 0.327 20 0 ICADLO CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1)[NH+]1CCOCC1 ZINC001541241886 1071770463 /nfs/dbraw/zinc/77/04/63/1071770463.db2.gz OQFQYBRVSWQWMG-INIZCTEOSA-N 1 2 442.586 0.322 20 0 ICADLO CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1)[NH+]1CCOCC1 ZINC001541241887 1071770365 /nfs/dbraw/zinc/77/03/65/1071770365.db2.gz OQFQYBRVSWQWMG-MRXNPFEDSA-N 1 2 442.586 0.322 20 0 ICADLO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001541260505 1071772897 /nfs/dbraw/zinc/77/28/97/1071772897.db2.gz KDNBSLRVZWICHC-MSOLQXFVSA-N 1 2 447.584 0.645 20 0 ICADLO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001541260505 1071772888 /nfs/dbraw/zinc/77/28/88/1071772888.db2.gz KDNBSLRVZWICHC-MSOLQXFVSA-N 1 2 447.584 0.645 20 0 ICADLO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001541260506 1071772969 /nfs/dbraw/zinc/77/29/69/1071772969.db2.gz KDNBSLRVZWICHC-QZTJIDSGSA-N 1 2 447.584 0.645 20 0 ICADLO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001541260506 1071772966 /nfs/dbraw/zinc/77/29/66/1071772966.db2.gz KDNBSLRVZWICHC-QZTJIDSGSA-N 1 2 447.584 0.645 20 0 ICADLO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001541260507 1071773034 /nfs/dbraw/zinc/77/30/34/1071773034.db2.gz KDNBSLRVZWICHC-ROUUACIJSA-N 1 2 447.584 0.645 20 0 ICADLO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001541260507 1071773031 /nfs/dbraw/zinc/77/30/31/1071773031.db2.gz KDNBSLRVZWICHC-ROUUACIJSA-N 1 2 447.584 0.645 20 0 ICADLO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001541260508 1071772919 /nfs/dbraw/zinc/77/29/19/1071772919.db2.gz KDNBSLRVZWICHC-ZWKOTPCHSA-N 1 2 447.584 0.645 20 0 ICADLO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001541260508 1071772914 /nfs/dbraw/zinc/77/29/14/1071772914.db2.gz KDNBSLRVZWICHC-ZWKOTPCHSA-N 1 2 447.584 0.645 20 0 ICADLO CC(C)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001541264378 1071775261 /nfs/dbraw/zinc/77/52/61/1071775261.db2.gz POPWIGJIOLUYGG-GOSISDBHSA-N 1 2 447.584 0.426 20 0 ICADLO CC(C)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001541264379 1071775165 /nfs/dbraw/zinc/77/51/65/1071775165.db2.gz POPWIGJIOLUYGG-SFHVURJKSA-N 1 2 447.584 0.426 20 0 ICADLO CC(C)c1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001541324100 1071786516 /nfs/dbraw/zinc/78/65/16/1071786516.db2.gz HNOQWVDWOOHCSW-UHFFFAOYSA-N 1 2 443.552 0.976 20 0 ICADLO CC(C)c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001541330681 1071786461 /nfs/dbraw/zinc/78/64/61/1071786461.db2.gz IRQKJXMBORHOBI-UHFFFAOYSA-N 1 2 437.570 0.667 20 0 ICADLO CC(C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001541344511 1071787837 /nfs/dbraw/zinc/78/78/37/1071787837.db2.gz MTLHFBKMZTVBBY-INIZCTEOSA-N 1 2 428.603 0.982 20 0 ICADLO CC(C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001541344512 1071787910 /nfs/dbraw/zinc/78/79/10/1071787910.db2.gz MTLHFBKMZTVBBY-MRXNPFEDSA-N 1 2 428.603 0.982 20 0 ICADLO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541361766 1071789994 /nfs/dbraw/zinc/78/99/94/1071789994.db2.gz RTRNCZCPOSNJBC-MSOLQXFVSA-N 1 2 433.601 0.911 20 0 ICADLO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541361766 1071789978 /nfs/dbraw/zinc/78/99/78/1071789978.db2.gz RTRNCZCPOSNJBC-MSOLQXFVSA-N 1 2 433.601 0.911 20 0 ICADLO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541361767 1071790176 /nfs/dbraw/zinc/79/01/76/1071790176.db2.gz RTRNCZCPOSNJBC-QZTJIDSGSA-N 1 2 433.601 0.911 20 0 ICADLO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541361767 1071790164 /nfs/dbraw/zinc/79/01/64/1071790164.db2.gz RTRNCZCPOSNJBC-QZTJIDSGSA-N 1 2 433.601 0.911 20 0 ICADLO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541361768 1071790060 /nfs/dbraw/zinc/79/00/60/1071790060.db2.gz RTRNCZCPOSNJBC-ROUUACIJSA-N 1 2 433.601 0.911 20 0 ICADLO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541361768 1071790045 /nfs/dbraw/zinc/79/00/45/1071790045.db2.gz RTRNCZCPOSNJBC-ROUUACIJSA-N 1 2 433.601 0.911 20 0 ICADLO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541361769 1071790278 /nfs/dbraw/zinc/79/02/78/1071790278.db2.gz RTRNCZCPOSNJBC-ZWKOTPCHSA-N 1 2 433.601 0.911 20 0 ICADLO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541361769 1071790265 /nfs/dbraw/zinc/79/02/65/1071790265.db2.gz RTRNCZCPOSNJBC-ZWKOTPCHSA-N 1 2 433.601 0.911 20 0 ICADLO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001541365187 1071790987 /nfs/dbraw/zinc/79/09/87/1071790987.db2.gz LDWYSNMESMCUQY-IBGZPJMESA-N 1 2 433.601 0.867 20 0 ICADLO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001541365188 1071790747 /nfs/dbraw/zinc/79/07/47/1071790747.db2.gz LDWYSNMESMCUQY-LJQANCHMSA-N 1 2 433.601 0.867 20 0 ICADLO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541365406 1071790857 /nfs/dbraw/zinc/79/08/57/1071790857.db2.gz STNHEYCDZBLIRK-IBGZPJMESA-N 1 2 433.601 0.867 20 0 ICADLO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541365406 1071790847 /nfs/dbraw/zinc/79/08/47/1071790847.db2.gz STNHEYCDZBLIRK-IBGZPJMESA-N 1 2 433.601 0.867 20 0 ICADLO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541365407 1071790724 /nfs/dbraw/zinc/79/07/24/1071790724.db2.gz STNHEYCDZBLIRK-LJQANCHMSA-N 1 2 433.601 0.867 20 0 ICADLO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541365407 1071790717 /nfs/dbraw/zinc/79/07/17/1071790717.db2.gz STNHEYCDZBLIRK-LJQANCHMSA-N 1 2 433.601 0.867 20 0 ICADLO CC(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541448744 1071794735 /nfs/dbraw/zinc/79/47/35/1071794735.db2.gz BNPLTZIVLRQJJV-KRWDZBQOSA-N 1 2 442.630 0.963 20 0 ICADLO CC(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541448744 1071794726 /nfs/dbraw/zinc/79/47/26/1071794726.db2.gz BNPLTZIVLRQJJV-KRWDZBQOSA-N 1 2 442.630 0.963 20 0 ICADLO CC(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541448745 1071794943 /nfs/dbraw/zinc/79/49/43/1071794943.db2.gz BNPLTZIVLRQJJV-QGZVFWFLSA-N 1 2 442.630 0.963 20 0 ICADLO CC(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541448745 1071794932 /nfs/dbraw/zinc/79/49/32/1071794932.db2.gz BNPLTZIVLRQJJV-QGZVFWFLSA-N 1 2 442.630 0.963 20 0 ICADLO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541466966 1071795961 /nfs/dbraw/zinc/79/59/61/1071795961.db2.gz BYEDSIQXSOLOLT-KRWDZBQOSA-N 1 2 447.584 0.125 20 0 ICADLO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541466966 1071795956 /nfs/dbraw/zinc/79/59/56/1071795956.db2.gz BYEDSIQXSOLOLT-KRWDZBQOSA-N 1 2 447.584 0.125 20 0 ICADLO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541466967 1071796047 /nfs/dbraw/zinc/79/60/47/1071796047.db2.gz BYEDSIQXSOLOLT-QGZVFWFLSA-N 1 2 447.584 0.125 20 0 ICADLO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541466967 1071796041 /nfs/dbraw/zinc/79/60/41/1071796041.db2.gz BYEDSIQXSOLOLT-QGZVFWFLSA-N 1 2 447.584 0.125 20 0 ICADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCn1cnnn1 ZINC001541469262 1071797322 /nfs/dbraw/zinc/79/73/22/1071797322.db2.gz HNIVBJITGSMTPP-GOSISDBHSA-N 1 2 444.588 0.686 20 0 ICADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCn1cnnn1 ZINC001541469263 1071797037 /nfs/dbraw/zinc/79/70/37/1071797037.db2.gz HNIVBJITGSMTPP-SFHVURJKSA-N 1 2 444.588 0.686 20 0 ICADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1nncn1C ZINC001541469840 1071797248 /nfs/dbraw/zinc/79/72/48/1071797248.db2.gz WGCJHLAOXOVCJB-KRWDZBQOSA-N 1 2 429.573 0.786 20 0 ICADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1nncn1C ZINC001541469841 1071796996 /nfs/dbraw/zinc/79/69/96/1071796996.db2.gz WGCJHLAOXOVCJB-QGZVFWFLSA-N 1 2 429.573 0.786 20 0 ICADLO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541473536 1071798588 /nfs/dbraw/zinc/79/85/88/1071798588.db2.gz TVZCVRUKBSLAEW-FQEVSTJZSA-N 1 2 447.628 0.942 20 0 ICADLO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541473536 1071798581 /nfs/dbraw/zinc/79/85/81/1071798581.db2.gz TVZCVRUKBSLAEW-FQEVSTJZSA-N 1 2 447.628 0.942 20 0 ICADLO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541473537 1071798345 /nfs/dbraw/zinc/79/83/45/1071798345.db2.gz TVZCVRUKBSLAEW-HXUWFJFHSA-N 1 2 447.628 0.942 20 0 ICADLO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541473537 1071798332 /nfs/dbraw/zinc/79/83/32/1071798332.db2.gz TVZCVRUKBSLAEW-HXUWFJFHSA-N 1 2 447.628 0.942 20 0 ICADLO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1nncn1C ZINC001541475619 1071798461 /nfs/dbraw/zinc/79/84/61/1071798461.db2.gz JPQRPKFVZSMTDV-IBGZPJMESA-N 1 2 445.616 0.885 20 0 ICADLO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1nncn1C ZINC001541475620 1071798259 /nfs/dbraw/zinc/79/82/59/1071798259.db2.gz JPQRPKFVZSMTDV-LJQANCHMSA-N 1 2 445.616 0.885 20 0 ICADLO CC(C)C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001541554770 1071804323 /nfs/dbraw/zinc/80/43/23/1071804323.db2.gz QTMXHHUERAEBHG-KRWDZBQOSA-N 1 2 438.598 0.727 20 0 ICADLO CC(C)C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001541554771 1071804101 /nfs/dbraw/zinc/80/41/01/1071804101.db2.gz QTMXHHUERAEBHG-QGZVFWFLSA-N 1 2 438.598 0.727 20 0 ICADLO CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1=O ZINC001541560962 1071806925 /nfs/dbraw/zinc/80/69/25/1071806925.db2.gz INNSAYSQSPXWGP-BZSNNMDCSA-N 1 2 447.584 0.643 20 0 ICADLO CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)[C@H](C)C1=O ZINC001541560963 1071806578 /nfs/dbraw/zinc/80/65/78/1071806578.db2.gz INNSAYSQSPXWGP-KSZLIROESA-N 1 2 447.584 0.643 20 0 ICADLO CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)[C@H](C)C1=O ZINC001541560964 1071806660 /nfs/dbraw/zinc/80/66/60/1071806660.db2.gz INNSAYSQSPXWGP-KURKYZTESA-N 1 2 447.584 0.643 20 0 ICADLO CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1=O ZINC001541560965 1071806898 /nfs/dbraw/zinc/80/68/98/1071806898.db2.gz INNSAYSQSPXWGP-SQNIBIBYSA-N 1 2 447.584 0.643 20 0 ICADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)CC1 ZINC001541563696 1071808575 /nfs/dbraw/zinc/80/85/75/1071808575.db2.gz VLVNZUOXXBGMGC-IRXDYDNUSA-N 1 2 427.571 0.374 20 0 ICADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)CC1 ZINC001541563697 1071808630 /nfs/dbraw/zinc/80/86/30/1071808630.db2.gz VLVNZUOXXBGMGC-SJORKVTESA-N 1 2 427.571 0.374 20 0 ICADLO CC(C)C[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001541564349 1071808844 /nfs/dbraw/zinc/80/88/44/1071808844.db2.gz LAUAOAGPVZGPSE-NRFANRHFSA-N 1 2 448.593 0.592 20 0 ICADLO CC(C)C[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001541564350 1071808770 /nfs/dbraw/zinc/80/87/70/1071808770.db2.gz LAUAOAGPVZGPSE-OAQYLSRUSA-N 1 2 448.593 0.592 20 0 ICADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccn3C)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001541568606 1071809315 /nfs/dbraw/zinc/80/93/15/1071809315.db2.gz YMRRVWLSYOPEIK-KRWDZBQOSA-N 1 2 436.582 0.875 20 0 ICADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccn3C)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001541568606 1071809298 /nfs/dbraw/zinc/80/92/98/1071809298.db2.gz YMRRVWLSYOPEIK-KRWDZBQOSA-N 1 2 436.582 0.875 20 0 ICADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccn3C)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001541568607 1071809613 /nfs/dbraw/zinc/80/96/13/1071809613.db2.gz YMRRVWLSYOPEIK-QGZVFWFLSA-N 1 2 436.582 0.875 20 0 ICADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccn3C)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001541568607 1071809607 /nfs/dbraw/zinc/80/96/07/1071809607.db2.gz YMRRVWLSYOPEIK-QGZVFWFLSA-N 1 2 436.582 0.875 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001541627625 1071819047 /nfs/dbraw/zinc/81/90/47/1071819047.db2.gz XSAMIMRFKHBRRX-UHFFFAOYSA-N 1 2 438.598 0.869 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001541627664 1071818927 /nfs/dbraw/zinc/81/89/27/1071818927.db2.gz ZNTQKOGIBBBWCR-UHFFFAOYSA-N 1 2 438.598 0.869 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001541628490 1071818684 /nfs/dbraw/zinc/81/86/84/1071818684.db2.gz GBTKZOMKIROWPA-MSOLQXFVSA-N 1 2 440.614 0.431 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001541628491 1071818957 /nfs/dbraw/zinc/81/89/57/1071818957.db2.gz GBTKZOMKIROWPA-QZTJIDSGSA-N 1 2 440.614 0.431 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001541628492 1071819072 /nfs/dbraw/zinc/81/90/72/1071819072.db2.gz GBTKZOMKIROWPA-ROUUACIJSA-N 1 2 440.614 0.431 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001541628493 1071818808 /nfs/dbraw/zinc/81/88/08/1071818808.db2.gz GBTKZOMKIROWPA-ZWKOTPCHSA-N 1 2 440.614 0.431 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001541629076 1071818713 /nfs/dbraw/zinc/81/87/13/1071818713.db2.gz XJIWJNXGFOOWKH-APWZRJJASA-N 1 2 427.571 0.252 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001541629077 1071818940 /nfs/dbraw/zinc/81/89/40/1071818940.db2.gz XJIWJNXGFOOWKH-LPHOPBHVSA-N 1 2 427.571 0.252 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001541629078 1071819486 /nfs/dbraw/zinc/81/94/86/1071819486.db2.gz XJIWJNXGFOOWKH-QFBILLFUSA-N 1 2 427.571 0.252 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001541629079 1071819791 /nfs/dbraw/zinc/81/97/91/1071819791.db2.gz XJIWJNXGFOOWKH-VQIMIIECSA-N 1 2 427.571 0.252 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 ZINC001541629189 1071819779 /nfs/dbraw/zinc/81/97/79/1071819779.db2.gz YKSCZRQUDUKZTO-GOSISDBHSA-N 1 2 446.577 0.858 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 ZINC001541629191 1071819520 /nfs/dbraw/zinc/81/95/20/1071819520.db2.gz YKSCZRQUDUKZTO-SFHVURJKSA-N 1 2 446.577 0.858 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001541629444 1071819718 /nfs/dbraw/zinc/81/97/18/1071819718.db2.gz LAFNCFUWHLOBBY-KRWDZBQOSA-N 1 2 438.598 0.756 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001541629445 1071819604 /nfs/dbraw/zinc/81/96/04/1071819604.db2.gz LAFNCFUWHLOBBY-QGZVFWFLSA-N 1 2 438.598 0.756 20 0 ICADLO CC(C)N1CC[NH+]([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCC(=O)N(C)C)C2)CC1 ZINC001541629957 1071819637 /nfs/dbraw/zinc/81/96/37/1071819637.db2.gz GGUAEXGQMFFGQZ-IBGZPJMESA-N 1 2 443.600 0.762 20 0 ICADLO CC(C)N1CC[NH+]([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCC(=O)N(C)C)C2)CC1 ZINC001541629958 1071819823 /nfs/dbraw/zinc/81/98/23/1071819823.db2.gz GGUAEXGQMFFGQZ-LJQANCHMSA-N 1 2 443.600 0.762 20 0 ICADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3Cc3cnnn3C)CC2)C1 ZINC001541630511 1071819671 /nfs/dbraw/zinc/81/96/71/1071819671.db2.gz FZIKNIVANNIRDR-IBGZPJMESA-N 1 2 445.616 0.984 20 0 ICADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3Cc3cnnn3C)CC2)C1 ZINC001541630517 1071819812 /nfs/dbraw/zinc/81/98/12/1071819812.db2.gz FZIKNIVANNIRDR-LJQANCHMSA-N 1 2 445.616 0.984 20 0 ICADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc(C(C)C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001541631398 1071820484 /nfs/dbraw/zinc/82/04/84/1071820484.db2.gz AWSLDZVHSLTOHR-KRWDZBQOSA-N 1 2 435.573 0.295 20 0 ICADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001541631399 1071820268 /nfs/dbraw/zinc/82/02/68/1071820268.db2.gz AWSLDZVHSLTOHR-QGZVFWFLSA-N 1 2 435.573 0.295 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC(N)=O)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001541634523 1071824052 /nfs/dbraw/zinc/82/40/52/1071824052.db2.gz JXCQOHHVHBJXHN-HNNXBMFYSA-N 1 2 444.540 0.396 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC(N)=O)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001541634524 1071824079 /nfs/dbraw/zinc/82/40/79/1071824079.db2.gz JXCQOHHVHBJXHN-OAHLLOKOSA-N 1 2 444.540 0.396 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cccc2c1OCO2 ZINC001541642390 1071826100 /nfs/dbraw/zinc/82/61/00/1071826100.db2.gz GGXYGIPJWHSZGZ-UHFFFAOYSA-N 1 2 430.509 0.962 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CC[C@]2(CCOC2)O1 ZINC001541643044 1071827103 /nfs/dbraw/zinc/82/71/03/1071827103.db2.gz DZZPGZOAVHDKSF-DYESRHJHSA-N 1 2 436.557 0.523 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 ZINC001541643045 1071826969 /nfs/dbraw/zinc/82/69/69/1071826969.db2.gz DZZPGZOAVHDKSF-LAUBAEHRSA-N 1 2 436.557 0.523 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 ZINC001541643046 1071826784 /nfs/dbraw/zinc/82/67/84/1071826784.db2.gz DZZPGZOAVHDKSF-UTKZUKDTSA-N 1 2 436.557 0.523 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 ZINC001541643047 1071827023 /nfs/dbraw/zinc/82/70/23/1071827023.db2.gz DZZPGZOAVHDKSF-UWJYYQICSA-N 1 2 436.557 0.523 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CCNC(=O)C(C)C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541643081 1071827137 /nfs/dbraw/zinc/82/71/37/1071827137.db2.gz GQLDYXGKQXMLBE-UHFFFAOYSA-N 1 2 437.589 0.736 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CCNC(=O)C(C)C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541643081 1071827131 /nfs/dbraw/zinc/82/71/31/1071827131.db2.gz GQLDYXGKQXMLBE-UHFFFAOYSA-N 1 2 437.589 0.736 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ncnn1C(C)(C)C ZINC001541643280 1071827672 /nfs/dbraw/zinc/82/76/72/1071827672.db2.gz OINKSYITLJOUHD-UHFFFAOYSA-N 1 2 433.561 0.580 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCNC(=O)c1cccs1 ZINC001541643414 1071827500 /nfs/dbraw/zinc/82/75/00/1071827500.db2.gz TYHCDEBVTYBWOD-UHFFFAOYSA-N 1 2 449.581 0.676 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCC(CC(N)=O)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001541655507 1071832849 /nfs/dbraw/zinc/83/28/49/1071832849.db2.gz BVDORHCKXFNPNW-UHFFFAOYSA-N 1 2 435.573 0.619 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001541657700 1071834543 /nfs/dbraw/zinc/83/45/43/1071834543.db2.gz RNQXHBCNTRGJNV-KRWDZBQOSA-N 1 2 447.584 0.728 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001541657700 1071834530 /nfs/dbraw/zinc/83/45/30/1071834530.db2.gz RNQXHBCNTRGJNV-KRWDZBQOSA-N 1 2 447.584 0.728 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001541657701 1071834369 /nfs/dbraw/zinc/83/43/69/1071834369.db2.gz RNQXHBCNTRGJNV-QGZVFWFLSA-N 1 2 447.584 0.728 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001541657701 1071834355 /nfs/dbraw/zinc/83/43/55/1071834355.db2.gz RNQXHBCNTRGJNV-QGZVFWFLSA-N 1 2 447.584 0.728 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541661202 1071838323 /nfs/dbraw/zinc/83/83/23/1071838323.db2.gz XCNKZLQOTWQNLO-UHFFFAOYSA-N 1 2 449.581 0.939 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541661823 1071838998 /nfs/dbraw/zinc/83/89/98/1071838998.db2.gz PSMCWHPFEBVLSY-NRFANRHFSA-N 1 2 426.525 0.642 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541661824 1071838976 /nfs/dbraw/zinc/83/89/76/1071838976.db2.gz PSMCWHPFEBVLSY-OAQYLSRUSA-N 1 2 426.525 0.642 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001541662041 1071839526 /nfs/dbraw/zinc/83/95/26/1071839526.db2.gz WOTOSLYGLCGRRJ-JOCHJYFZSA-N 1 2 440.552 0.918 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@]1(C)CN(C)C1=O ZINC001541662042 1071839587 /nfs/dbraw/zinc/83/95/87/1071839587.db2.gz WOTOSLYGLCGRRJ-QFIPXVFZSA-N 1 2 440.552 0.918 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541662078 1071839619 /nfs/dbraw/zinc/83/96/19/1071839619.db2.gz XOFGQRDFFNYGHF-DLBZAZTESA-N 1 2 443.552 0.980 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCCOCC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001541671299 1071844677 /nfs/dbraw/zinc/84/46/77/1071844677.db2.gz XJQONXLJJJNUEX-UHFFFAOYSA-N 1 2 429.525 0.923 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001541674452 1071848168 /nfs/dbraw/zinc/84/81/68/1071848168.db2.gz AFHBJCGTUMEHEX-UHFFFAOYSA-N 1 2 447.565 0.715 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC(=O)NCC(F)F ZINC001541674862 1071848382 /nfs/dbraw/zinc/84/83/82/1071848382.db2.gz PTNDQMUWDCLOIL-UHFFFAOYSA-N 1 2 436.467 0.519 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001541674881 1071848282 /nfs/dbraw/zinc/84/82/82/1071848282.db2.gz QHVWPTHAJYDMMA-NRFANRHFSA-N 1 2 426.525 0.616 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001541674882 1071848137 /nfs/dbraw/zinc/84/81/37/1071848137.db2.gz QHVWPTHAJYDMMA-OAQYLSRUSA-N 1 2 426.525 0.616 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001541675150 1071849175 /nfs/dbraw/zinc/84/91/75/1071849175.db2.gz APELYYGLMUIBLB-UHFFFAOYSA-N 1 2 438.598 0.916 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001541677863 1071852306 /nfs/dbraw/zinc/85/23/06/1071852306.db2.gz LQRQJMUFRFDQGZ-HNNXBMFYSA-N 1 2 435.529 0.168 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001541677863 1071852289 /nfs/dbraw/zinc/85/22/89/1071852289.db2.gz LQRQJMUFRFDQGZ-HNNXBMFYSA-N 1 2 435.529 0.168 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001541677864 1071852454 /nfs/dbraw/zinc/85/24/54/1071852454.db2.gz LQRQJMUFRFDQGZ-OAHLLOKOSA-N 1 2 435.529 0.168 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001541677864 1071852439 /nfs/dbraw/zinc/85/24/39/1071852439.db2.gz LQRQJMUFRFDQGZ-OAHLLOKOSA-N 1 2 435.529 0.168 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541682729 1071857353 /nfs/dbraw/zinc/85/73/53/1071857353.db2.gz UJARCJDPTAEBFB-NRFANRHFSA-N 1 2 436.557 0.523 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541682729 1071857343 /nfs/dbraw/zinc/85/73/43/1071857343.db2.gz UJARCJDPTAEBFB-NRFANRHFSA-N 1 2 436.557 0.523 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541682730 1071857279 /nfs/dbraw/zinc/85/72/79/1071857279.db2.gz UJARCJDPTAEBFB-OAQYLSRUSA-N 1 2 436.557 0.523 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541682730 1071857270 /nfs/dbraw/zinc/85/72/70/1071857270.db2.gz UJARCJDPTAEBFB-OAQYLSRUSA-N 1 2 436.557 0.523 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCOCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001541682821 1071857897 /nfs/dbraw/zinc/85/78/97/1071857897.db2.gz XDXCQFBYQSSLJJ-INIZCTEOSA-N 1 2 429.525 0.921 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCOCC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001541682822 1071857787 /nfs/dbraw/zinc/85/77/87/1071857787.db2.gz XDXCQFBYQSSLJJ-MRXNPFEDSA-N 1 2 429.525 0.921 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001541684855 1071859427 /nfs/dbraw/zinc/85/94/27/1071859427.db2.gz KBRKZQYTCXPMAQ-SJORKVTESA-N 1 2 447.584 0.490 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001541684855 1071859414 /nfs/dbraw/zinc/85/94/14/1071859414.db2.gz KBRKZQYTCXPMAQ-SJORKVTESA-N 1 2 447.584 0.490 20 0 ICADLO CC(C)NC(=O)CN1CCN(c2nnc(C(C)C)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001541703980 1071870394 /nfs/dbraw/zinc/87/03/94/1071870394.db2.gz FURCHPDUGMEXFD-UHFFFAOYSA-N 1 2 433.601 0.913 20 0 ICADLO CC(C)NS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001541711521 1071874944 /nfs/dbraw/zinc/87/49/44/1071874944.db2.gz YXPTZSZNTTXXJJ-UHFFFAOYSA-N 1 2 437.570 0.436 20 0 ICADLO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001541715563 1071877414 /nfs/dbraw/zinc/87/74/14/1071877414.db2.gz PDGNDMFENFGSNZ-CBGDNZLLSA-N 1 2 438.573 0.740 20 0 ICADLO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001541715563 1071877408 /nfs/dbraw/zinc/87/74/08/1071877408.db2.gz PDGNDMFENFGSNZ-CBGDNZLLSA-N 1 2 438.573 0.740 20 0 ICADLO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001541715564 1071877469 /nfs/dbraw/zinc/87/74/69/1071877469.db2.gz PDGNDMFENFGSNZ-CSODHUTKSA-N 1 2 438.573 0.740 20 0 ICADLO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001541715564 1071877462 /nfs/dbraw/zinc/87/74/62/1071877462.db2.gz PDGNDMFENFGSNZ-CSODHUTKSA-N 1 2 438.573 0.740 20 0 ICADLO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001541715565 1071877552 /nfs/dbraw/zinc/87/75/52/1071877552.db2.gz PDGNDMFENFGSNZ-LLGFUMIMSA-N 1 2 438.573 0.740 20 0 ICADLO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001541715565 1071877547 /nfs/dbraw/zinc/87/75/47/1071877547.db2.gz PDGNDMFENFGSNZ-LLGFUMIMSA-N 1 2 438.573 0.740 20 0 ICADLO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001541715566 1071877483 /nfs/dbraw/zinc/87/74/83/1071877483.db2.gz PDGNDMFENFGSNZ-XGHQBKJUSA-N 1 2 438.573 0.740 20 0 ICADLO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001541715566 1071877480 /nfs/dbraw/zinc/87/74/80/1071877480.db2.gz PDGNDMFENFGSNZ-XGHQBKJUSA-N 1 2 438.573 0.740 20 0 ICADLO CC(C)O[C@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001541732726 1071881287 /nfs/dbraw/zinc/88/12/87/1071881287.db2.gz GOJOXXDKSAAPTC-DYESRHJHSA-N 1 2 436.557 0.366 20 0 ICADLO CC(C)O[C@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001541732727 1071881074 /nfs/dbraw/zinc/88/10/74/1071881074.db2.gz GOJOXXDKSAAPTC-LAUBAEHRSA-N 1 2 436.557 0.366 20 0 ICADLO CC(C)O[C@@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001541732728 1071881310 /nfs/dbraw/zinc/88/13/10/1071881310.db2.gz GOJOXXDKSAAPTC-UTKZUKDTSA-N 1 2 436.557 0.366 20 0 ICADLO CC(C)O[C@@]1(c2nnc(N3CCNC(=O)CC3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001541732729 1071881173 /nfs/dbraw/zinc/88/11/73/1071881173.db2.gz GOJOXXDKSAAPTC-UWJYYQICSA-N 1 2 436.557 0.366 20 0 ICADLO CC(C)OC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001541746010 1071883771 /nfs/dbraw/zinc/88/37/71/1071883771.db2.gz QQTRHUTYPFDHAG-BZSNNMDCSA-N 1 2 436.557 0.580 20 0 ICADLO CC(C)OC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001541746010 1071883762 /nfs/dbraw/zinc/88/37/62/1071883762.db2.gz QQTRHUTYPFDHAG-BZSNNMDCSA-N 1 2 436.557 0.580 20 0 ICADLO CC(C)OC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001541746011 1071883951 /nfs/dbraw/zinc/88/39/51/1071883951.db2.gz QQTRHUTYPFDHAG-FGTMMUONSA-N 1 2 436.557 0.580 20 0 ICADLO CC(C)OC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001541746011 1071883940 /nfs/dbraw/zinc/88/39/40/1071883940.db2.gz QQTRHUTYPFDHAG-FGTMMUONSA-N 1 2 436.557 0.580 20 0 ICADLO CC(C)OC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001541746012 1071883879 /nfs/dbraw/zinc/88/38/79/1071883879.db2.gz QQTRHUTYPFDHAG-OKZBNKHCSA-N 1 2 436.557 0.580 20 0 ICADLO CC(C)OC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001541746012 1071883871 /nfs/dbraw/zinc/88/38/71/1071883871.db2.gz QQTRHUTYPFDHAG-OKZBNKHCSA-N 1 2 436.557 0.580 20 0 ICADLO CC(C)OC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001541746013 1071883662 /nfs/dbraw/zinc/88/36/62/1071883662.db2.gz QQTRHUTYPFDHAG-SQNIBIBYSA-N 1 2 436.557 0.580 20 0 ICADLO CC(C)OC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001541746013 1071883647 /nfs/dbraw/zinc/88/36/47/1071883647.db2.gz QQTRHUTYPFDHAG-SQNIBIBYSA-N 1 2 436.557 0.580 20 0 ICADLO CC(C)OCCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001541760423 1071886024 /nfs/dbraw/zinc/88/60/24/1071886024.db2.gz PJBBIUPGHOVBKJ-UHFFFAOYSA-N 1 2 430.557 0.848 20 0 ICADLO CC(C)OCCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001541761270 1071886645 /nfs/dbraw/zinc/88/66/45/1071886645.db2.gz QMSRUVRXBRHFCV-INIZCTEOSA-N 1 2 428.541 0.949 20 0 ICADLO CC(C)OCCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001541761271 1071886503 /nfs/dbraw/zinc/88/65/03/1071886503.db2.gz QMSRUVRXBRHFCV-MRXNPFEDSA-N 1 2 428.541 0.949 20 0 ICADLO CC(C)OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001541761624 1071886662 /nfs/dbraw/zinc/88/66/62/1071886662.db2.gz ANTHQGZSAPNROQ-MSOLQXFVSA-N 1 2 441.598 0.764 20 0 ICADLO CC(C)OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001541761625 1071886484 /nfs/dbraw/zinc/88/64/84/1071886484.db2.gz ANTHQGZSAPNROQ-QZTJIDSGSA-N 1 2 441.598 0.764 20 0 ICADLO CC(C)OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001541761626 1071886422 /nfs/dbraw/zinc/88/64/22/1071886422.db2.gz ANTHQGZSAPNROQ-ROUUACIJSA-N 1 2 441.598 0.764 20 0 ICADLO CC(C)OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001541761627 1071886597 /nfs/dbraw/zinc/88/65/97/1071886597.db2.gz ANTHQGZSAPNROQ-ZWKOTPCHSA-N 1 2 441.598 0.764 20 0 ICADLO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001541848953 1071897665 /nfs/dbraw/zinc/89/76/65/1071897665.db2.gz QTFGRBHAORDBTL-CABCVRRESA-N 1 2 445.490 0.634 20 0 ICADLO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001541848954 1071897570 /nfs/dbraw/zinc/89/75/70/1071897570.db2.gz QTFGRBHAORDBTL-GJZGRUSLSA-N 1 2 445.490 0.634 20 0 ICADLO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001541848955 1071897835 /nfs/dbraw/zinc/89/78/35/1071897835.db2.gz QTFGRBHAORDBTL-HUUCEWRRSA-N 1 2 445.490 0.634 20 0 ICADLO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001541848956 1071897948 /nfs/dbraw/zinc/89/79/48/1071897948.db2.gz QTFGRBHAORDBTL-LSDHHAIUSA-N 1 2 445.490 0.634 20 0 ICADLO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1)[NH+](C)C ZINC001541855677 1071899503 /nfs/dbraw/zinc/89/95/03/1071899503.db2.gz LIQOQCFOTTVIQU-FGTMMUONSA-N 1 2 440.614 0.289 20 0 ICADLO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001541855678 1071900391 /nfs/dbraw/zinc/90/03/91/1071900391.db2.gz LIQOQCFOTTVIQU-KURKYZTESA-N 1 2 440.614 0.289 20 0 ICADLO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001541855679 1071900307 /nfs/dbraw/zinc/90/03/07/1071900307.db2.gz LIQOQCFOTTVIQU-KZNAEPCWSA-N 1 2 440.614 0.289 20 0 ICADLO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1)[NH+](C)C ZINC001541855680 1071900245 /nfs/dbraw/zinc/90/02/45/1071900245.db2.gz LIQOQCFOTTVIQU-SQNIBIBYSA-N 1 2 440.614 0.289 20 0 ICADLO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC001541870725 1071902078 /nfs/dbraw/zinc/90/20/78/1071902078.db2.gz QOJOIBGYVWBYBJ-QZTJIDSGSA-N 1 2 435.573 0.061 20 0 ICADLO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC001541870726 1071902018 /nfs/dbraw/zinc/90/20/18/1071902018.db2.gz QOJOIBGYVWBYBJ-ZWKOTPCHSA-N 1 2 435.573 0.061 20 0 ICADLO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001541870763 1071902028 /nfs/dbraw/zinc/90/20/28/1071902028.db2.gz RHBQVXFWONEMFX-DOTOQJQBSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001541870764 1071902464 /nfs/dbraw/zinc/90/24/64/1071902464.db2.gz RHBQVXFWONEMFX-NVXWUHKLSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNc1cccc[nH+]1 ZINC001541891443 1071906683 /nfs/dbraw/zinc/90/66/83/1071906683.db2.gz JZCLBAMHYLXKGD-CABCVRRESA-N 1 2 435.554 0.996 20 0 ICADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNc1cccc[nH+]1 ZINC001541891444 1071906699 /nfs/dbraw/zinc/90/66/99/1071906699.db2.gz JZCLBAMHYLXKGD-GJZGRUSLSA-N 1 2 435.554 0.996 20 0 ICADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNc1cccc[nH+]1 ZINC001541891445 1071906621 /nfs/dbraw/zinc/90/66/21/1071906621.db2.gz JZCLBAMHYLXKGD-HUUCEWRRSA-N 1 2 435.554 0.996 20 0 ICADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNc1cccc[nH+]1 ZINC001541891446 1071906592 /nfs/dbraw/zinc/90/65/92/1071906592.db2.gz JZCLBAMHYLXKGD-LSDHHAIUSA-N 1 2 435.554 0.996 20 0 ICADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cn2ccccc2[nH+]1 ZINC001541892377 1071907598 /nfs/dbraw/zinc/90/75/98/1071907598.db2.gz YIYMKXOEOHSLJI-GDBMZVCRSA-N 1 2 445.549 0.989 20 0 ICADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cn2ccccc2[nH+]1 ZINC001541892378 1071907655 /nfs/dbraw/zinc/90/76/55/1071907655.db2.gz YIYMKXOEOHSLJI-GOEBONIOSA-N 1 2 445.549 0.989 20 0 ICADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cn2ccccc2[nH+]1 ZINC001541892379 1071907587 /nfs/dbraw/zinc/90/75/87/1071907587.db2.gz YIYMKXOEOHSLJI-HOCLYGCPSA-N 1 2 445.549 0.989 20 0 ICADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cn2ccccc2[nH+]1 ZINC001541892380 1071907616 /nfs/dbraw/zinc/90/76/16/1071907616.db2.gz YIYMKXOEOHSLJI-ZBFHGGJFSA-N 1 2 445.549 0.989 20 0 ICADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541907781 1071909555 /nfs/dbraw/zinc/90/95/55/1071909555.db2.gz DXQRDSVXHPRXNM-CHWSQXEVSA-N 1 2 438.558 0.098 20 0 ICADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541907782 1071909525 /nfs/dbraw/zinc/90/95/25/1071909525.db2.gz DXQRDSVXHPRXNM-OLZOCXBDSA-N 1 2 438.558 0.098 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC(N)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541907783 1071909589 /nfs/dbraw/zinc/90/95/89/1071909589.db2.gz DXQRDSVXHPRXNM-QWHCGFSZSA-N 1 2 438.558 0.098 20 0 ICADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541907784 1071909606 /nfs/dbraw/zinc/90/96/06/1071909606.db2.gz DXQRDSVXHPRXNM-STQMWFEESA-N 1 2 438.558 0.098 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1CC1([NH+]2CCOCC2)CC1 ZINC001541910149 1071911605 /nfs/dbraw/zinc/91/16/05/1071911605.db2.gz QYTCALIIABJDCY-GFCCVEGCSA-N 1 2 440.492 0.752 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1CC1([NH+]2CCOCC2)CC1 ZINC001541910150 1071911631 /nfs/dbraw/zinc/91/16/31/1071911631.db2.gz QYTCALIIABJDCY-LBPRGKRZSA-N 1 2 440.492 0.752 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cscn2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541911941 1071913176 /nfs/dbraw/zinc/91/31/76/1071913176.db2.gz AEIFINBEYVWCNI-KBPBESRZSA-N 1 2 443.599 0.702 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cscn2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541911941 1071913166 /nfs/dbraw/zinc/91/31/66/1071913166.db2.gz AEIFINBEYVWCNI-KBPBESRZSA-N 1 2 443.599 0.702 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cscn2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541911942 1071913137 /nfs/dbraw/zinc/91/31/37/1071913137.db2.gz AEIFINBEYVWCNI-KGLIPLIRSA-N 1 2 443.599 0.702 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cscn2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541911942 1071913131 /nfs/dbraw/zinc/91/31/31/1071913131.db2.gz AEIFINBEYVWCNI-KGLIPLIRSA-N 1 2 443.599 0.702 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cscn2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541911943 1071912968 /nfs/dbraw/zinc/91/29/68/1071912968.db2.gz AEIFINBEYVWCNI-UONOGXRCSA-N 1 2 443.599 0.702 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cscn2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541911943 1071912961 /nfs/dbraw/zinc/91/29/61/1071912961.db2.gz AEIFINBEYVWCNI-UONOGXRCSA-N 1 2 443.599 0.702 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cscn2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541911944 1071913055 /nfs/dbraw/zinc/91/30/55/1071913055.db2.gz AEIFINBEYVWCNI-ZIAGYGMSSA-N 1 2 443.599 0.702 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cscn2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541911944 1071913051 /nfs/dbraw/zinc/91/30/51/1071913051.db2.gz AEIFINBEYVWCNI-ZIAGYGMSSA-N 1 2 443.599 0.702 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnccn2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541912755 1071913009 /nfs/dbraw/zinc/91/30/09/1071913009.db2.gz RRWCAKRKNDIABF-AWEZNQCLSA-N 1 2 445.553 0.824 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnccn2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541912756 1071913091 /nfs/dbraw/zinc/91/30/91/1071913091.db2.gz RRWCAKRKNDIABF-CQSZACIVSA-N 1 2 445.553 0.824 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccn2)n1CC1([NH+]2CCOCC2)CC1 ZINC001541913131 1071913521 /nfs/dbraw/zinc/91/35/21/1071913521.db2.gz ZBPBTPFGCLZJHJ-INIZCTEOSA-N 1 2 449.581 0.785 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccn2)n1CC1([NH+]2CCOCC2)CC1 ZINC001541913132 1071913473 /nfs/dbraw/zinc/91/34/73/1071913473.db2.gz ZBPBTPFGCLZJHJ-MRXNPFEDSA-N 1 2 449.581 0.785 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCCOC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541915467 1071915050 /nfs/dbraw/zinc/91/50/50/1071915050.db2.gz QFPYAVMBAZKNBU-IKGGRYGDSA-N 1 2 444.602 0.472 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCCOC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541915467 1071915049 /nfs/dbraw/zinc/91/50/49/1071915049.db2.gz QFPYAVMBAZKNBU-IKGGRYGDSA-N 1 2 444.602 0.472 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCOC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541915468 1071914943 /nfs/dbraw/zinc/91/49/43/1071914943.db2.gz QFPYAVMBAZKNBU-IXDOHACOSA-N 1 2 444.602 0.472 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCOC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541915468 1071914941 /nfs/dbraw/zinc/91/49/41/1071914941.db2.gz QFPYAVMBAZKNBU-IXDOHACOSA-N 1 2 444.602 0.472 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCCOC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541915469 1071915030 /nfs/dbraw/zinc/91/50/30/1071915030.db2.gz QFPYAVMBAZKNBU-ULQDDVLXSA-N 1 2 444.602 0.472 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCCOC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541915469 1071915024 /nfs/dbraw/zinc/91/50/24/1071915024.db2.gz QFPYAVMBAZKNBU-ULQDDVLXSA-N 1 2 444.602 0.472 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCOC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541915470 1071915018 /nfs/dbraw/zinc/91/50/18/1071915018.db2.gz QFPYAVMBAZKNBU-YESZJQIVSA-N 1 2 444.602 0.472 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCOC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541915470 1071915012 /nfs/dbraw/zinc/91/50/12/1071915012.db2.gz QFPYAVMBAZKNBU-YESZJQIVSA-N 1 2 444.602 0.472 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541916277 1071916338 /nfs/dbraw/zinc/91/63/38/1071916338.db2.gz FDRWTMLTRZRZEC-CABCVRRESA-N 1 2 430.575 0.919 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541916277 1071916337 /nfs/dbraw/zinc/91/63/37/1071916337.db2.gz FDRWTMLTRZRZEC-CABCVRRESA-N 1 2 430.575 0.919 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541916278 1071916297 /nfs/dbraw/zinc/91/62/97/1071916297.db2.gz FDRWTMLTRZRZEC-GJZGRUSLSA-N 1 2 430.575 0.919 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541916278 1071916292 /nfs/dbraw/zinc/91/62/92/1071916292.db2.gz FDRWTMLTRZRZEC-GJZGRUSLSA-N 1 2 430.575 0.919 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541916279 1071916412 /nfs/dbraw/zinc/91/64/12/1071916412.db2.gz FDRWTMLTRZRZEC-HUUCEWRRSA-N 1 2 430.575 0.919 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541916279 1071916410 /nfs/dbraw/zinc/91/64/10/1071916410.db2.gz FDRWTMLTRZRZEC-HUUCEWRRSA-N 1 2 430.575 0.919 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541916280 1071916354 /nfs/dbraw/zinc/91/63/54/1071916354.db2.gz FDRWTMLTRZRZEC-LSDHHAIUSA-N 1 2 430.575 0.919 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541916280 1071916349 /nfs/dbraw/zinc/91/63/49/1071916349.db2.gz FDRWTMLTRZRZEC-LSDHHAIUSA-N 1 2 430.575 0.919 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1CC(F)(F)C1 ZINC001541916635 1071916273 /nfs/dbraw/zinc/91/62/73/1071916273.db2.gz LTLRJXRHYXVGMB-CYBMUJFWSA-N 1 2 436.529 0.702 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1CC(F)(F)C1 ZINC001541916636 1071916257 /nfs/dbraw/zinc/91/62/57/1071916257.db2.gz LTLRJXRHYXVGMB-ZDUSSCGKSA-N 1 2 436.529 0.702 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@H]1CCOC1 ZINC001541931398 1071929235 /nfs/dbraw/zinc/92/92/35/1071929235.db2.gz ASMZSXYWRNSRSW-CABCVRRESA-N 1 2 449.581 0.949 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@H]1CCOC1 ZINC001541931399 1071929310 /nfs/dbraw/zinc/92/93/10/1071929310.db2.gz ASMZSXYWRNSRSW-GJZGRUSLSA-N 1 2 449.581 0.949 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@H]1CCOC1 ZINC001541931400 1071929213 /nfs/dbraw/zinc/92/92/13/1071929213.db2.gz ASMZSXYWRNSRSW-HUUCEWRRSA-N 1 2 449.581 0.949 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@H]1CCOC1 ZINC001541931401 1071929298 /nfs/dbraw/zinc/92/92/98/1071929298.db2.gz ASMZSXYWRNSRSW-LSDHHAIUSA-N 1 2 449.581 0.949 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC1(O)CC1 ZINC001541932210 1071929653 /nfs/dbraw/zinc/92/96/53/1071929653.db2.gz QJQKSSVOFSTLTP-CYBMUJFWSA-N 1 2 435.554 0.437 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC1(O)CC1 ZINC001541932211 1071929708 /nfs/dbraw/zinc/92/97/08/1071929708.db2.gz QJQKSSVOFSTLTP-ZDUSSCGKSA-N 1 2 435.554 0.437 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541939168 1071935918 /nfs/dbraw/zinc/93/59/18/1071935918.db2.gz SIPKQFHPUBOBBM-CVEARBPZSA-N 1 2 426.587 0.989 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541939168 1071935912 /nfs/dbraw/zinc/93/59/12/1071935912.db2.gz SIPKQFHPUBOBBM-CVEARBPZSA-N 1 2 426.587 0.989 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541939169 1071935987 /nfs/dbraw/zinc/93/59/87/1071935987.db2.gz SIPKQFHPUBOBBM-HOTGVXAUSA-N 1 2 426.587 0.989 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541939169 1071935986 /nfs/dbraw/zinc/93/59/86/1071935986.db2.gz SIPKQFHPUBOBBM-HOTGVXAUSA-N 1 2 426.587 0.989 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541939170 1071936007 /nfs/dbraw/zinc/93/60/07/1071936007.db2.gz SIPKQFHPUBOBBM-HZPDHXFCSA-N 1 2 426.587 0.989 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541939170 1071936003 /nfs/dbraw/zinc/93/60/03/1071936003.db2.gz SIPKQFHPUBOBBM-HZPDHXFCSA-N 1 2 426.587 0.989 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541939171 1071935887 /nfs/dbraw/zinc/93/58/87/1071935887.db2.gz SIPKQFHPUBOBBM-JKSUJKDBSA-N 1 2 426.587 0.989 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541939171 1071935885 /nfs/dbraw/zinc/93/58/85/1071935885.db2.gz SIPKQFHPUBOBBM-JKSUJKDBSA-N 1 2 426.587 0.989 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCc1cn[nH]c1 ZINC001541942779 1071938855 /nfs/dbraw/zinc/93/88/55/1071938855.db2.gz KEXAIWKVAWHVNE-HNNXBMFYSA-N 1 2 445.553 0.576 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCc1cn[nH]c1 ZINC001541942780 1071938806 /nfs/dbraw/zinc/93/88/06/1071938806.db2.gz KEXAIWKVAWHVNE-OAHLLOKOSA-N 1 2 445.553 0.576 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541948630 1071947079 /nfs/dbraw/zinc/94/70/79/1071947079.db2.gz AWOKKPLXLLIXPK-CVEARBPZSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541948630 1071947073 /nfs/dbraw/zinc/94/70/73/1071947073.db2.gz AWOKKPLXLLIXPK-CVEARBPZSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541948631 1071947175 /nfs/dbraw/zinc/94/71/75/1071947175.db2.gz AWOKKPLXLLIXPK-HOTGVXAUSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541948631 1071947173 /nfs/dbraw/zinc/94/71/73/1071947173.db2.gz AWOKKPLXLLIXPK-HOTGVXAUSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541948632 1071947216 /nfs/dbraw/zinc/94/72/16/1071947216.db2.gz AWOKKPLXLLIXPK-HZPDHXFCSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541948632 1071947212 /nfs/dbraw/zinc/94/72/12/1071947212.db2.gz AWOKKPLXLLIXPK-HZPDHXFCSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541948633 1071947115 /nfs/dbraw/zinc/94/71/15/1071947115.db2.gz AWOKKPLXLLIXPK-JKSUJKDBSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541948633 1071947114 /nfs/dbraw/zinc/94/71/14/1071947114.db2.gz AWOKKPLXLLIXPK-JKSUJKDBSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001541949152 1071948079 /nfs/dbraw/zinc/94/80/79/1071948079.db2.gz JZTGVWMSYTZQFG-HNNXBMFYSA-N 1 2 431.522 0.959 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001541949153 1071948041 /nfs/dbraw/zinc/94/80/41/1071948041.db2.gz JZTGVWMSYTZQFG-OAHLLOKOSA-N 1 2 431.522 0.959 20 0 ICADLO CC1(C)COCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001542012720 1071958090 /nfs/dbraw/zinc/95/80/90/1071958090.db2.gz DFLINMMTJKREFO-HNNXBMFYSA-N 1 2 442.524 0.348 20 0 ICADLO CC1(C)COCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001542012720 1071958081 /nfs/dbraw/zinc/95/80/81/1071958081.db2.gz DFLINMMTJKREFO-HNNXBMFYSA-N 1 2 442.524 0.348 20 0 ICADLO CC1(C)COCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001542012721 1071958193 /nfs/dbraw/zinc/95/81/93/1071958193.db2.gz DFLINMMTJKREFO-OAHLLOKOSA-N 1 2 442.524 0.348 20 0 ICADLO CC1(C)COCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001542012721 1071958191 /nfs/dbraw/zinc/95/81/91/1071958191.db2.gz DFLINMMTJKREFO-OAHLLOKOSA-N 1 2 442.524 0.348 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CC1 ZINC001542018560 1071959062 /nfs/dbraw/zinc/95/90/62/1071959062.db2.gz RLVWBWKDISJUQG-JXFKEZNVSA-N 1 2 441.598 0.906 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CC1 ZINC001542018561 1071959137 /nfs/dbraw/zinc/95/91/37/1071959137.db2.gz RLVWBWKDISJUQG-OXJNMPFZSA-N 1 2 441.598 0.906 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CC1 ZINC001542018562 1071959162 /nfs/dbraw/zinc/95/91/62/1071959162.db2.gz RLVWBWKDISJUQG-OXQOHEQNSA-N 1 2 441.598 0.906 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CC1 ZINC001542018563 1071959109 /nfs/dbraw/zinc/95/91/09/1071959109.db2.gz RLVWBWKDISJUQG-UZLBHIALSA-N 1 2 441.598 0.906 20 0 ICADLO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)no1 ZINC001542201049 1071970630 /nfs/dbraw/zinc/97/06/30/1071970630.db2.gz IEPNRSHHWDUMPY-AWEZNQCLSA-N 1 2 427.531 0.001 20 0 ICADLO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)no1 ZINC001542201050 1071970603 /nfs/dbraw/zinc/97/06/03/1071970603.db2.gz IEPNRSHHWDUMPY-CQSZACIVSA-N 1 2 427.531 0.001 20 0 ICADLO Cc1nc(CS(C)(=O)=O)sc1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001542293962 1071973163 /nfs/dbraw/zinc/97/31/63/1071973163.db2.gz KJPCAZZDMHJMSZ-KRWDZBQOSA-N 1 2 433.621 0.863 20 0 ICADLO Cc1nc(CS(C)(=O)=O)sc1CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001542293963 1071973729 /nfs/dbraw/zinc/97/37/29/1071973729.db2.gz KJPCAZZDMHJMSZ-QGZVFWFLSA-N 1 2 433.621 0.863 20 0 ICADLO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001542294130 1071973528 /nfs/dbraw/zinc/97/35/28/1071973528.db2.gz PEQRJNCJYQIYCH-JXFKEZNVSA-N 1 2 438.525 0.124 20 0 ICADLO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001542294131 1071973665 /nfs/dbraw/zinc/97/36/65/1071973665.db2.gz PEQRJNCJYQIYCH-OXJNMPFZSA-N 1 2 438.525 0.124 20 0 ICADLO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001542294132 1071973714 /nfs/dbraw/zinc/97/37/14/1071973714.db2.gz PEQRJNCJYQIYCH-OXQOHEQNSA-N 1 2 438.525 0.124 20 0 ICADLO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001542294133 1071973589 /nfs/dbraw/zinc/97/35/89/1071973589.db2.gz PEQRJNCJYQIYCH-UZLBHIALSA-N 1 2 438.525 0.124 20 0 ICADLO O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001542294206 1071973557 /nfs/dbraw/zinc/97/35/57/1071973557.db2.gz RCYLCCZGTOOZSF-KBXCAEBGSA-N 1 2 445.632 0.912 20 0 ICADLO O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001542294207 1071973623 /nfs/dbraw/zinc/97/36/23/1071973623.db2.gz RCYLCCZGTOOZSF-KDOFPFPSSA-N 1 2 445.632 0.912 20 0 ICADLO O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001542294208 1071973575 /nfs/dbraw/zinc/97/35/75/1071973575.db2.gz RCYLCCZGTOOZSF-KSSFIOAISA-N 1 2 445.632 0.912 20 0 ICADLO O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001542294209 1071973709 /nfs/dbraw/zinc/97/37/09/1071973709.db2.gz RCYLCCZGTOOZSF-RDTXWAMCSA-N 1 2 445.632 0.912 20 0 ICADLO Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@H](C)[NH+]2CCOCC2)o1 ZINC001542343135 1071975809 /nfs/dbraw/zinc/97/58/09/1071975809.db2.gz XZWCIDVGVONTRI-HNNXBMFYSA-N 1 2 438.554 0.649 20 0 ICADLO Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@H](C)[NH+]2CCOCC2)o1 ZINC001542343136 1071975762 /nfs/dbraw/zinc/97/57/62/1071975762.db2.gz XZWCIDVGVONTRI-OAHLLOKOSA-N 1 2 438.554 0.649 20 0 ICADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1ccnc(N2CCOCC2)n1 ZINC001542348459 1071976352 /nfs/dbraw/zinc/97/63/52/1071976352.db2.gz HGFFIHRDOBOLEI-UHFFFAOYSA-N 1 2 427.505 0.954 20 0 ICADLO O=C(N[C@@H](CO)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(F)n1 ZINC001542348904 1071976345 /nfs/dbraw/zinc/97/63/45/1071976345.db2.gz QUSBCYPYYQMYCH-IBGZPJMESA-N 1 2 446.479 0.339 20 0 ICADLO COC(=O)[C@H]1CCCN(CC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1=O ZINC001542349071 1071976417 /nfs/dbraw/zinc/97/64/17/1071976417.db2.gz VHLPIERRVONUOR-IBGZPJMESA-N 1 2 433.505 0.425 20 0 ICADLO COC(=O)[C@@H]1CCCN(CC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1=O ZINC001542349072 1071976386 /nfs/dbraw/zinc/97/63/86/1071976386.db2.gz VHLPIERRVONUOR-LJQANCHMSA-N 1 2 433.505 0.425 20 0 ICADLO O=C(N[C@@H](CO)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)c1cccc(F)n1 ZINC001542373857 1071977931 /nfs/dbraw/zinc/97/79/31/1071977931.db2.gz LBECDDYMISUXCY-SFHVURJKSA-N 1 2 446.479 0.339 20 0 ICADLO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)CC[NH+]2CCOCC2)c(=O)n1C ZINC001542375877 1071977871 /nfs/dbraw/zinc/97/78/71/1071977871.db2.gz OWIMRKNBZMNEOZ-UHFFFAOYSA-N 1 2 431.541 0.240 20 0 ICADLO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001542485579 1071983346 /nfs/dbraw/zinc/98/33/46/1071983346.db2.gz FBWPSCMDCNFWRN-QAPCUYQASA-N 1 2 435.525 0.511 20 0 ICADLO CS(=O)(=O)N1CCC(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001542485625 1071983374 /nfs/dbraw/zinc/98/33/74/1071983374.db2.gz HBVAJQZFCPBTCO-UHFFFAOYSA-N 1 2 437.566 0.298 20 0 ICADLO Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001542500588 1071984011 /nfs/dbraw/zinc/98/40/11/1071984011.db2.gz QLDHFJKCJFCPLZ-UHFFFAOYSA-N 1 2 428.584 0.703 20 0 ICADLO Cc1cccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)n1 ZINC001542573277 1071987451 /nfs/dbraw/zinc/98/74/51/1071987451.db2.gz XZYZZXGFBBGRAN-UHFFFAOYSA-N 1 2 449.581 0.499 20 0 ICADLO Cc1cccc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCNS(C)(=O)=O)n1 ZINC001542628282 1071989939 /nfs/dbraw/zinc/98/99/39/1071989939.db2.gz CPCPTJYCFHNMLB-UHFFFAOYSA-N 1 2 442.549 0.919 20 0 ICADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)[nH+]1 ZINC001542642302 1071991517 /nfs/dbraw/zinc/99/15/17/1071991517.db2.gz IRHFYUSKXNACGN-FOIQADDNSA-N 1 2 449.581 0.926 20 0 ICADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)[nH+]1 ZINC001542642303 1071991607 /nfs/dbraw/zinc/99/16/07/1071991607.db2.gz IRHFYUSKXNACGN-MGPUTAFESA-N 1 2 449.581 0.926 20 0 ICADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)[nH+]1 ZINC001542642304 1071991565 /nfs/dbraw/zinc/99/15/65/1071991565.db2.gz IRHFYUSKXNACGN-QRWLVFNGSA-N 1 2 449.581 0.926 20 0 ICADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)[nH+]1 ZINC001542642305 1071991525 /nfs/dbraw/zinc/99/15/25/1071991525.db2.gz IRHFYUSKXNACGN-YWZLYKJASA-N 1 2 449.581 0.926 20 0 ICADLO O=C(Cn1cnc(NC(=O)c2cccn2CC[NH+]2CCOCC2)n1)NCc1ccccc1 ZINC001542644488 1071991657 /nfs/dbraw/zinc/99/16/57/1071991657.db2.gz HBRXCABRHOZXAI-UHFFFAOYSA-N 1 2 437.504 0.981 20 0 ICADLO Cc1cccc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)C2)[nH+]1 ZINC001542645225 1071992114 /nfs/dbraw/zinc/99/21/14/1071992114.db2.gz GDCWZSWCUWZRBA-INIZCTEOSA-N 1 2 432.550 0.795 20 0 ICADLO Cc1cccc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)C2)[nH+]1 ZINC001542645226 1071992067 /nfs/dbraw/zinc/99/20/67/1071992067.db2.gz GDCWZSWCUWZRBA-MRXNPFEDSA-N 1 2 432.550 0.795 20 0 ICADLO Cc1cccc(CCCn2c(CN3CCCC3=O)nnc2N2CCS(=O)(=O)CC2)[nH+]1 ZINC001542647264 1071992079 /nfs/dbraw/zinc/99/20/79/1071992079.db2.gz RUWZRIMTPUZLPM-UHFFFAOYSA-N 1 2 432.550 0.972 20 0 ICADLO CC(C)(O)C[NH+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 ZINC001542650608 1071992044 /nfs/dbraw/zinc/99/20/44/1071992044.db2.gz BLIVGPYVKUDSHH-UHFFFAOYSA-N 1 2 431.580 0.422 20 0 ICADLO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cnc(I)c(O)c2)CC1 ZINC001542656008 1071992722 /nfs/dbraw/zinc/99/27/22/1071992722.db2.gz SQAMSKFUBICFAL-GFCCVEGCSA-N 1 2 444.273 0.946 20 0 ICADLO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cnc(I)c(O)c2)CC1 ZINC001542656008 1071992721 /nfs/dbraw/zinc/99/27/21/1071992721.db2.gz SQAMSKFUBICFAL-GFCCVEGCSA-N 1 2 444.273 0.946 20 0 ICADLO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cnc(I)c(O)c2)CC1 ZINC001542656009 1071992805 /nfs/dbraw/zinc/99/28/05/1071992805.db2.gz SQAMSKFUBICFAL-LBPRGKRZSA-N 1 2 444.273 0.946 20 0 ICADLO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cnc(I)c(O)c2)CC1 ZINC001542656009 1071992802 /nfs/dbraw/zinc/99/28/02/1071992802.db2.gz SQAMSKFUBICFAL-LBPRGKRZSA-N 1 2 444.273 0.946 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(I)cc2-n2cnnn2)CCO1 ZINC001542688780 1071994226 /nfs/dbraw/zinc/99/42/26/1071994226.db2.gz NJXUZDSBNMXOQM-LLVKDONJSA-N 1 2 442.261 0.717 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(I)cc2-n2cnnn2)CCO1 ZINC001542688780 1071994219 /nfs/dbraw/zinc/99/42/19/1071994219.db2.gz NJXUZDSBNMXOQM-LLVKDONJSA-N 1 2 442.261 0.717 20 0 ICADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(I)cc2-n2cnnn2)CCO1 ZINC001542688781 1071994310 /nfs/dbraw/zinc/99/43/10/1071994310.db2.gz NJXUZDSBNMXOQM-NSHDSACASA-N 1 2 442.261 0.717 20 0 ICADLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(I)cc2-n2cnnn2)CCO1 ZINC001542688781 1071994303 /nfs/dbraw/zinc/99/43/03/1071994303.db2.gz NJXUZDSBNMXOQM-NSHDSACASA-N 1 2 442.261 0.717 20 0 ICADLO Cc1ccccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1CCS(=O)(=O)N(C)C ZINC001542706138 1071994812 /nfs/dbraw/zinc/99/48/12/1071994812.db2.gz MDYMTIPXEDMVDM-UHFFFAOYSA-N 1 2 436.582 0.913 20 0 ICADLO O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001542738197 1071997543 /nfs/dbraw/zinc/99/75/43/1071997543.db2.gz JPUOLTDHOBDVJK-MOPGFXCFSA-N 1 2 433.534 0.223 20 0 ICADLO O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001542738198 1071997526 /nfs/dbraw/zinc/99/75/26/1071997526.db2.gz JPUOLTDHOBDVJK-OALUTQOASA-N 1 2 433.534 0.223 20 0 ICADLO O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001542738199 1071997551 /nfs/dbraw/zinc/99/75/51/1071997551.db2.gz JPUOLTDHOBDVJK-RBUKOAKNSA-N 1 2 433.534 0.223 20 0 ICADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001542738200 1071998016 /nfs/dbraw/zinc/99/80/16/1071998016.db2.gz JPUOLTDHOBDVJK-RTBURBONSA-N 1 2 433.534 0.223 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CCc3cnn(C)n3)cc2)CC1 ZINC001542770146 1072001623 /nfs/dbraw/zinc/00/16/23/1072001623.db2.gz JDBWEHGUJJWKFC-UHFFFAOYSA-N 1 2 428.537 0.650 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H](O)c3cnn(C)c3)cc2)CC1 ZINC001542770452 1072001764 /nfs/dbraw/zinc/00/17/64/1072001764.db2.gz TZOPFHIKGHBKLN-NRFANRHFSA-N 1 2 429.521 0.355 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H](O)c3cnn(C)c3)cc2)CC1 ZINC001542770453 1072001527 /nfs/dbraw/zinc/00/15/27/1072001527.db2.gz TZOPFHIKGHBKLN-OAQYLSRUSA-N 1 2 429.521 0.355 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3nnn(C(C)(C)C)n3)cc2)CC1 ZINC001542770510 1072001729 /nfs/dbraw/zinc/00/17/29/1072001729.db2.gz VRSIGYAXJUJUPF-UHFFFAOYSA-N 1 2 443.552 0.944 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3nc4ncccn4n3)cc2)CC1 ZINC001542770536 1072002345 /nfs/dbraw/zinc/00/23/45/1072002345.db2.gz WIFUBUBIVHAYCS-UHFFFAOYSA-N 1 2 437.504 0.640 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C3=C4CCCN=C4NN3)cc2)CC1 ZINC001542770617 1072002217 /nfs/dbraw/zinc/00/22/17/1072002217.db2.gz YWORPARLNGXRFZ-UHFFFAOYSA-N 1 2 440.548 0.442 20 0 ICADLO CCn1cc(CC(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)nn1 ZINC001542770645 1072002282 /nfs/dbraw/zinc/00/22/82/1072002282.db2.gz ZRXQWYNCNFUZMZ-UHFFFAOYSA-N 1 2 428.537 0.742 20 0 ICADLO Cc1cnn(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001542824890 1072004825 /nfs/dbraw/zinc/00/48/25/1072004825.db2.gz SXGOJORJKAMQNQ-UHFFFAOYSA-N 1 2 439.524 0.899 20 0 ICADLO Cc1cn2c([nH+]1)[C@H](Cn1c(C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)CCC2 ZINC001542832205 1072005265 /nfs/dbraw/zinc/00/52/65/1072005265.db2.gz LTPSOTQFUTZHGS-KRWDZBQOSA-N 1 2 428.541 0.842 20 0 ICADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)CCC2 ZINC001542832206 1072005198 /nfs/dbraw/zinc/00/51/98/1072005198.db2.gz LTPSOTQFUTZHGS-QGZVFWFLSA-N 1 2 428.541 0.842 20 0 ICADLO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cnc(I)c(O)c2)CC1 ZINC001542841939 1072005710 /nfs/dbraw/zinc/00/57/10/1072005710.db2.gz NFJYPGSNSYSPIS-UHFFFAOYSA-N 1 2 444.273 0.772 20 0 ICADLO CC1(C)COCC[N@H+]1CCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001542874278 1072008273 /nfs/dbraw/zinc/00/82/73/1072008273.db2.gz PPFDWHVWMPYLFD-UHFFFAOYSA-N 1 2 441.550 0.743 20 0 ICADLO CC1(C)COCC[N@@H+]1CCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001542874278 1072008265 /nfs/dbraw/zinc/00/82/65/1072008265.db2.gz PPFDWHVWMPYLFD-UHFFFAOYSA-N 1 2 441.550 0.743 20 0 ICADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC001542896062 1072010609 /nfs/dbraw/zinc/01/06/09/1072010609.db2.gz GMKBIYXDMCRAAF-UHFFFAOYSA-N 1 2 432.587 0.811 20 0 ICADLO CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC001542923935 1072013823 /nfs/dbraw/zinc/01/38/23/1072013823.db2.gz MCZBSQIHSNQSST-KRWDZBQOSA-N 1 2 448.520 0.886 20 0 ICADLO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC001542923936 1072013710 /nfs/dbraw/zinc/01/37/10/1072013710.db2.gz MCZBSQIHSNQSST-QGZVFWFLSA-N 1 2 448.520 0.886 20 0 ICADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CNS(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC001542923991 1072013476 /nfs/dbraw/zinc/01/34/76/1072013476.db2.gz OCRLJBYUDLWHEN-UHFFFAOYSA-N 1 2 434.493 0.547 20 0 ICADLO Cc1n[nH]c(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001542939311 1072015215 /nfs/dbraw/zinc/01/52/15/1072015215.db2.gz HAUHXWHSUBHCCG-HNNXBMFYSA-N 1 2 431.545 0.445 20 0 ICADLO Cc1n[nH]c(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001542939311 1072015204 /nfs/dbraw/zinc/01/52/04/1072015204.db2.gz HAUHXWHSUBHCCG-HNNXBMFYSA-N 1 2 431.545 0.445 20 0 ICADLO Cc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n[nH]1 ZINC001542939311 1072015193 /nfs/dbraw/zinc/01/51/93/1072015193.db2.gz HAUHXWHSUBHCCG-HNNXBMFYSA-N 1 2 431.545 0.445 20 0 ICADLO Cc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n[nH]1 ZINC001542939311 1072015186 /nfs/dbraw/zinc/01/51/86/1072015186.db2.gz HAUHXWHSUBHCCG-HNNXBMFYSA-N 1 2 431.545 0.445 20 0 ICADLO Cc1n[nH]c(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001542939312 1072014989 /nfs/dbraw/zinc/01/49/89/1072014989.db2.gz HAUHXWHSUBHCCG-OAHLLOKOSA-N 1 2 431.545 0.445 20 0 ICADLO Cc1n[nH]c(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001542939312 1072014977 /nfs/dbraw/zinc/01/49/77/1072014977.db2.gz HAUHXWHSUBHCCG-OAHLLOKOSA-N 1 2 431.545 0.445 20 0 ICADLO Cc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n[nH]1 ZINC001542939312 1072014965 /nfs/dbraw/zinc/01/49/65/1072014965.db2.gz HAUHXWHSUBHCCG-OAHLLOKOSA-N 1 2 431.545 0.445 20 0 ICADLO Cc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n[nH]1 ZINC001542939312 1072014957 /nfs/dbraw/zinc/01/49/57/1072014957.db2.gz HAUHXWHSUBHCCG-OAHLLOKOSA-N 1 2 431.545 0.445 20 0 ICADLO Cc1n[nH]c(CCn2c(CN3CCCC3=O)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001542944010 1072016765 /nfs/dbraw/zinc/01/67/65/1072016765.db2.gz HSCZRHXTMMZIQB-IYBDPMFKSA-N 1 2 445.572 0.615 20 0 ICADLO Cc1n[nH]c(CCn2c(CN3CCCC3=O)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001542944010 1072016755 /nfs/dbraw/zinc/01/67/55/1072016755.db2.gz HSCZRHXTMMZIQB-IYBDPMFKSA-N 1 2 445.572 0.615 20 0 ICADLO Cc1nc(CCn2c(CN3CCCC3=O)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n[nH]1 ZINC001542944010 1072016743 /nfs/dbraw/zinc/01/67/43/1072016743.db2.gz HSCZRHXTMMZIQB-IYBDPMFKSA-N 1 2 445.572 0.615 20 0 ICADLO Cc1nc(CCn2c(CN3CCCC3=O)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n[nH]1 ZINC001542944010 1072016735 /nfs/dbraw/zinc/01/67/35/1072016735.db2.gz HSCZRHXTMMZIQB-IYBDPMFKSA-N 1 2 445.572 0.615 20 0 ICADLO O=C(C[N@@H+]1CCCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1)N1CCCC1 ZINC001542952137 1072017889 /nfs/dbraw/zinc/01/78/89/1072017889.db2.gz PDKFSKUSLYLOSQ-UHFFFAOYSA-N 1 2 444.532 0.527 20 0 ICADLO O=C(C[N@H+]1CCCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1)N1CCCC1 ZINC001542952137 1072017879 /nfs/dbraw/zinc/01/78/79/1072017879.db2.gz PDKFSKUSLYLOSQ-UHFFFAOYSA-N 1 2 444.532 0.527 20 0 ICADLO Cc1ncc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001542961903 1072020844 /nfs/dbraw/zinc/02/08/44/1072020844.db2.gz UYSBJDCRJXMBIZ-CYBMUJFWSA-N 1 2 443.599 0.470 20 0 ICADLO Cc1ncc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001542961904 1072020972 /nfs/dbraw/zinc/02/09/72/1072020972.db2.gz UYSBJDCRJXMBIZ-ZDUSSCGKSA-N 1 2 443.599 0.470 20 0 ICADLO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)cc1 ZINC001542962619 1072021485 /nfs/dbraw/zinc/02/14/85/1072021485.db2.gz VXGWSBKRJFJBEB-RTBURBONSA-N 1 2 431.562 0.955 20 0 ICADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3COCCO3)CC2)s1 ZINC001542966066 1072022315 /nfs/dbraw/zinc/02/23/15/1072022315.db2.gz MJBPXPGEQUJYRI-INIZCTEOSA-N 1 2 449.581 0.919 20 0 ICADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[C@H]3COCCO3)CC2)cc[nH+]1 ZINC001542966960 1072021907 /nfs/dbraw/zinc/02/19/07/1072021907.db2.gz BSBYTFVITSINCR-KRWDZBQOSA-N 1 2 444.540 0.647 20 0 ICADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[C@@H]3COCCO3)CC2)cc[nH+]1 ZINC001542966961 1072022152 /nfs/dbraw/zinc/02/21/52/1072022152.db2.gz BSBYTFVITSINCR-QGZVFWFLSA-N 1 2 444.540 0.647 20 0 ICADLO Cc1ncc(C[NH+]2CCN(c3nnc(C4CC4)n3CCNS(C)(=O)=O)CC2)s1 ZINC001542967160 1072022030 /nfs/dbraw/zinc/02/20/30/1072022030.db2.gz JWDQTQRYVDONNA-UHFFFAOYSA-N 1 2 425.584 0.792 20 0 ICADLO Cc1nc(N2CCN(c3nnc(C(C)C)n3CC3(O)CCS(=O)(=O)CC3)CC2)cc[nH+]1 ZINC001542967174 1072022091 /nfs/dbraw/zinc/02/20/91/1072022091.db2.gz KQWQMATYNRGWKI-UHFFFAOYSA-N 1 2 449.581 0.766 20 0 ICADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCNC(=O)C3CC3)CC2)cc[nH+]1 ZINC001542967311 1072022198 /nfs/dbraw/zinc/02/21/98/1072022198.db2.gz PVYKZKLEXUKBQN-UHFFFAOYSA-N 1 2 441.540 0.368 20 0 ICADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CCSC3)CC2)cc[nH+]1 ZINC001542967340 1072022117 /nfs/dbraw/zinc/02/21/17/1072022117.db2.gz RXMSBARFXFCLCF-FQEVSTJZSA-N 1 2 446.581 0.709 20 0 ICADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(O)CCSC3)CC2)cc[nH+]1 ZINC001542967341 1072021984 /nfs/dbraw/zinc/02/19/84/1072021984.db2.gz RXMSBARFXFCLCF-HXUWFJFHSA-N 1 2 446.581 0.709 20 0 ICADLO Cc1ncc(C[NH+]2CCN(c3nnc(CN4CCCC4=O)n3CC(=O)N(C)C)CC2)s1 ZINC001542967453 1072021881 /nfs/dbraw/zinc/02/18/81/1072021881.db2.gz WQLCAJALMGKFJE-UHFFFAOYSA-N 1 2 446.581 0.576 20 0 ICADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3COCCO3)CC2)cc[nH+]1 ZINC001542967519 1072022263 /nfs/dbraw/zinc/02/22/63/1072022263.db2.gz ZNEZDWATOWVMQG-INIZCTEOSA-N 1 2 430.513 0.257 20 0 ICADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(=O)NC(C)C)CC2)cc[nH+]1 ZINC001542967530 1072021949 /nfs/dbraw/zinc/02/19/49/1072021949.db2.gz ZQWCTIYVYVSLFQ-UHFFFAOYSA-N 1 2 429.529 0.366 20 0 ICADLO Cc1nc(N2CCN(c3nnc([C@H]4CCOC4)n3CC(=O)NCC(F)F)CC2)cc[nH+]1 ZINC001542968111 1072022058 /nfs/dbraw/zinc/02/20/58/1072022058.db2.gz FOPXYJFLOKIEJU-AWEZNQCLSA-N 1 2 436.467 0.588 20 0 ICADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCOC4)n3CC(=O)NCC(F)F)CC2)cc[nH+]1 ZINC001542968112 1072021926 /nfs/dbraw/zinc/02/19/26/1072021926.db2.gz FOPXYJFLOKIEJU-CQSZACIVSA-N 1 2 436.467 0.588 20 0 ICADLO Cc1nc(N2CCN(c3nnc(-c4ccccn4)n3CCNS(C)(=O)=O)CC2)cc[nH+]1 ZINC001542968113 1072022864 /nfs/dbraw/zinc/02/28/64/1072022864.db2.gz FRADMWLODCTJTF-UHFFFAOYSA-N 1 2 443.537 0.314 20 0 ICADLO Cc1nc(N2CCN(c3nnc(-c4ccccn4)n3CCS(C)(=O)=O)CC2)cc[nH+]1 ZINC001542968428 1072022632 /nfs/dbraw/zinc/02/26/32/1072022632.db2.gz RZIPUZDKIJSDBC-UHFFFAOYSA-N 1 2 428.522 0.810 20 0 ICADLO Cc1nc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCS(C)(=O)=O)CC2)cc[nH+]1 ZINC001542968531 1072022721 /nfs/dbraw/zinc/02/27/21/1072022721.db2.gz WZOAIHYQGUQQLM-INIZCTEOSA-N 1 2 435.554 0.642 20 0 ICADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCS(C)(=O)=O)CC2)cc[nH+]1 ZINC001542968532 1072022609 /nfs/dbraw/zinc/02/26/09/1072022609.db2.gz WZOAIHYQGUQQLM-MRXNPFEDSA-N 1 2 435.554 0.642 20 0 ICADLO Cn1cc(I)c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC001542971566 1072022779 /nfs/dbraw/zinc/02/27/79/1072022779.db2.gz CDXMGZPBPVWCCY-UHFFFAOYSA-N 1 2 440.307 0.264 20 0 ICADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC001542971612 1072022746 /nfs/dbraw/zinc/02/27/46/1072022746.db2.gz FARNLFYASNVJMB-KRWDZBQOSA-N 1 2 439.553 0.842 20 0 ICADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC001542971613 1072022840 /nfs/dbraw/zinc/02/28/40/1072022840.db2.gz FARNLFYASNVJMB-QGZVFWFLSA-N 1 2 439.553 0.842 20 0 ICADLO COc1ccc(Cn2nnc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2C)cc1 ZINC001542971647 1072022523 /nfs/dbraw/zinc/02/25/23/1072022523.db2.gz GILBQHUATIXULE-UHFFFAOYSA-N 1 2 435.550 0.882 20 0 ICADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001542971738 1072022905 /nfs/dbraw/zinc/02/29/05/1072022905.db2.gz KGEJECVCLGTPFG-UHFFFAOYSA-N 1 2 435.593 0.051 20 0 ICADLO COc1cc2ncc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c(O)c2c(OC)c1 ZINC001542971764 1072022958 /nfs/dbraw/zinc/02/29/58/1072022958.db2.gz LFMUYPHHVBUOTP-UHFFFAOYSA-N 1 2 437.518 0.784 20 0 ICADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC001542971829 1072022881 /nfs/dbraw/zinc/02/28/81/1072022881.db2.gz NJHBPTSFCCLJGE-UHFFFAOYSA-N 1 2 430.328 0.731 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001543012178 1072027898 /nfs/dbraw/zinc/02/78/98/1072027898.db2.gz XSZSRYPLVKFYFO-GOSISDBHSA-N 1 2 432.573 0.821 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)C)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001543012179 1072028143 /nfs/dbraw/zinc/02/81/43/1072028143.db2.gz XSZSRYPLVKFYFO-SFHVURJKSA-N 1 2 432.573 0.821 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CCNC(=O)C(C)C)n1 ZINC001543027787 1072028609 /nfs/dbraw/zinc/02/86/09/1072028609.db2.gz PYEZROCCWCTRPO-UHFFFAOYSA-N 1 2 432.573 0.680 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CCC2(O)CCOCC2)n1 ZINC001543027833 1072028687 /nfs/dbraw/zinc/02/86/87/1072028687.db2.gz RNOMEBRVTISTEE-UHFFFAOYSA-N 1 2 447.584 0.840 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CC2(O)CCOCC2)n1 ZINC001543028107 1072028584 /nfs/dbraw/zinc/02/85/84/1072028584.db2.gz XWSUBAVGQTVNKO-UHFFFAOYSA-N 1 2 433.557 0.450 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001543030847 1072029250 /nfs/dbraw/zinc/02/92/50/1072029250.db2.gz BNGBAYXTNKRPCH-MSOLQXFVSA-N 1 2 430.557 0.527 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001543030848 1072029301 /nfs/dbraw/zinc/02/93/01/1072029301.db2.gz BNGBAYXTNKRPCH-QZTJIDSGSA-N 1 2 430.557 0.527 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001543030849 1072029192 /nfs/dbraw/zinc/02/91/92/1072029192.db2.gz BNGBAYXTNKRPCH-ROUUACIJSA-N 1 2 430.557 0.527 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001543030850 1072029152 /nfs/dbraw/zinc/02/91/52/1072029152.db2.gz BNGBAYXTNKRPCH-ZWKOTPCHSA-N 1 2 430.557 0.527 20 0 ICADLO COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC001543060744 1072034013 /nfs/dbraw/zinc/03/40/13/1072034013.db2.gz DNRFBHVJJVAFIO-MJGOQNOKSA-N 1 2 441.550 0.107 20 0 ICADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC001543060823 1072033829 /nfs/dbraw/zinc/03/38/29/1072033829.db2.gz UEZUDBSUAATVTR-IBGZPJMESA-N 1 2 435.569 0.119 20 0 ICADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC001543060824 1072033853 /nfs/dbraw/zinc/03/38/53/1072033853.db2.gz UEZUDBSUAATVTR-LJQANCHMSA-N 1 2 435.569 0.119 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001543061354 1072034381 /nfs/dbraw/zinc/03/43/81/1072034381.db2.gz BYCUOWSQDBEARH-MSOLQXFVSA-N 1 2 430.557 0.527 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001543061356 1072034674 /nfs/dbraw/zinc/03/46/74/1072034674.db2.gz BYCUOWSQDBEARH-QZTJIDSGSA-N 1 2 430.557 0.527 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001543061358 1072034619 /nfs/dbraw/zinc/03/46/19/1072034619.db2.gz BYCUOWSQDBEARH-ROUUACIJSA-N 1 2 430.557 0.527 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001543061360 1072034602 /nfs/dbraw/zinc/03/46/02/1072034602.db2.gz BYCUOWSQDBEARH-ZWKOTPCHSA-N 1 2 430.557 0.527 20 0 ICADLO Cc1nc2n(n1)CCN(c1nnc(C(=O)NC(C)C)n1CC[N@H+]1CCOC(C)(C)C1)C2 ZINC001543091136 1072039388 /nfs/dbraw/zinc/03/93/88/1072039388.db2.gz KMDAVERCBOKQFV-UHFFFAOYSA-N 1 2 431.545 0.447 20 0 ICADLO Cc1nc2n(n1)CCN(c1nnc(C(=O)NC(C)C)n1CC[N@@H+]1CCOC(C)(C)C1)C2 ZINC001543091136 1072039374 /nfs/dbraw/zinc/03/93/74/1072039374.db2.gz KMDAVERCBOKQFV-UHFFFAOYSA-N 1 2 431.545 0.447 20 0 ICADLO CC1=C(C)C(=O)N(CCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC001543091392 1072039885 /nfs/dbraw/zinc/03/98/85/1072039885.db2.gz ARSLXNTYRYZCBQ-KRWDZBQOSA-N 1 2 442.520 0.494 20 0 ICADLO CC1=C(C)C(=O)N(CCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC001543091392 1072039867 /nfs/dbraw/zinc/03/98/67/1072039867.db2.gz ARSLXNTYRYZCBQ-KRWDZBQOSA-N 1 2 442.520 0.494 20 0 ICADLO CC1=C(C)C(=O)N(CCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC001543091393 1072040160 /nfs/dbraw/zinc/04/01/60/1072040160.db2.gz ARSLXNTYRYZCBQ-QGZVFWFLSA-N 1 2 442.520 0.494 20 0 ICADLO CC1=C(C)C(=O)N(CCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC001543091393 1072040147 /nfs/dbraw/zinc/04/01/47/1072040147.db2.gz ARSLXNTYRYZCBQ-QGZVFWFLSA-N 1 2 442.520 0.494 20 0 ICADLO C[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H](C)S(C)(=O)=O ZINC001543091434 1072040081 /nfs/dbraw/zinc/04/00/81/1072040081.db2.gz CPHIPWUYXVPQMV-ARFHVFGLSA-N 1 2 425.555 0.467 20 0 ICADLO C[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H](C)S(C)(=O)=O ZINC001543091434 1072040065 /nfs/dbraw/zinc/04/00/65/1072040065.db2.gz CPHIPWUYXVPQMV-ARFHVFGLSA-N 1 2 425.555 0.467 20 0 ICADLO C[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H](C)S(C)(=O)=O ZINC001543091435 1072039968 /nfs/dbraw/zinc/03/99/68/1072039968.db2.gz CPHIPWUYXVPQMV-HRCADAONSA-N 1 2 425.555 0.467 20 0 ICADLO C[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H](C)S(C)(=O)=O ZINC001543091435 1072039965 /nfs/dbraw/zinc/03/99/65/1072039965.db2.gz CPHIPWUYXVPQMV-HRCADAONSA-N 1 2 425.555 0.467 20 0 ICADLO C[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H](C)S(C)(=O)=O ZINC001543091436 1072040012 /nfs/dbraw/zinc/04/00/12/1072040012.db2.gz CPHIPWUYXVPQMV-JYJNAYRXSA-N 1 2 425.555 0.467 20 0 ICADLO C[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H](C)S(C)(=O)=O ZINC001543091436 1072040001 /nfs/dbraw/zinc/04/00/01/1072040001.db2.gz CPHIPWUYXVPQMV-JYJNAYRXSA-N 1 2 425.555 0.467 20 0 ICADLO C[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H](C)S(C)(=O)=O ZINC001543091437 1072040272 /nfs/dbraw/zinc/04/02/72/1072040272.db2.gz CPHIPWUYXVPQMV-XHSDSOJGSA-N 1 2 425.555 0.467 20 0 ICADLO C[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H](C)S(C)(=O)=O ZINC001543091437 1072040259 /nfs/dbraw/zinc/04/02/59/1072040259.db2.gz CPHIPWUYXVPQMV-XHSDSOJGSA-N 1 2 425.555 0.467 20 0 ICADLO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001543092276 1072039839 /nfs/dbraw/zinc/03/98/39/1072039839.db2.gz SHERNMUVHMGGRI-AWEZNQCLSA-N 1 2 429.481 0.151 20 0 ICADLO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001543092276 1072039827 /nfs/dbraw/zinc/03/98/27/1072039827.db2.gz SHERNMUVHMGGRI-AWEZNQCLSA-N 1 2 429.481 0.151 20 0 ICADLO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001543092277 1072040208 /nfs/dbraw/zinc/04/02/08/1072040208.db2.gz SHERNMUVHMGGRI-CQSZACIVSA-N 1 2 429.481 0.151 20 0 ICADLO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001543092277 1072040189 /nfs/dbraw/zinc/04/01/89/1072040189.db2.gz SHERNMUVHMGGRI-CQSZACIVSA-N 1 2 429.481 0.151 20 0 ICADLO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3nc[nH]c(=O)c3Br)CC2)CC1 ZINC001543099951 1072041476 /nfs/dbraw/zinc/04/14/76/1072041476.db2.gz ZPCNGTSDVYHMQZ-UHFFFAOYSA-N 1 2 426.315 0.961 20 0 ICADLO Cc1nnc(CCn2c(CN3CCCC3=O)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001543114659 1072042916 /nfs/dbraw/zinc/04/29/16/1072042916.db2.gz CWHIHRUIBMAUAK-UHFFFAOYSA-N 1 2 434.570 0.572 20 0 ICADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)[C@H]1CCS(=O)(=O)N1 ZINC001543129606 1072044801 /nfs/dbraw/zinc/04/48/01/1072044801.db2.gz INVOZVOSVBKDGD-GOSISDBHSA-N 1 2 433.509 0.855 20 0 ICADLO O=C(NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)[C@@H]1CCS(=O)(=O)N1 ZINC001543129610 1072044963 /nfs/dbraw/zinc/04/49/63/1072044963.db2.gz INVOZVOSVBKDGD-SFHVURJKSA-N 1 2 433.509 0.855 20 0 ICADLO O=C(CN1CCNC(=O)C1)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001543130315 1072044746 /nfs/dbraw/zinc/04/47/46/1072044746.db2.gz ULHUKSIFNIGVEA-UHFFFAOYSA-N 1 2 426.496 0.595 20 0 ICADLO Cc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001543137016 1072045234 /nfs/dbraw/zinc/04/52/34/1072045234.db2.gz HSBXQRLSZWQDBE-UHFFFAOYSA-N 1 2 449.581 0.727 20 0 ICADLO C[C@H]([C@H](C)NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[NH+]1CCOCC1 ZINC001543149156 1072046068 /nfs/dbraw/zinc/04/60/68/1072046068.db2.gz HVMUGLGRRUJKEP-BBWFWOEESA-N 1 2 426.558 0.975 20 0 ICADLO C[C@H]([C@H](C)NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[NH+]1CCOCC1 ZINC001543149159 1072046114 /nfs/dbraw/zinc/04/61/14/1072046114.db2.gz HVMUGLGRRUJKEP-GVDBMIGSSA-N 1 2 426.558 0.975 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@H](C)[NH+]1CCOCC1 ZINC001543149160 1072045893 /nfs/dbraw/zinc/04/58/93/1072045893.db2.gz HVMUGLGRRUJKEP-ULQDDVLXSA-N 1 2 426.558 0.975 20 0 ICADLO C[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@H](C)[NH+]1CCOCC1 ZINC001543149161 1072046170 /nfs/dbraw/zinc/04/61/70/1072046170.db2.gz HVMUGLGRRUJKEP-YESZJQIVSA-N 1 2 426.558 0.975 20 0 ICADLO O=C(CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCN(c2ccc(F)cc2)CC1 ZINC001543177450 1072047942 /nfs/dbraw/zinc/04/79/42/1072047942.db2.gz QMQZYPOROWRNQK-RTWAWAEBSA-N 1 2 448.539 0.860 20 0 ICADLO Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001543235353 1072052185 /nfs/dbraw/zinc/05/21/85/1072052185.db2.gz AFVHJBWDBHVQSG-UHFFFAOYSA-N 1 2 435.554 0.384 20 0 ICADLO O=C(NCC[NH+]1CCSCC1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001543241366 1072052756 /nfs/dbraw/zinc/05/27/56/1072052756.db2.gz QFFLGDWKIYXNDP-UHFFFAOYSA-N 1 2 433.621 0.920 20 0 ICADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)NCCN1C(=O)CNC1=O)Cc1ccccc1 ZINC001543243359 1072052827 /nfs/dbraw/zinc/05/28/27/1072052827.db2.gz IDBPVTFJNRNTDH-UHFFFAOYSA-N 1 2 433.509 0.681 20 0 ICADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)NCCN1C(=O)CNC1=O)Cc1ccccc1 ZINC001543243359 1072052814 /nfs/dbraw/zinc/05/28/14/1072052814.db2.gz IDBPVTFJNRNTDH-UHFFFAOYSA-N 1 2 433.509 0.681 20 0 ICADLO CC(C)C[C@@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)n1cc[nH+]c1 ZINC001543260645 1072054301 /nfs/dbraw/zinc/05/43/01/1072054301.db2.gz LDWYQRCCPQTGSN-CVEARBPZSA-N 1 2 432.568 0.131 20 0 ICADLO CC(C)C[C@@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)n1cc[nH+]c1 ZINC001543260646 1072054386 /nfs/dbraw/zinc/05/43/86/1072054386.db2.gz LDWYQRCCPQTGSN-HOTGVXAUSA-N 1 2 432.568 0.131 20 0 ICADLO CC(C)C[C@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)n1cc[nH+]c1 ZINC001543260647 1072054561 /nfs/dbraw/zinc/05/45/61/1072054561.db2.gz LDWYQRCCPQTGSN-HZPDHXFCSA-N 1 2 432.568 0.131 20 0 ICADLO CC(C)C[C@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)n1cc[nH+]c1 ZINC001543260650 1072054477 /nfs/dbraw/zinc/05/44/77/1072054477.db2.gz LDWYQRCCPQTGSN-JKSUJKDBSA-N 1 2 432.568 0.131 20 0 ICADLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCCCS(C)(=O)=O ZINC001543306545 1072060142 /nfs/dbraw/zinc/06/01/42/1072060142.db2.gz QCQHZXZXFDOSQN-KRWDZBQOSA-N 1 2 440.614 0.934 20 0 ICADLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCCCS(C)(=O)=O ZINC001543306546 1072060243 /nfs/dbraw/zinc/06/02/43/1072060243.db2.gz QCQHZXZXFDOSQN-QGZVFWFLSA-N 1 2 440.614 0.934 20 0 ICADLO Cc1nnc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1CCNC(=O)C(C)C ZINC001543311331 1072062001 /nfs/dbraw/zinc/06/20/01/1072062001.db2.gz QRKQPJYUVJANJV-UHFFFAOYSA-N 1 2 443.556 0.312 20 0 ICADLO Cc1nnc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1CCNC(=O)C(C)C ZINC001543311331 1072061993 /nfs/dbraw/zinc/06/19/93/1072061993.db2.gz QRKQPJYUVJANJV-UHFFFAOYSA-N 1 2 443.556 0.312 20 0 ICADLO Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001543319980 1072063011 /nfs/dbraw/zinc/06/30/11/1072063011.db2.gz NXNAGLYEYQJKIL-UHFFFAOYSA-N 1 2 428.541 0.077 20 0 ICADLO Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCC(=O)NC1CC1 ZINC001543331017 1072064643 /nfs/dbraw/zinc/06/46/43/1072064643.db2.gz MOOKYFMTCFJRFZ-FQEVSTJZSA-N 1 2 433.601 0.877 20 0 ICADLO Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCC(=O)NC1CC1 ZINC001543331018 1072065151 /nfs/dbraw/zinc/06/51/51/1072065151.db2.gz MOOKYFMTCFJRFZ-HXUWFJFHSA-N 1 2 433.601 0.877 20 0 ICADLO Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CC1(C(N)=O)CCCC1 ZINC001543331923 1072065210 /nfs/dbraw/zinc/06/52/10/1072065210.db2.gz YVFQDRVEBNBQQI-IBGZPJMESA-N 1 2 433.601 0.863 20 0 ICADLO Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC1(C(N)=O)CCCC1 ZINC001543331924 1072064943 /nfs/dbraw/zinc/06/49/43/1072064943.db2.gz YVFQDRVEBNBQQI-LJQANCHMSA-N 1 2 433.601 0.863 20 0 ICADLO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001543334231 1072066763 /nfs/dbraw/zinc/06/67/63/1072066763.db2.gz YDRXJTKOBNZXOM-IBGZPJMESA-N 1 2 434.566 0.742 20 0 ICADLO Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001543334232 1072066646 /nfs/dbraw/zinc/06/66/46/1072066646.db2.gz YDRXJTKOBNZXOM-LJQANCHMSA-N 1 2 434.566 0.742 20 0 ICADLO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001543336596 1072066745 /nfs/dbraw/zinc/06/67/45/1072066745.db2.gz LHWGVBXIJZSXLW-UHFFFAOYSA-N 1 2 447.297 0.619 20 0 ICADLO C/C(=C\C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C[NH+]1CCOCC1 ZINC001543344174 1072067233 /nfs/dbraw/zinc/06/72/33/1072067233.db2.gz NKBCNJGASJHWMY-OBGWFSINSA-N 1 2 436.578 0.517 20 0 ICADLO C/C(=C/C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C[NH+]1CCOCC1 ZINC001543344175 1072067435 /nfs/dbraw/zinc/06/74/35/1072067435.db2.gz NKBCNJGASJHWMY-SDXDJHTJSA-N 1 2 436.578 0.517 20 0 ICADLO C[C@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001543477419 1072074946 /nfs/dbraw/zinc/07/49/46/1072074946.db2.gz ZAMYHHMPWYIQFC-INIZCTEOSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001543477419 1072074933 /nfs/dbraw/zinc/07/49/33/1072074933.db2.gz ZAMYHHMPWYIQFC-INIZCTEOSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001543477422 1072074825 /nfs/dbraw/zinc/07/48/25/1072074825.db2.gz ZAMYHHMPWYIQFC-MRXNPFEDSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001543477422 1072074813 /nfs/dbraw/zinc/07/48/13/1072074813.db2.gz ZAMYHHMPWYIQFC-MRXNPFEDSA-N 1 2 433.557 0.292 20 0 ICADLO CN1CCn2nc(C(=O)NCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc2S1(=O)=O ZINC001543619610 1072082488 /nfs/dbraw/zinc/08/24/88/1072082488.db2.gz ZPDWKDBYGNPEHW-UHFFFAOYSA-N 1 2 436.513 0.208 20 0 ICADLO CCn1c2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc2[nH]c1=O ZINC001543693657 1072085095 /nfs/dbraw/zinc/08/50/95/1072085095.db2.gz AOXZMZLOOFORFX-UHFFFAOYSA-N 1 2 436.538 0.012 20 0 ICADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC2)CC1 ZINC001543693670 1072085313 /nfs/dbraw/zinc/08/53/13/1072085313.db2.gz AUBCWUTUBDKNNA-UHFFFAOYSA-N 1 2 432.550 0.051 20 0 ICADLO COc1cccc(C(F)F)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001543694119 1072085211 /nfs/dbraw/zinc/08/52/11/1072085211.db2.gz PDTFOAFEEQSQHA-UHFFFAOYSA-N 1 2 432.493 0.883 20 0 ICADLO CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1Cl ZINC001543694307 1072085556 /nfs/dbraw/zinc/08/55/56/1072085556.db2.gz WVBHAKVJMBIFNU-UHFFFAOYSA-N 1 2 443.957 0.548 20 0 ICADLO C[C@@H]1C[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001543708119 1072085806 /nfs/dbraw/zinc/08/58/06/1072085806.db2.gz AHRSKUSUTMRHIS-BRWVUGGUSA-N 1 2 442.586 0.035 20 0 ICADLO C[C@@H]1C[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001543708120 1072085519 /nfs/dbraw/zinc/08/55/19/1072085519.db2.gz AHRSKUSUTMRHIS-IKGGRYGDSA-N 1 2 442.586 0.035 20 0 ICADLO C[C@@H]1C[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001543708122 1072086138 /nfs/dbraw/zinc/08/61/38/1072086138.db2.gz AHRSKUSUTMRHIS-IXDOHACOSA-N 1 2 442.586 0.035 20 0 ICADLO C[C@@H]1C[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001543708124 1072086309 /nfs/dbraw/zinc/08/63/09/1072086309.db2.gz AHRSKUSUTMRHIS-ZACQAIPSSA-N 1 2 442.586 0.035 20 0 ICADLO CN1CCn2ncc(C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)c2S1(=O)=O ZINC001543733176 1072086761 /nfs/dbraw/zinc/08/67/61/1072086761.db2.gz VNACOJAALBAVTO-UHFFFAOYSA-N 1 2 432.506 0.157 20 0 ICADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)CC2)C[C@H](C)O1 ZINC001543740762 1072088044 /nfs/dbraw/zinc/08/80/44/1072088044.db2.gz QHOJLCFQVGVVQR-HOTGVXAUSA-N 1 2 449.533 0.690 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)CC2)C[C@@H](C)O1 ZINC001543740763 1072087950 /nfs/dbraw/zinc/08/79/50/1072087950.db2.gz QHOJLCFQVGVVQR-HZPDHXFCSA-N 1 2 449.533 0.690 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)CC2)C[C@H](C)O1 ZINC001543740764 1072087849 /nfs/dbraw/zinc/08/78/49/1072087849.db2.gz QHOJLCFQVGVVQR-IYBDPMFKSA-N 1 2 449.533 0.690 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C[C@H](C)O1 ZINC001543741528 1072089037 /nfs/dbraw/zinc/08/90/37/1072089037.db2.gz ZDASSLXYNKSZRO-HDICACEKSA-N 1 2 447.561 0.913 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C[C@@H](C)O1 ZINC001543741529 1072088877 /nfs/dbraw/zinc/08/88/77/1072088877.db2.gz ZDASSLXYNKSZRO-QZTJIDSGSA-N 1 2 447.561 0.913 20 0 ICADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C[C@H](C)O1 ZINC001543741530 1072088914 /nfs/dbraw/zinc/08/89/14/1072088914.db2.gz ZDASSLXYNKSZRO-ROUUACIJSA-N 1 2 447.561 0.913 20 0 ICADLO CCN1C(=O)CO[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@H]1c1nccn1C ZINC001543784827 1072089977 /nfs/dbraw/zinc/08/99/77/1072089977.db2.gz VXFODJYLNXEMPL-ABSDTBQOSA-N 1 2 437.566 0.033 20 0 ICADLO CCN1C(=O)CO[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@H]1c1nccn1C ZINC001543784829 1072090017 /nfs/dbraw/zinc/09/00/17/1072090017.db2.gz VXFODJYLNXEMPL-ZWOKBUDYSA-N 1 2 437.566 0.033 20 0 ICADLO O=C(N[C@@H](CO)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC001544012171 1072097709 /nfs/dbraw/zinc/09/77/09/1072097709.db2.gz HHUZRFAHCYEGQL-NRFANRHFSA-N 1 2 445.491 0.944 20 0 ICADLO CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CCCC2)no1 ZINC001544066175 1072100266 /nfs/dbraw/zinc/10/02/66/1072100266.db2.gz BUOBKTZKUAUMJX-AWEZNQCLSA-N 1 2 428.559 0.712 20 0 ICADLO CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CCCC2)no1 ZINC001544066176 1072100279 /nfs/dbraw/zinc/10/02/79/1072100279.db2.gz BUOBKTZKUAUMJX-CQSZACIVSA-N 1 2 428.559 0.712 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ncoc1C(F)(F)F ZINC001544078509 1072101462 /nfs/dbraw/zinc/10/14/62/1072101462.db2.gz HUZHIAXOGCQKQV-UHFFFAOYSA-N 1 2 433.412 0.970 20 0 ICADLO C[C@@](O)(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC001544079322 1072101577 /nfs/dbraw/zinc/10/15/77/1072101577.db2.gz MABDBOHTFOKZDV-FQEVSTJZSA-N 1 2 436.509 0.696 20 0 ICADLO C[C@](O)(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC001544079325 1072101609 /nfs/dbraw/zinc/10/16/09/1072101609.db2.gz MABDBOHTFOKZDV-HXUWFJFHSA-N 1 2 436.509 0.696 20 0 ICADLO COc1cccc2c(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)cnn21 ZINC001544080093 1072101534 /nfs/dbraw/zinc/10/15/34/1072101534.db2.gz QFPJXNLKUGRRFE-UHFFFAOYSA-N 1 2 444.517 0.620 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc2[nH]c(=O)[nH]c21 ZINC001544080449 1072101392 /nfs/dbraw/zinc/10/13/92/1072101392.db2.gz SJBOMAHEHZYBMT-UHFFFAOYSA-N 1 2 430.490 0.545 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1[nH]ncc1C(F)(F)F ZINC001544080873 1072101507 /nfs/dbraw/zinc/10/15/07/1072101507.db2.gz VLRKDQJCHFSVFK-UHFFFAOYSA-N 1 2 432.428 0.705 20 0 ICADLO Nc1ncnc2cc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)ccc12 ZINC001544080940 1072101591 /nfs/dbraw/zinc/10/15/91/1072101591.db2.gz WOOPCVAOOUETSO-UHFFFAOYSA-N 1 2 441.517 0.489 20 0 ICADLO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)CC1 ZINC001544087485 1072102252 /nfs/dbraw/zinc/10/22/52/1072102252.db2.gz NDEGXFFDVJBXRQ-UHFFFAOYSA-N 1 2 444.536 0.822 20 0 ICADLO O=C(N[C@@H](CO)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC001544106765 1072102637 /nfs/dbraw/zinc/10/26/37/1072102637.db2.gz LGTNKZVDIWOTHW-FQEVSTJZSA-N 1 2 445.491 0.944 20 0 ICADLO Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001544122827 1072103435 /nfs/dbraw/zinc/10/34/35/1072103435.db2.gz PNPZYTKVOYKHFF-SJORKVTESA-N 1 2 445.969 0.923 20 0 ICADLO C[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001544139337 1072104399 /nfs/dbraw/zinc/10/43/99/1072104399.db2.gz MIRQINLRXOFXFA-BBWFWOEESA-N 1 2 425.574 0.500 20 0 ICADLO C[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001544139337 1072104396 /nfs/dbraw/zinc/10/43/96/1072104396.db2.gz MIRQINLRXOFXFA-BBWFWOEESA-N 1 2 425.574 0.500 20 0 ICADLO C[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@H]1CN(C)CC[N@H+]1C ZINC001544139338 1072104599 /nfs/dbraw/zinc/10/45/99/1072104599.db2.gz MIRQINLRXOFXFA-GVDBMIGSSA-N 1 2 425.574 0.500 20 0 ICADLO C[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001544139338 1072104592 /nfs/dbraw/zinc/10/45/92/1072104592.db2.gz MIRQINLRXOFXFA-GVDBMIGSSA-N 1 2 425.574 0.500 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001544139339 1072104461 /nfs/dbraw/zinc/10/44/61/1072104461.db2.gz MIRQINLRXOFXFA-ULQDDVLXSA-N 1 2 425.574 0.500 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001544139339 1072104456 /nfs/dbraw/zinc/10/44/56/1072104456.db2.gz MIRQINLRXOFXFA-ULQDDVLXSA-N 1 2 425.574 0.500 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@H]1CN(C)CC[N@H+]1C ZINC001544139340 1072104417 /nfs/dbraw/zinc/10/44/17/1072104417.db2.gz MIRQINLRXOFXFA-YESZJQIVSA-N 1 2 425.574 0.500 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001544139340 1072104415 /nfs/dbraw/zinc/10/44/15/1072104415.db2.gz MIRQINLRXOFXFA-YESZJQIVSA-N 1 2 425.574 0.500 20 0 ICADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1oc(S(N)(=O)=O)cc1C ZINC001544291168 1072111998 /nfs/dbraw/zinc/11/19/98/1072111998.db2.gz MVKUPNJQMFGUGH-UHFFFAOYSA-N 1 2 436.490 0.884 20 0 ICADLO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC001544349889 1072113816 /nfs/dbraw/zinc/11/38/16/1072113816.db2.gz DNKPHHUABWXNQZ-UHFFFAOYSA-N 1 2 425.898 0.847 20 0 ICADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 ZINC001544356644 1072113889 /nfs/dbraw/zinc/11/38/89/1072113889.db2.gz XKEDXDDDHNLOKX-FQEVSTJZSA-N 1 2 447.561 0.973 20 0 ICADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 ZINC001544356644 1072113886 /nfs/dbraw/zinc/11/38/86/1072113886.db2.gz XKEDXDDDHNLOKX-FQEVSTJZSA-N 1 2 447.561 0.973 20 0 ICADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 ZINC001544356647 1072113858 /nfs/dbraw/zinc/11/38/58/1072113858.db2.gz XKEDXDDDHNLOKX-HXUWFJFHSA-N 1 2 447.561 0.973 20 0 ICADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 ZINC001544356647 1072113855 /nfs/dbraw/zinc/11/38/55/1072113855.db2.gz XKEDXDDDHNLOKX-HXUWFJFHSA-N 1 2 447.561 0.973 20 0 ICADLO COC(=O)c1cc(S(C)(=O)=O)ccc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001544403887 1072116038 /nfs/dbraw/zinc/11/60/38/1072116038.db2.gz SLALTUIOKGXNOD-DYVFJYSZSA-N 1 2 426.491 0.695 20 0 ICADLO Cc1cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(C)n1NC(N)=O ZINC001544451549 1072117426 /nfs/dbraw/zinc/11/74/26/1072117426.db2.gz VQJHXHNVZQTTAU-UHFFFAOYSA-N 1 2 428.497 0.316 20 0 ICADLO Cc1cc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(C)n1NC(N)=O ZINC001544451549 1072117424 /nfs/dbraw/zinc/11/74/24/1072117424.db2.gz VQJHXHNVZQTTAU-UHFFFAOYSA-N 1 2 428.497 0.316 20 0 ICADLO C[C@@H]1CN(c2ccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)C[C@@H](C)O1 ZINC001544475838 1072117850 /nfs/dbraw/zinc/11/78/50/1072117850.db2.gz ASJSKAPTKOWARV-GGPKGHCWSA-N 1 2 430.549 0.963 20 0 ICADLO C[C@@H]1CN(c2ccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)C[C@H](C)O1 ZINC001544475839 1072117949 /nfs/dbraw/zinc/11/79/49/1072117949.db2.gz ASJSKAPTKOWARV-NSHGMRRFSA-N 1 2 430.549 0.963 20 0 ICADLO C[C@@H]1CN(c2ccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)C[C@@H](C)O1 ZINC001544475841 1072117916 /nfs/dbraw/zinc/11/79/16/1072117916.db2.gz ASJSKAPTKOWARV-QWFCFKBJSA-N 1 2 430.549 0.963 20 0 ICADLO C[C@@H]1CN(c2ccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)C[C@H](C)O1 ZINC001544475842 1072117874 /nfs/dbraw/zinc/11/78/74/1072117874.db2.gz ASJSKAPTKOWARV-WSTZPKSXSA-N 1 2 430.549 0.963 20 0 ICADLO C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2N1 ZINC001544475873 1072117904 /nfs/dbraw/zinc/11/79/04/1072117904.db2.gz BGSJFGLTGNAXAP-UMVBOHGHSA-N 1 2 444.458 0.854 20 0 ICADLO C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2N1 ZINC001544475875 1072118014 /nfs/dbraw/zinc/11/80/14/1072118014.db2.gz BGSJFGLTGNAXAP-VNHYZAJKSA-N 1 2 444.458 0.854 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC001544476059 1072118628 /nfs/dbraw/zinc/11/86/28/1072118628.db2.gz DMSUJBJAJUYGHM-AEFFLSMTSA-N 1 2 433.530 0.757 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC001544476061 1072118625 /nfs/dbraw/zinc/11/86/25/1072118625.db2.gz DMSUJBJAJUYGHM-FUHWJXTLSA-N 1 2 433.530 0.757 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC001544476063 1072118442 /nfs/dbraw/zinc/11/84/42/1072118442.db2.gz DMSUJBJAJUYGHM-SJLPKXTDSA-N 1 2 433.530 0.757 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC001544476064 1072118469 /nfs/dbraw/zinc/11/84/69/1072118469.db2.gz DMSUJBJAJUYGHM-WMZOPIPTSA-N 1 2 433.530 0.757 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)c1ncccc1Br ZINC001544476652 1072118617 /nfs/dbraw/zinc/11/86/17/1072118617.db2.gz LAGXTQGZPVJKBT-GFCCVEGCSA-N 1 2 447.280 0.985 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)c1ncccc1Br ZINC001544476653 1072118566 /nfs/dbraw/zinc/11/85/66/1072118566.db2.gz LAGXTQGZPVJKBT-LBPRGKRZSA-N 1 2 447.280 0.985 20 0 ICADLO O=C(CCN1C(=O)CCc2cc(F)ccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001544476761 1072118537 /nfs/dbraw/zinc/11/85/37/1072118537.db2.gz MJXPINZDNRHWIX-GOSISDBHSA-N 1 2 432.496 0.544 20 0 ICADLO O=C(CCN1C(=O)CCc2cc(F)ccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001544476764 1072118585 /nfs/dbraw/zinc/11/85/85/1072118585.db2.gz MJXPINZDNRHWIX-SFHVURJKSA-N 1 2 432.496 0.544 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001544476950 1072118633 /nfs/dbraw/zinc/11/86/33/1072118633.db2.gz NWEIDHOZAKBFHN-GFCCVEGCSA-N 1 2 426.399 0.411 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001544476951 1072118509 /nfs/dbraw/zinc/11/85/09/1072118509.db2.gz NWEIDHOZAKBFHN-LBPRGKRZSA-N 1 2 426.399 0.411 20 0 ICADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001544477046 1072118579 /nfs/dbraw/zinc/11/85/79/1072118579.db2.gz QDFLKUSABPJRKP-KURKYZTESA-N 1 2 438.569 0.929 20 0 ICADLO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001544477047 1072118602 /nfs/dbraw/zinc/11/86/02/1072118602.db2.gz QDFLKUSABPJRKP-KZNAEPCWSA-N 1 2 438.569 0.929 20 0 ICADLO COc1cc(N)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1Br ZINC001544477157 1072118985 /nfs/dbraw/zinc/11/89/85/1072118985.db2.gz QSADMCLOEOAWEH-GFCCVEGCSA-N 1 2 441.326 0.703 20 0 ICADLO COc1cc(N)c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1Br ZINC001544477160 1072118911 /nfs/dbraw/zinc/11/89/11/1072118911.db2.gz QSADMCLOEOAWEH-LBPRGKRZSA-N 1 2 441.326 0.703 20 0 ICADLO CC(C)(CNC(=O)OC(C)(C)C)CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001544477449 1072118874 /nfs/dbraw/zinc/11/88/74/1072118874.db2.gz VYPVJTJSOGGRNW-INIZCTEOSA-N 1 2 426.558 0.977 20 0 ICADLO CC(C)(CNC(=O)OC(C)(C)C)CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001544477450 1072118854 /nfs/dbraw/zinc/11/88/54/1072118854.db2.gz VYPVJTJSOGGRNW-MRXNPFEDSA-N 1 2 426.558 0.977 20 0 ICADLO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001544477496 1072118833 /nfs/dbraw/zinc/11/88/33/1072118833.db2.gz XMWIJSOFWBNZCF-DVSDUFGPSA-N 1 2 436.553 0.729 20 0 ICADLO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001544477497 1072118963 /nfs/dbraw/zinc/11/89/63/1072118963.db2.gz XMWIJSOFWBNZCF-QNFHRHJVSA-N 1 2 436.553 0.729 20 0 ICADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001544506473 1072121306 /nfs/dbraw/zinc/12/13/06/1072121306.db2.gz KKNBCNHVJSWZNH-APWZRJJASA-N 1 2 447.536 0.919 20 0 ICADLO O=C(CCNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC001544507253 1072121299 /nfs/dbraw/zinc/12/12/99/1072121299.db2.gz VQELVUOMXVFYPO-SFHVURJKSA-N 1 2 443.479 0.167 20 0 ICADLO CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001544511733 1072121374 /nfs/dbraw/zinc/12/13/74/1072121374.db2.gz DGIBFIIJIRNQSU-UHFFFAOYSA-N 1 2 447.536 0.608 20 0 ICADLO O=C(CCNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC001544511747 1072121327 /nfs/dbraw/zinc/12/13/27/1072121327.db2.gz DSHHCTFZZQOQKR-KBPBESRZSA-N 1 2 427.427 0.551 20 0 ICADLO O=C(CCNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC001544511748 1072121302 /nfs/dbraw/zinc/12/13/02/1072121302.db2.gz DSHHCTFZZQOQKR-KGLIPLIRSA-N 1 2 427.427 0.551 20 0 ICADLO O=C(CCNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC001544511749 1072121364 /nfs/dbraw/zinc/12/13/64/1072121364.db2.gz DSHHCTFZZQOQKR-UONOGXRCSA-N 1 2 427.427 0.551 20 0 ICADLO O=C(CCNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC001544511750 1072121347 /nfs/dbraw/zinc/12/13/47/1072121347.db2.gz DSHHCTFZZQOQKR-ZIAGYGMSSA-N 1 2 427.427 0.551 20 0 ICADLO O=C(CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCN(c2ccccc2)CC1 ZINC001544511941 1072121706 /nfs/dbraw/zinc/12/17/06/1072121706.db2.gz JGPKVHXMNAQTNF-RTWAWAEBSA-N 1 2 430.549 0.721 20 0 ICADLO C[C@]1(C(=O)N2CC[NH+](CCn3cncn3)CC2)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001544542154 1072122690 /nfs/dbraw/zinc/12/26/90/1072122690.db2.gz KTADFNDFFJKGRY-DENIHFKCSA-N 1 2 442.520 0.584 20 0 ICADLO C[C@@]1(C(=O)N2CC[NH+](CCn3cncn3)CC2)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001544542337 1072122756 /nfs/dbraw/zinc/12/27/56/1072122756.db2.gz KTADFNDFFJKGRY-KNQAVFIVSA-N 1 2 442.520 0.584 20 0 ICADLO C[C@]1(C(=O)N2CC[NH+](CCn3cncn3)CC2)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001544542338 1072122796 /nfs/dbraw/zinc/12/27/96/1072122796.db2.gz KTADFNDFFJKGRY-SIKLNZKXSA-N 1 2 442.520 0.584 20 0 ICADLO C[C@@]1(C(=O)N2CC[NH+](CCn3cncn3)CC2)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001544542339 1072122724 /nfs/dbraw/zinc/12/27/24/1072122724.db2.gz KTADFNDFFJKGRY-UGKGYDQZSA-N 1 2 442.520 0.584 20 0 ICADLO C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001544544782 1072122835 /nfs/dbraw/zinc/12/28/35/1072122835.db2.gz ONXKINUPECBIIM-INIZCTEOSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001544544783 1072123216 /nfs/dbraw/zinc/12/32/16/1072123216.db2.gz ONXKINUPECBIIM-MRXNPFEDSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001544545149 1072123242 /nfs/dbraw/zinc/12/32/42/1072123242.db2.gz REEUEZYVKYDRNI-INIZCTEOSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001544545149 1072123240 /nfs/dbraw/zinc/12/32/40/1072123240.db2.gz REEUEZYVKYDRNI-INIZCTEOSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001544545151 1072123184 /nfs/dbraw/zinc/12/31/84/1072123184.db2.gz REEUEZYVKYDRNI-MRXNPFEDSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001544545151 1072123181 /nfs/dbraw/zinc/12/31/81/1072123181.db2.gz REEUEZYVKYDRNI-MRXNPFEDSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001544569644 1072125674 /nfs/dbraw/zinc/12/56/74/1072125674.db2.gz WGXHYCXRHJQRAT-GDBMZVCRSA-N 1 2 447.565 0.356 20 0 ICADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001544569645 1072125601 /nfs/dbraw/zinc/12/56/01/1072125601.db2.gz WGXHYCXRHJQRAT-GOEBONIOSA-N 1 2 447.565 0.356 20 0 ICADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001544569646 1072125639 /nfs/dbraw/zinc/12/56/39/1072125639.db2.gz WGXHYCXRHJQRAT-HOCLYGCPSA-N 1 2 447.565 0.356 20 0 ICADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001544569647 1072125698 /nfs/dbraw/zinc/12/56/98/1072125698.db2.gz WGXHYCXRHJQRAT-ZBFHGGJFSA-N 1 2 447.565 0.356 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001544638957 1072130941 /nfs/dbraw/zinc/13/09/41/1072130941.db2.gz APQPIFUMXGKRKX-ARFHVFGLSA-N 1 2 430.575 0.224 20 0 ICADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001544638958 1072130757 /nfs/dbraw/zinc/13/07/57/1072130757.db2.gz APQPIFUMXGKRKX-BZUAXINKSA-N 1 2 430.575 0.224 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001544638959 1072130886 /nfs/dbraw/zinc/13/08/86/1072130886.db2.gz APQPIFUMXGKRKX-OAGGEKHMSA-N 1 2 430.575 0.224 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001544638960 1072130769 /nfs/dbraw/zinc/13/07/69/1072130769.db2.gz APQPIFUMXGKRKX-XHSDSOJGSA-N 1 2 430.575 0.224 20 0 ICADLO CN(CC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccnc1 ZINC001544645119 1072132488 /nfs/dbraw/zinc/13/24/88/1072132488.db2.gz JOEDIQHNNHSRER-UHFFFAOYSA-N 1 2 426.539 0.624 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001544654232 1072133474 /nfs/dbraw/zinc/13/34/74/1072133474.db2.gz PQXLZSJVDWZYHW-FPCVCCKLSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001544654232 1072133471 /nfs/dbraw/zinc/13/34/71/1072133471.db2.gz PQXLZSJVDWZYHW-FPCVCCKLSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001544654235 1072133512 /nfs/dbraw/zinc/13/35/12/1072133512.db2.gz PQXLZSJVDWZYHW-JJXSEGSLSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001544654235 1072133509 /nfs/dbraw/zinc/13/35/09/1072133509.db2.gz PQXLZSJVDWZYHW-JJXSEGSLSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001544654236 1072133538 /nfs/dbraw/zinc/13/35/38/1072133538.db2.gz PQXLZSJVDWZYHW-JONQDZQNSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001544654236 1072133534 /nfs/dbraw/zinc/13/35/34/1072133534.db2.gz PQXLZSJVDWZYHW-JONQDZQNSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001544654237 1072133437 /nfs/dbraw/zinc/13/34/37/1072133437.db2.gz PQXLZSJVDWZYHW-WCVJEAGWSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001544654237 1072133431 /nfs/dbraw/zinc/13/34/31/1072133431.db2.gz PQXLZSJVDWZYHW-WCVJEAGWSA-N 1 2 430.575 0.223 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)cc1 ZINC001544669540 1072134036 /nfs/dbraw/zinc/13/40/36/1072134036.db2.gz QPRMVWWLLWNNPX-IBGZPJMESA-N 1 2 430.530 0.810 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)cc1 ZINC001544669540 1072134032 /nfs/dbraw/zinc/13/40/32/1072134032.db2.gz QPRMVWWLLWNNPX-IBGZPJMESA-N 1 2 430.530 0.810 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)cc1 ZINC001544669541 1072134531 /nfs/dbraw/zinc/13/45/31/1072134531.db2.gz QPRMVWWLLWNNPX-LJQANCHMSA-N 1 2 430.530 0.810 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)cc1 ZINC001544669541 1072134527 /nfs/dbraw/zinc/13/45/27/1072134527.db2.gz QPRMVWWLLWNNPX-LJQANCHMSA-N 1 2 430.530 0.810 20 0 ICADLO CCOC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(OC)c1 ZINC001544715388 1072136692 /nfs/dbraw/zinc/13/66/92/1072136692.db2.gz SERPTRMTMLMQIB-AZUAARDMSA-N 1 2 447.532 0.986 20 0 ICADLO CCOC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(OC)c1 ZINC001544715390 1072136572 /nfs/dbraw/zinc/13/65/72/1072136572.db2.gz SERPTRMTMLMQIB-ICSRJNTNSA-N 1 2 447.532 0.986 20 0 ICADLO CCOC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(OC)c1 ZINC001544715393 1072136544 /nfs/dbraw/zinc/13/65/44/1072136544.db2.gz SERPTRMTMLMQIB-UYAOXDASSA-N 1 2 447.532 0.986 20 0 ICADLO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC001544773043 1072140765 /nfs/dbraw/zinc/14/07/65/1072140765.db2.gz SQIJTQGAXBJURU-ABAIWWIYSA-N 1 2 425.523 0.964 20 0 ICADLO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC001544773043 1072140763 /nfs/dbraw/zinc/14/07/63/1072140763.db2.gz SQIJTQGAXBJURU-ABAIWWIYSA-N 1 2 425.523 0.964 20 0 ICADLO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC001544773044 1072140731 /nfs/dbraw/zinc/14/07/31/1072140731.db2.gz SQIJTQGAXBJURU-IAQYHMDHSA-N 1 2 425.523 0.964 20 0 ICADLO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC001544773044 1072140727 /nfs/dbraw/zinc/14/07/27/1072140727.db2.gz SQIJTQGAXBJURU-IAQYHMDHSA-N 1 2 425.523 0.964 20 0 ICADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC001544773045 1072140635 /nfs/dbraw/zinc/14/06/35/1072140635.db2.gz SQIJTQGAXBJURU-NHYWBVRUSA-N 1 2 425.523 0.964 20 0 ICADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC001544773045 1072140628 /nfs/dbraw/zinc/14/06/28/1072140628.db2.gz SQIJTQGAXBJURU-NHYWBVRUSA-N 1 2 425.523 0.964 20 0 ICADLO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC001544773046 1072140617 /nfs/dbraw/zinc/14/06/17/1072140617.db2.gz SQIJTQGAXBJURU-XHDPSFHLSA-N 1 2 425.523 0.964 20 0 ICADLO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC001544773046 1072140611 /nfs/dbraw/zinc/14/06/11/1072140611.db2.gz SQIJTQGAXBJURU-XHDPSFHLSA-N 1 2 425.523 0.964 20 0 ICADLO CC(=O)N1CCN(c2ccccc2CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001544870161 1072148132 /nfs/dbraw/zinc/14/81/32/1072148132.db2.gz HFMHETJWZZZRAF-IRLDBZIGSA-N 1 2 430.549 0.851 20 0 ICADLO C[C@]1(c2cccc(CNC(=O)c3cccn3CC[NH+]3CCOCC3)c2)NC(=O)NC1=O ZINC001545078828 1072163420 /nfs/dbraw/zinc/16/34/20/1072163420.db2.gz CUDKJEJXASKWPF-JOCHJYFZSA-N 1 2 425.489 0.805 20 0 ICADLO C[C@@]1(c2cccc(CNC(=O)c3cccn3CC[NH+]3CCOCC3)c2)NC(=O)NC1=O ZINC001545078830 1072163326 /nfs/dbraw/zinc/16/33/26/1072163326.db2.gz CUDKJEJXASKWPF-QFIPXVFZSA-N 1 2 425.489 0.805 20 0 ICADLO C[C@@H]1C[N@H+](CCCn2c(Cc3ccncc3)nnc2N2CCS(=O)(=O)CC2)C[C@H](C)O1 ZINC001545098187 1072166386 /nfs/dbraw/zinc/16/63/86/1072166386.db2.gz CJZBATDSVGQRJQ-HDICACEKSA-N 1 2 448.593 0.998 20 0 ICADLO C[C@@H]1C[N@@H+](CCCn2c(Cc3ccncc3)nnc2N2CCS(=O)(=O)CC2)C[C@H](C)O1 ZINC001545098187 1072166380 /nfs/dbraw/zinc/16/63/80/1072166380.db2.gz CJZBATDSVGQRJQ-HDICACEKSA-N 1 2 448.593 0.998 20 0 ICADLO C[C@@H]1C[NH+](CCCn2c(Cc3ccncc3)nnc2N2CCS(=O)(=O)CC2)C[C@@H](C)O1 ZINC001545098188 1072166057 /nfs/dbraw/zinc/16/60/57/1072166057.db2.gz CJZBATDSVGQRJQ-QZTJIDSGSA-N 1 2 448.593 0.998 20 0 ICADLO C[C@H]1C[NH+](CCCn2c(Cc3ccncc3)nnc2N2CCS(=O)(=O)CC2)C[C@H](C)O1 ZINC001545098189 1072166301 /nfs/dbraw/zinc/16/63/01/1072166301.db2.gz CJZBATDSVGQRJQ-ROUUACIJSA-N 1 2 448.593 0.998 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001545125112 1072171213 /nfs/dbraw/zinc/17/12/13/1072171213.db2.gz GAMHTWKRLHPYGE-MSOLQXFVSA-N 1 2 428.537 0.932 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001545125112 1072171207 /nfs/dbraw/zinc/17/12/07/1072171207.db2.gz GAMHTWKRLHPYGE-MSOLQXFVSA-N 1 2 428.537 0.932 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001545125113 1072171005 /nfs/dbraw/zinc/17/10/05/1072171005.db2.gz GAMHTWKRLHPYGE-QZTJIDSGSA-N 1 2 428.537 0.932 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001545125113 1072170989 /nfs/dbraw/zinc/17/09/89/1072170989.db2.gz GAMHTWKRLHPYGE-QZTJIDSGSA-N 1 2 428.537 0.932 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001545125114 1072171038 /nfs/dbraw/zinc/17/10/38/1072171038.db2.gz GAMHTWKRLHPYGE-ROUUACIJSA-N 1 2 428.537 0.932 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001545125114 1072171030 /nfs/dbraw/zinc/17/10/30/1072171030.db2.gz GAMHTWKRLHPYGE-ROUUACIJSA-N 1 2 428.537 0.932 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001545125115 1072171178 /nfs/dbraw/zinc/17/11/78/1072171178.db2.gz GAMHTWKRLHPYGE-ZWKOTPCHSA-N 1 2 428.537 0.932 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001545125115 1072171172 /nfs/dbraw/zinc/17/11/72/1072171172.db2.gz GAMHTWKRLHPYGE-ZWKOTPCHSA-N 1 2 428.537 0.932 20 0 ICADLO C[C@H]1CN(c2nnc(CC3CC3)n2CC[N@H+]2CCOC[C@@H]2C)CCN1S(C)(=O)=O ZINC001545125560 1072171195 /nfs/dbraw/zinc/17/11/95/1072171195.db2.gz NSASJKIDRMXSFE-HOTGVXAUSA-N 1 2 426.587 0.421 20 0 ICADLO C[C@H]1CN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOC[C@@H]2C)CCN1S(C)(=O)=O ZINC001545125560 1072171192 /nfs/dbraw/zinc/17/11/92/1072171192.db2.gz NSASJKIDRMXSFE-HOTGVXAUSA-N 1 2 426.587 0.421 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001545125561 1072171073 /nfs/dbraw/zinc/17/10/73/1072171073.db2.gz NSASJKIDRMXSFE-JKSUJKDBSA-N 1 2 426.587 0.421 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001545125561 1072171062 /nfs/dbraw/zinc/17/10/62/1072171062.db2.gz NSASJKIDRMXSFE-JKSUJKDBSA-N 1 2 426.587 0.421 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001545125562 1072170873 /nfs/dbraw/zinc/17/08/73/1072170873.db2.gz NUMVFVZFGIHZOX-AEFFLSMTSA-N 1 2 440.614 0.717 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001545125562 1072170863 /nfs/dbraw/zinc/17/08/63/1072170863.db2.gz NUMVFVZFGIHZOX-AEFFLSMTSA-N 1 2 440.614 0.717 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001545125563 1072171128 /nfs/dbraw/zinc/17/11/28/1072171128.db2.gz NUMVFVZFGIHZOX-FUHWJXTLSA-N 1 2 440.614 0.717 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001545125563 1072171123 /nfs/dbraw/zinc/17/11/23/1072171123.db2.gz NUMVFVZFGIHZOX-FUHWJXTLSA-N 1 2 440.614 0.717 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001545125564 1072171161 /nfs/dbraw/zinc/17/11/61/1072171161.db2.gz NUMVFVZFGIHZOX-SJLPKXTDSA-N 1 2 440.614 0.717 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001545125564 1072171155 /nfs/dbraw/zinc/17/11/55/1072171155.db2.gz NUMVFVZFGIHZOX-SJLPKXTDSA-N 1 2 440.614 0.717 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001545125565 1072171863 /nfs/dbraw/zinc/17/18/63/1072171863.db2.gz NUMVFVZFGIHZOX-WMZOPIPTSA-N 1 2 440.614 0.717 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001545125565 1072171857 /nfs/dbraw/zinc/17/18/57/1072171857.db2.gz NUMVFVZFGIHZOX-WMZOPIPTSA-N 1 2 440.614 0.717 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001545125734 1072171794 /nfs/dbraw/zinc/17/17/94/1072171794.db2.gz QIUPGUQZXAAAQW-INIZCTEOSA-N 1 2 440.614 0.812 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001545125734 1072171787 /nfs/dbraw/zinc/17/17/87/1072171787.db2.gz QIUPGUQZXAAAQW-INIZCTEOSA-N 1 2 440.614 0.812 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001545125735 1072171658 /nfs/dbraw/zinc/17/16/58/1072171658.db2.gz QIUPGUQZXAAAQW-MRXNPFEDSA-N 1 2 440.614 0.812 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001545125735 1072171651 /nfs/dbraw/zinc/17/16/51/1072171651.db2.gz QIUPGUQZXAAAQW-MRXNPFEDSA-N 1 2 440.614 0.812 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545126128 1072171927 /nfs/dbraw/zinc/17/19/27/1072171927.db2.gz XTSLOCOIXHUMNM-MOPGFXCFSA-N 1 2 449.600 0.103 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545126128 1072171919 /nfs/dbraw/zinc/17/19/19/1072171919.db2.gz XTSLOCOIXHUMNM-MOPGFXCFSA-N 1 2 449.600 0.103 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545126129 1072171731 /nfs/dbraw/zinc/17/17/31/1072171731.db2.gz XTSLOCOIXHUMNM-OALUTQOASA-N 1 2 449.600 0.103 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545126129 1072171727 /nfs/dbraw/zinc/17/17/27/1072171727.db2.gz XTSLOCOIXHUMNM-OALUTQOASA-N 1 2 449.600 0.103 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545126130 1072171742 /nfs/dbraw/zinc/17/17/42/1072171742.db2.gz XTSLOCOIXHUMNM-RBUKOAKNSA-N 1 2 449.600 0.103 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545126130 1072171740 /nfs/dbraw/zinc/17/17/40/1072171740.db2.gz XTSLOCOIXHUMNM-RBUKOAKNSA-N 1 2 449.600 0.103 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545126131 1072171877 /nfs/dbraw/zinc/17/18/77/1072171877.db2.gz XTSLOCOIXHUMNM-RTBURBONSA-N 1 2 449.600 0.103 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545126131 1072171873 /nfs/dbraw/zinc/17/18/73/1072171873.db2.gz XTSLOCOIXHUMNM-RTBURBONSA-N 1 2 449.600 0.103 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2ccsc2)nnc1N(C)CCNS(C)(=O)=O ZINC001545126150 1072171691 /nfs/dbraw/zinc/17/16/91/1072171691.db2.gz YAZNMTFBGXUDLA-HNNXBMFYSA-N 1 2 442.611 0.637 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccsc2)nnc1N(C)CCNS(C)(=O)=O ZINC001545126150 1072171687 /nfs/dbraw/zinc/17/16/87/1072171687.db2.gz YAZNMTFBGXUDLA-HNNXBMFYSA-N 1 2 442.611 0.637 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccsc2)nnc1N(C)CCNS(C)(=O)=O ZINC001545126151 1072171812 /nfs/dbraw/zinc/17/18/12/1072171812.db2.gz YAZNMTFBGXUDLA-OAHLLOKOSA-N 1 2 442.611 0.637 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccsc2)nnc1N(C)CCNS(C)(=O)=O ZINC001545126151 1072171808 /nfs/dbraw/zinc/17/18/08/1072171808.db2.gz YAZNMTFBGXUDLA-OAHLLOKOSA-N 1 2 442.611 0.637 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545126944 1072171765 /nfs/dbraw/zinc/17/17/65/1072171765.db2.gz AARCQTUGOLWNQZ-QZTJIDSGSA-N 1 2 435.573 0.061 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545126944 1072171760 /nfs/dbraw/zinc/17/17/60/1072171760.db2.gz AARCQTUGOLWNQZ-QZTJIDSGSA-N 1 2 435.573 0.061 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545126945 1072171831 /nfs/dbraw/zinc/17/18/31/1072171831.db2.gz AARCQTUGOLWNQZ-ZWKOTPCHSA-N 1 2 435.573 0.061 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001545126945 1072171828 /nfs/dbraw/zinc/17/18/28/1072171828.db2.gz AARCQTUGOLWNQZ-ZWKOTPCHSA-N 1 2 435.573 0.061 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C ZINC001545127602 1072171902 /nfs/dbraw/zinc/17/19/02/1072171902.db2.gz OQEUSHJXAWHFLB-KRWDZBQOSA-N 1 2 433.601 0.697 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C ZINC001545127602 1072171895 /nfs/dbraw/zinc/17/18/95/1072171895.db2.gz OQEUSHJXAWHFLB-KRWDZBQOSA-N 1 2 433.601 0.697 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C ZINC001545127603 1072171708 /nfs/dbraw/zinc/17/17/08/1072171708.db2.gz OQEUSHJXAWHFLB-QGZVFWFLSA-N 1 2 433.601 0.697 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C ZINC001545127603 1072171702 /nfs/dbraw/zinc/17/17/02/1072171702.db2.gz OQEUSHJXAWHFLB-QGZVFWFLSA-N 1 2 433.601 0.697 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C ZINC001545127616 1072171848 /nfs/dbraw/zinc/17/18/48/1072171848.db2.gz PFPQSSHEQHGCGH-INIZCTEOSA-N 1 2 428.603 0.768 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C ZINC001545127616 1072171844 /nfs/dbraw/zinc/17/18/44/1072171844.db2.gz PFPQSSHEQHGCGH-INIZCTEOSA-N 1 2 428.603 0.768 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C ZINC001545127617 1072172534 /nfs/dbraw/zinc/17/25/34/1072172534.db2.gz PFPQSSHEQHGCGH-MRXNPFEDSA-N 1 2 428.603 0.768 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C ZINC001545127617 1072172532 /nfs/dbraw/zinc/17/25/32/1072172532.db2.gz PFPQSSHEQHGCGH-MRXNPFEDSA-N 1 2 428.603 0.768 20 0 ICADLO C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001545142799 1072173220 /nfs/dbraw/zinc/17/32/20/1072173220.db2.gz ALYFYCVPLFIEBW-HRAATJIYSA-N 1 2 445.524 0.234 20 0 ICADLO C[C@H]1OCC[C@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001545142800 1072173194 /nfs/dbraw/zinc/17/31/94/1072173194.db2.gz ALYFYCVPLFIEBW-IERDGZPVSA-N 1 2 445.524 0.234 20 0 ICADLO C[C@H]1OCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001545142801 1072173282 /nfs/dbraw/zinc/17/32/82/1072173282.db2.gz ALYFYCVPLFIEBW-IIBYNOLFSA-N 1 2 445.524 0.234 20 0 ICADLO C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001545142802 1072173246 /nfs/dbraw/zinc/17/32/46/1072173246.db2.gz ALYFYCVPLFIEBW-KKSFZXQISA-N 1 2 445.524 0.234 20 0 ICADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC001545152671 1072177698 /nfs/dbraw/zinc/17/76/98/1072177698.db2.gz PMWVVMQNWUHACM-UHFFFAOYSA-N 1 2 442.582 0.333 20 0 ICADLO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001545178053 1072180837 /nfs/dbraw/zinc/18/08/37/1072180837.db2.gz SKBSYFKKKBTFEZ-MOPGFXCFSA-N 1 2 447.584 0.441 20 0 ICADLO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001545178054 1072180894 /nfs/dbraw/zinc/18/08/94/1072180894.db2.gz SKBSYFKKKBTFEZ-OALUTQOASA-N 1 2 447.584 0.441 20 0 ICADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001545178055 1072180923 /nfs/dbraw/zinc/18/09/23/1072180923.db2.gz SKBSYFKKKBTFEZ-RBUKOAKNSA-N 1 2 447.584 0.441 20 0 ICADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001545178056 1072180916 /nfs/dbraw/zinc/18/09/16/1072180916.db2.gz SKBSYFKKKBTFEZ-RTBURBONSA-N 1 2 447.584 0.441 20 0 ICADLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC001545253794 1072188352 /nfs/dbraw/zinc/18/83/52/1072188352.db2.gz XPSUSRGHYVOLOW-UHFFFAOYSA-N 1 2 446.957 0.286 20 0 ICADLO C[NH+](C)CCCN(C(=O)[C@@H](CS(C)(=O)=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001545270227 1072189566 /nfs/dbraw/zinc/18/95/66/1072189566.db2.gz ZBWGKLVWBDGMON-MSOLQXFVSA-N 1 2 430.592 0.782 20 0 ICADLO C[NH+](C)CCCN(C(=O)[C@H](CS(C)(=O)=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001545270228 1072189416 /nfs/dbraw/zinc/18/94/16/1072189416.db2.gz ZBWGKLVWBDGMON-QZTJIDSGSA-N 1 2 430.592 0.782 20 0 ICADLO C[NH+](C)CCCN(C(=O)[C@@H](CS(C)(=O)=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001545270229 1072189529 /nfs/dbraw/zinc/18/95/29/1072189529.db2.gz ZBWGKLVWBDGMON-ROUUACIJSA-N 1 2 430.592 0.782 20 0 ICADLO C[NH+](C)CCCN(C(=O)[C@H](CS(C)(=O)=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001545270230 1072189542 /nfs/dbraw/zinc/18/95/42/1072189542.db2.gz ZBWGKLVWBDGMON-ZWKOTPCHSA-N 1 2 430.592 0.782 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1 ZINC001545301277 1072191160 /nfs/dbraw/zinc/19/11/60/1072191160.db2.gz DMLVXFLUNWOXQI-HNNXBMFYSA-N 1 2 428.555 0.862 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1 ZINC001545301278 1072190976 /nfs/dbraw/zinc/19/09/76/1072190976.db2.gz DMLVXFLUNWOXQI-OAHLLOKOSA-N 1 2 428.555 0.862 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1 ZINC001545301300 1072191116 /nfs/dbraw/zinc/19/11/16/1072191116.db2.gz FFOZGPOGWOFUHK-INIZCTEOSA-N 1 2 425.530 0.563 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1 ZINC001545301301 1072191050 /nfs/dbraw/zinc/19/10/50/1072191050.db2.gz FFOZGPOGWOFUHK-MRXNPFEDSA-N 1 2 425.530 0.563 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC001545301714 1072190649 /nfs/dbraw/zinc/19/06/49/1072190649.db2.gz ORKNXLPQZZICLB-SECBINFHSA-N 1 2 429.237 0.967 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC001545301715 1072190567 /nfs/dbraw/zinc/19/05/67/1072190567.db2.gz ORKNXLPQZZICLB-VIFPVBQESA-N 1 2 429.237 0.967 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001545302060 1072191133 /nfs/dbraw/zinc/19/11/33/1072191133.db2.gz WYGKHJSXYSOSDD-CNNODRBYSA-N 1 2 435.521 0.300 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001545302061 1072191064 /nfs/dbraw/zinc/19/10/64/1072191064.db2.gz WYGKHJSXYSOSDD-DXIQSLLYSA-N 1 2 435.521 0.300 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001545302062 1072190985 /nfs/dbraw/zinc/19/09/85/1072190985.db2.gz WYGKHJSXYSOSDD-IPJJNNNSSA-N 1 2 435.521 0.300 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001545302063 1072191079 /nfs/dbraw/zinc/19/10/79/1072191079.db2.gz WYGKHJSXYSOSDD-XQBPLPMBSA-N 1 2 435.521 0.300 20 0 ICADLO O=C(OCc1ccccc1)N1CCOC[C@@H]1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001545512326 1072199703 /nfs/dbraw/zinc/19/97/03/1072199703.db2.gz BTEAQSIAPNSUNR-LEWJYISDSA-N 1 2 447.532 0.974 20 0 ICADLO O=C(OCc1ccccc1)N1CCOC[C@@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001545512327 1072199588 /nfs/dbraw/zinc/19/95/88/1072199588.db2.gz BTEAQSIAPNSUNR-NHCUHLMSSA-N 1 2 447.532 0.974 20 0 ICADLO O=C(OCc1ccccc1)N1CCOC[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001545512328 1072199783 /nfs/dbraw/zinc/19/97/83/1072199783.db2.gz BTEAQSIAPNSUNR-RTWAWAEBSA-N 1 2 447.532 0.974 20 0 ICADLO O=C(OCc1ccccc1)N1CCOC[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001545512329 1072199659 /nfs/dbraw/zinc/19/96/59/1072199659.db2.gz BTEAQSIAPNSUNR-SFTDATJTSA-N 1 2 447.532 0.974 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)C1 ZINC001545512334 1072199577 /nfs/dbraw/zinc/19/95/77/1072199577.db2.gz CCZJPZGBSWYTAI-JBYIUTFZSA-N 1 2 439.553 0.820 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)C1 ZINC001545512335 1072199729 /nfs/dbraw/zinc/19/97/29/1072199729.db2.gz CCZJPZGBSWYTAI-KGVIQGDOSA-N 1 2 439.553 0.820 20 0 ICADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001545512480 1072200078 /nfs/dbraw/zinc/20/00/78/1072200078.db2.gz HQPKENZLGSHRLA-DLBZAZTESA-N 1 2 443.541 0.783 20 0 ICADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001545512481 1072200301 /nfs/dbraw/zinc/20/03/01/1072200301.db2.gz HQPKENZLGSHRLA-IAGOWNOFSA-N 1 2 443.541 0.783 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)C1 ZINC001545512838 1072200280 /nfs/dbraw/zinc/20/02/80/1072200280.db2.gz PXUSYCNQFZZVJI-NJNPRVFISA-N 1 2 439.553 0.962 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)C1 ZINC001545512839 1072200135 /nfs/dbraw/zinc/20/01/35/1072200135.db2.gz PXUSYCNQFZZVJI-NPPFBWRTSA-N 1 2 439.553 0.962 20 0 ICADLO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001545512843 1072200108 /nfs/dbraw/zinc/20/01/08/1072200108.db2.gz QCLREAKSALZCHO-BZSNNMDCSA-N 1 2 427.542 0.866 20 0 ICADLO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001545512844 1072200180 /nfs/dbraw/zinc/20/01/80/1072200180.db2.gz QCLREAKSALZCHO-KSZLIROESA-N 1 2 427.542 0.866 20 0 ICADLO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001545512845 1072200255 /nfs/dbraw/zinc/20/02/55/1072200255.db2.gz QCLREAKSALZCHO-KURKYZTESA-N 1 2 427.542 0.866 20 0 ICADLO CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001545512846 1072200397 /nfs/dbraw/zinc/20/03/97/1072200397.db2.gz QCLREAKSALZCHO-SQNIBIBYSA-N 1 2 427.542 0.866 20 0 ICADLO COc1cc(N)c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1S(C)(=O)=O ZINC001545512887 1072200364 /nfs/dbraw/zinc/20/03/64/1072200364.db2.gz QWONRTHDOKUZCH-AWEZNQCLSA-N 1 2 427.523 0.244 20 0 ICADLO COc1cc(N)c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1S(C)(=O)=O ZINC001545512888 1072200213 /nfs/dbraw/zinc/20/02/13/1072200213.db2.gz QWONRTHDOKUZCH-CQSZACIVSA-N 1 2 427.523 0.244 20 0 ICADLO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001545550674 1072203038 /nfs/dbraw/zinc/20/30/38/1072203038.db2.gz JJYVWCIXYAIYQA-GOSISDBHSA-N 1 2 433.601 0.867 20 0 ICADLO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001545550675 1072202897 /nfs/dbraw/zinc/20/28/97/1072202897.db2.gz JJYVWCIXYAIYQA-SFHVURJKSA-N 1 2 433.601 0.867 20 0 ICADLO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001545566804 1072204007 /nfs/dbraw/zinc/20/40/07/1072204007.db2.gz QITRFUANDUAQGT-INIZCTEOSA-N 1 2 426.587 0.738 20 0 ICADLO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001545566805 1072203856 /nfs/dbraw/zinc/20/38/56/1072203856.db2.gz QITRFUANDUAQGT-MRXNPFEDSA-N 1 2 426.587 0.738 20 0 ICADLO CC[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001545569361 1072204853 /nfs/dbraw/zinc/20/48/53/1072204853.db2.gz RFGCKPZLAUXDHX-CVEARBPZSA-N 1 2 426.525 0.836 20 0 ICADLO CC[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001545569362 1072204927 /nfs/dbraw/zinc/20/49/27/1072204927.db2.gz RFGCKPZLAUXDHX-HOTGVXAUSA-N 1 2 426.525 0.836 20 0 ICADLO CC[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001545569363 1072204996 /nfs/dbraw/zinc/20/49/96/1072204996.db2.gz RFGCKPZLAUXDHX-HZPDHXFCSA-N 1 2 426.525 0.836 20 0 ICADLO CC[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001545569364 1072205011 /nfs/dbraw/zinc/20/50/11/1072205011.db2.gz RFGCKPZLAUXDHX-JKSUJKDBSA-N 1 2 426.525 0.836 20 0 ICADLO CC[C@@H](C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001545607056 1072207448 /nfs/dbraw/zinc/20/74/48/1072207448.db2.gz HNOWRZXSQCKCME-QRQLOZEOSA-N 1 2 431.585 0.918 20 0 ICADLO CC[C@H](C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001545607057 1072207619 /nfs/dbraw/zinc/20/76/19/1072207619.db2.gz HNOWRZXSQCKCME-UHOSZYNNSA-N 1 2 431.585 0.918 20 0 ICADLO CC[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001545615735 1072207671 /nfs/dbraw/zinc/20/76/71/1072207671.db2.gz MVLPYVFJDWVGRL-CVEARBPZSA-N 1 2 443.618 0.535 20 0 ICADLO CC[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001545615736 1072207597 /nfs/dbraw/zinc/20/75/97/1072207597.db2.gz MVLPYVFJDWVGRL-HOTGVXAUSA-N 1 2 443.618 0.535 20 0 ICADLO CC[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001545615737 1072208228 /nfs/dbraw/zinc/20/82/28/1072208228.db2.gz MVLPYVFJDWVGRL-HZPDHXFCSA-N 1 2 443.618 0.535 20 0 ICADLO CC[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001545615738 1072208085 /nfs/dbraw/zinc/20/80/85/1072208085.db2.gz MVLPYVFJDWVGRL-JKSUJKDBSA-N 1 2 443.618 0.535 20 0 ICADLO NS(=O)(=O)c1ccc(O)c(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001546248798 1070201084 /nfs/dbraw/zinc/20/10/84/1070201084.db2.gz NGSIYKUDABFPCZ-UHFFFAOYSA-N 1 2 432.502 0.114 20 0 ICADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C[C@H]1C ZINC001546258814 1070240588 /nfs/dbraw/zinc/24/05/88/1070240588.db2.gz AYFTXPRBZBKPMF-CYBMUJFWSA-N 1 2 435.502 0.703 20 0 ICADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C[C@H]1C ZINC001546258814 1070240572 /nfs/dbraw/zinc/24/05/72/1070240572.db2.gz AYFTXPRBZBKPMF-CYBMUJFWSA-N 1 2 435.502 0.703 20 0 ICADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C[C@@H]1C ZINC001546258815 1070241146 /nfs/dbraw/zinc/24/11/46/1070241146.db2.gz AYFTXPRBZBKPMF-ZDUSSCGKSA-N 1 2 435.502 0.703 20 0 ICADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C[C@@H]1C ZINC001546258815 1070241136 /nfs/dbraw/zinc/24/11/36/1070241136.db2.gz AYFTXPRBZBKPMF-ZDUSSCGKSA-N 1 2 435.502 0.703 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Cc3nnc(N)s3)cc2)CC1 ZINC001546289416 1070904399 /nfs/dbraw/zinc/90/43/99/1070904399.db2.gz JNPRCGFATUXGHT-UHFFFAOYSA-N 1 2 432.550 0.565 20 0 ICADLO CC[C@]1(C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)CCNC1=O ZINC001546289602 1070913473 /nfs/dbraw/zinc/91/34/73/1070913473.db2.gz OFCORVHVOWALNB-HSZRJFAPSA-N 1 2 430.549 0.805 20 0 ICADLO CC[C@@]1(C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)CCNC1=O ZINC001546289603 1070913576 /nfs/dbraw/zinc/91/35/76/1070913576.db2.gz OFCORVHVOWALNB-QHCPKHFHSA-N 1 2 430.549 0.805 20 0 ICADLO CCc1nnc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001546398586 1071225473 /nfs/dbraw/zinc/22/54/73/1071225473.db2.gz VESCMVFJLFMZDP-UHFFFAOYSA-N 1 2 434.570 0.745 20 0 ICADLO CCc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546411525 1071244653 /nfs/dbraw/zinc/24/46/53/1071244653.db2.gz ZPJOKCZPXKIAKB-IBGZPJMESA-N 1 2 441.584 0.900 20 0 ICADLO CCc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546411526 1071244588 /nfs/dbraw/zinc/24/45/88/1071244588.db2.gz ZPJOKCZPXKIAKB-LJQANCHMSA-N 1 2 441.584 0.900 20 0 ICADLO CCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001546412331 1071248061 /nfs/dbraw/zinc/24/80/61/1071248061.db2.gz HFCMWMHHMJQRFR-CABCVRRESA-N 1 2 434.570 0.965 20 0 ICADLO CCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001546412331 1071248052 /nfs/dbraw/zinc/24/80/52/1071248052.db2.gz HFCMWMHHMJQRFR-CABCVRRESA-N 1 2 434.570 0.965 20 0 ICADLO CCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001546412332 1071248017 /nfs/dbraw/zinc/24/80/17/1071248017.db2.gz HFCMWMHHMJQRFR-GJZGRUSLSA-N 1 2 434.570 0.965 20 0 ICADLO CCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001546412332 1071248006 /nfs/dbraw/zinc/24/80/06/1071248006.db2.gz HFCMWMHHMJQRFR-GJZGRUSLSA-N 1 2 434.570 0.965 20 0 ICADLO CCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001546412333 1071248116 /nfs/dbraw/zinc/24/81/16/1071248116.db2.gz HFCMWMHHMJQRFR-HUUCEWRRSA-N 1 2 434.570 0.965 20 0 ICADLO CCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001546412333 1071248111 /nfs/dbraw/zinc/24/81/11/1071248111.db2.gz HFCMWMHHMJQRFR-HUUCEWRRSA-N 1 2 434.570 0.965 20 0 ICADLO CCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001546412334 1071248160 /nfs/dbraw/zinc/24/81/60/1071248160.db2.gz HFCMWMHHMJQRFR-LSDHHAIUSA-N 1 2 434.570 0.965 20 0 ICADLO CCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001546412334 1071248152 /nfs/dbraw/zinc/24/81/52/1071248152.db2.gz HFCMWMHHMJQRFR-LSDHHAIUSA-N 1 2 434.570 0.965 20 0 ICADLO CCc1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001546412945 1071250614 /nfs/dbraw/zinc/25/06/14/1071250614.db2.gz SLDHEUVQKAXBEV-UHFFFAOYSA-N 1 2 429.525 0.415 20 0 ICADLO CCc1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001546430624 1071305100 /nfs/dbraw/zinc/30/51/00/1071305100.db2.gz PIFGJTOBOJICNZ-HNNXBMFYSA-N 1 2 437.570 0.494 20 0 ICADLO CCc1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001546430625 1071304952 /nfs/dbraw/zinc/30/49/52/1071304952.db2.gz PIFGJTOBOJICNZ-OAHLLOKOSA-N 1 2 437.570 0.494 20 0 ICADLO CCc1nnc(N2CCC(C(=O)NCCCOC)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546457865 1071372297 /nfs/dbraw/zinc/37/22/97/1071372297.db2.gz XFAGRJJAMAJCIQ-UHFFFAOYSA-N 1 2 449.600 0.374 20 0 ICADLO CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001546477617 1071435258 /nfs/dbraw/zinc/43/52/58/1071435258.db2.gz CVDFLUPQRDRXQO-INIZCTEOSA-N 1 2 428.603 0.812 20 0 ICADLO CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001546477617 1071435249 /nfs/dbraw/zinc/43/52/49/1071435249.db2.gz CVDFLUPQRDRXQO-INIZCTEOSA-N 1 2 428.603 0.812 20 0 ICADLO CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001546477618 1071435144 /nfs/dbraw/zinc/43/51/44/1071435144.db2.gz CVDFLUPQRDRXQO-MRXNPFEDSA-N 1 2 428.603 0.812 20 0 ICADLO CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001546477618 1071435139 /nfs/dbraw/zinc/43/51/39/1071435139.db2.gz CVDFLUPQRDRXQO-MRXNPFEDSA-N 1 2 428.603 0.812 20 0 ICADLO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001546482574 1071462938 /nfs/dbraw/zinc/46/29/38/1071462938.db2.gz MMNFIOARTQTISW-UHFFFAOYSA-N 1 2 449.581 0.638 20 0 ICADLO CCc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001546504444 1071572307 /nfs/dbraw/zinc/57/23/07/1071572307.db2.gz JUZVEGGZMUUDLL-DLBZAZTESA-N 1 2 426.587 0.566 20 0 ICADLO CCc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001546504445 1071579187 /nfs/dbraw/zinc/57/91/87/1071579187.db2.gz JUZVEGGZMUUDLL-IAGOWNOFSA-N 1 2 426.587 0.566 20 0 ICADLO CCc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001546504446 1071579240 /nfs/dbraw/zinc/57/92/40/1071579240.db2.gz JUZVEGGZMUUDLL-IRXDYDNUSA-N 1 2 426.587 0.566 20 0 ICADLO CCc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001546504447 1071579174 /nfs/dbraw/zinc/57/91/74/1071579174.db2.gz JUZVEGGZMUUDLL-SJORKVTESA-N 1 2 426.587 0.566 20 0 ICADLO CCc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546521070 1072211353 /nfs/dbraw/zinc/21/13/53/1072211353.db2.gz CMUHZWQXNZOXAG-UHFFFAOYSA-N 1 2 429.525 0.560 20 0 ICADLO CCc1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546523177 1072213126 /nfs/dbraw/zinc/21/31/26/1072213126.db2.gz AOWZPVGDZOADBZ-UHFFFAOYSA-N 1 2 432.573 0.342 20 0 ICADLO CCc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001546524440 1072213023 /nfs/dbraw/zinc/21/30/23/1072213023.db2.gz DSRWGBXNQHDQMD-GHTZIAJQSA-N 1 2 441.580 0.910 20 0 ICADLO CCc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001546524441 1072213196 /nfs/dbraw/zinc/21/31/96/1072213196.db2.gz DSRWGBXNQHDQMD-NQIIRXRSSA-N 1 2 441.580 0.910 20 0 ICADLO CCc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001546524442 1072213234 /nfs/dbraw/zinc/21/32/34/1072213234.db2.gz DSRWGBXNQHDQMD-RXVVDRJESA-N 1 2 441.580 0.910 20 0 ICADLO CCc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001546524443 1072213109 /nfs/dbraw/zinc/21/31/09/1072213109.db2.gz DSRWGBXNQHDQMD-WIYYLYMNSA-N 1 2 441.580 0.910 20 0 ICADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCn1cc(CO)nn1 ZINC001546525184 1072213645 /nfs/dbraw/zinc/21/36/45/1072213645.db2.gz DKAVWTOYFKWJKG-KRWDZBQOSA-N 1 2 445.572 0.148 20 0 ICADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCn1cc(CO)nn1 ZINC001546525185 1072213724 /nfs/dbraw/zinc/21/37/24/1072213724.db2.gz DKAVWTOYFKWJKG-QGZVFWFLSA-N 1 2 445.572 0.148 20 0 ICADLO CCc1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1CCC(=O)NC(C)C ZINC001546527281 1072213736 /nfs/dbraw/zinc/21/37/36/1072213736.db2.gz AIOAFQMWADKLJC-UHFFFAOYSA-N 1 2 426.529 0.759 20 0 ICADLO CCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCS(=O)(=O)NC ZINC001546530714 1072214115 /nfs/dbraw/zinc/21/41/15/1072214115.db2.gz YRBOSLBJUKDDEU-UHFFFAOYSA-N 1 2 436.586 0.938 20 0 ICADLO CCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001546530835 1072214324 /nfs/dbraw/zinc/21/43/24/1072214324.db2.gz DHEJLVAIKDCRIQ-UHFFFAOYSA-N 1 2 446.537 0.670 20 0 ICADLO CCc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001546535100 1072215332 /nfs/dbraw/zinc/21/53/32/1072215332.db2.gz XJKRIOICZUXWMI-UHFFFAOYSA-N 1 2 442.568 0.331 20 0 ICADLO CCc1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1CCNS(C)(=O)=O ZINC001546538968 1072215920 /nfs/dbraw/zinc/21/59/20/1072215920.db2.gz PPHNGHRXCYDYPI-UHFFFAOYSA-N 1 2 440.545 0.860 20 0 ICADLO CCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCS(=O)(=O)N(C)C ZINC001546539758 1072216589 /nfs/dbraw/zinc/21/65/89/1072216589.db2.gz RWHBZHAMPPZAFM-UHFFFAOYSA-N 1 2 427.600 0.819 20 0 ICADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001546539971 1072216566 /nfs/dbraw/zinc/21/65/66/1072216566.db2.gz AWGPGGNTSXZGDL-JQVVWYNYSA-N 1 2 436.601 0.612 20 0 ICADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001546539972 1072216645 /nfs/dbraw/zinc/21/66/45/1072216645.db2.gz AWGPGGNTSXZGDL-KNKQGSTJSA-N 1 2 436.601 0.612 20 0 ICADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001546539973 1072216458 /nfs/dbraw/zinc/21/64/58/1072216458.db2.gz AWGPGGNTSXZGDL-NNMXDRDESA-N 1 2 436.601 0.612 20 0 ICADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001546539974 1072216489 /nfs/dbraw/zinc/21/64/89/1072216489.db2.gz AWGPGGNTSXZGDL-WOIUINJBSA-N 1 2 436.601 0.612 20 0 ICADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@](C)(O)CCOC ZINC001546540309 1072217184 /nfs/dbraw/zinc/21/71/84/1072217184.db2.gz KREJGRBWOLZMRJ-DENIHFKCSA-N 1 2 438.617 0.859 20 0 ICADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@](C)(O)CCOC ZINC001546540310 1072217129 /nfs/dbraw/zinc/21/71/29/1072217129.db2.gz KREJGRBWOLZMRJ-KNQAVFIVSA-N 1 2 438.617 0.859 20 0 ICADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@](C)(O)CCOC ZINC001546540311 1072217294 /nfs/dbraw/zinc/21/72/94/1072217294.db2.gz KREJGRBWOLZMRJ-SIKLNZKXSA-N 1 2 438.617 0.859 20 0 ICADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@@](C)(O)CCOC ZINC001546540312 1072217217 /nfs/dbraw/zinc/21/72/17/1072217217.db2.gz KREJGRBWOLZMRJ-UGKGYDQZSA-N 1 2 438.617 0.859 20 0 ICADLO CCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001546545672 1072219222 /nfs/dbraw/zinc/21/92/22/1072219222.db2.gz IKEUEVYBABQDGM-CABCVRRESA-N 1 2 429.529 0.292 20 0 ICADLO CCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001546545672 1072219217 /nfs/dbraw/zinc/21/92/17/1072219217.db2.gz IKEUEVYBABQDGM-CABCVRRESA-N 1 2 429.529 0.292 20 0 ICADLO CCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001546545673 1072219300 /nfs/dbraw/zinc/21/93/00/1072219300.db2.gz IKEUEVYBABQDGM-GJZGRUSLSA-N 1 2 429.529 0.292 20 0 ICADLO CCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001546545673 1072219297 /nfs/dbraw/zinc/21/92/97/1072219297.db2.gz IKEUEVYBABQDGM-GJZGRUSLSA-N 1 2 429.529 0.292 20 0 ICADLO CCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001546545674 1072219286 /nfs/dbraw/zinc/21/92/86/1072219286.db2.gz IKEUEVYBABQDGM-HUUCEWRRSA-N 1 2 429.529 0.292 20 0 ICADLO CCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001546545674 1072219283 /nfs/dbraw/zinc/21/92/83/1072219283.db2.gz IKEUEVYBABQDGM-HUUCEWRRSA-N 1 2 429.529 0.292 20 0 ICADLO CCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001546545675 1072219236 /nfs/dbraw/zinc/21/92/36/1072219236.db2.gz IKEUEVYBABQDGM-LSDHHAIUSA-N 1 2 429.529 0.292 20 0 ICADLO CCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001546545675 1072219234 /nfs/dbraw/zinc/21/92/34/1072219234.db2.gz IKEUEVYBABQDGM-LSDHHAIUSA-N 1 2 429.529 0.292 20 0 ICADLO CCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001546546254 1071714608 /nfs/dbraw/zinc/71/46/08/1071714608.db2.gz WPWRYAHMXAMSRA-MOPGFXCFSA-N 1 2 428.537 0.865 20 0 ICADLO CCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001546546255 1071714541 /nfs/dbraw/zinc/71/45/41/1071714541.db2.gz WPWRYAHMXAMSRA-OALUTQOASA-N 1 2 428.537 0.865 20 0 ICADLO CCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001546546256 1071714585 /nfs/dbraw/zinc/71/45/85/1071714585.db2.gz WPWRYAHMXAMSRA-RBUKOAKNSA-N 1 2 428.537 0.865 20 0 ICADLO CCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001546546257 1071714660 /nfs/dbraw/zinc/71/46/60/1071714660.db2.gz WPWRYAHMXAMSRA-RTBURBONSA-N 1 2 428.537 0.865 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001546572684 1072220687 /nfs/dbraw/zinc/22/06/87/1072220687.db2.gz GKQLDIMMXFQHJN-INIZCTEOSA-N 1 2 433.557 0.340 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001546572684 1072220678 /nfs/dbraw/zinc/22/06/78/1072220678.db2.gz GKQLDIMMXFQHJN-INIZCTEOSA-N 1 2 433.557 0.340 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001546572685 1072220602 /nfs/dbraw/zinc/22/06/02/1072220602.db2.gz GKQLDIMMXFQHJN-MRXNPFEDSA-N 1 2 433.557 0.340 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001546572685 1072220592 /nfs/dbraw/zinc/22/05/92/1072220592.db2.gz GKQLDIMMXFQHJN-MRXNPFEDSA-N 1 2 433.557 0.340 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c[nH+]ccc1OC ZINC001546574406 1072222077 /nfs/dbraw/zinc/22/20/77/1072222077.db2.gz MEDCUJJZFZVAAL-GXTWGEPZSA-N 1 2 437.526 0.055 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c[nH+]ccc1OC ZINC001546574408 1072222201 /nfs/dbraw/zinc/22/22/01/1072222201.db2.gz MEDCUJJZFZVAAL-JSGCOSHPSA-N 1 2 437.526 0.055 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c[nH+]ccc1OC ZINC001546574409 1072222262 /nfs/dbraw/zinc/22/22/62/1072222262.db2.gz MEDCUJJZFZVAAL-OCCSQVGLSA-N 1 2 437.526 0.055 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c[nH+]ccc1OC ZINC001546574412 1072222120 /nfs/dbraw/zinc/22/21/20/1072222120.db2.gz MEDCUJJZFZVAAL-TZMCWYRMSA-N 1 2 437.526 0.055 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1CC[N@H+]1CCOCC1(C)C ZINC001546576352 1072224086 /nfs/dbraw/zinc/22/40/86/1072224086.db2.gz ZGOCIXHBQDFCCX-DLBZAZTESA-N 1 2 438.573 0.828 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1CC[N@@H+]1CCOCC1(C)C ZINC001546576352 1072224080 /nfs/dbraw/zinc/22/40/80/1072224080.db2.gz ZGOCIXHBQDFCCX-DLBZAZTESA-N 1 2 438.573 0.828 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CC[N@H+]1CCOCC1(C)C ZINC001546576353 1072224215 /nfs/dbraw/zinc/22/42/15/1072224215.db2.gz ZGOCIXHBQDFCCX-IAGOWNOFSA-N 1 2 438.573 0.828 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CC[N@@H+]1CCOCC1(C)C ZINC001546576353 1072224206 /nfs/dbraw/zinc/22/42/06/1072224206.db2.gz ZGOCIXHBQDFCCX-IAGOWNOFSA-N 1 2 438.573 0.828 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1CC[N@H+]1CCOCC1(C)C ZINC001546576354 1072224257 /nfs/dbraw/zinc/22/42/57/1072224257.db2.gz ZGOCIXHBQDFCCX-IRXDYDNUSA-N 1 2 438.573 0.828 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1CC[N@@H+]1CCOCC1(C)C ZINC001546576354 1072224251 /nfs/dbraw/zinc/22/42/51/1072224251.db2.gz ZGOCIXHBQDFCCX-IRXDYDNUSA-N 1 2 438.573 0.828 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CC[N@H+]1CCOCC1(C)C ZINC001546576355 1072224060 /nfs/dbraw/zinc/22/40/60/1072224060.db2.gz ZGOCIXHBQDFCCX-SJORKVTESA-N 1 2 438.573 0.828 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1CC[N@@H+]1CCOCC1(C)C ZINC001546576355 1072224048 /nfs/dbraw/zinc/22/40/48/1072224048.db2.gz ZGOCIXHBQDFCCX-SJORKVTESA-N 1 2 438.573 0.828 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(CC2CCCC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546586286 1072227764 /nfs/dbraw/zinc/22/77/64/1072227764.db2.gz NNNMJYWSMNTPDP-IBGZPJMESA-N 1 2 431.585 0.890 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(CC2CCCC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546586287 1072227902 /nfs/dbraw/zinc/22/79/02/1072227902.db2.gz NNNMJYWSMNTPDP-LJQANCHMSA-N 1 2 431.585 0.890 20 0 ICADLO CC[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546666934 1072230238 /nfs/dbraw/zinc/23/02/38/1072230238.db2.gz GPKRNUDNGQSHNC-DOTOQJQBSA-N 1 2 441.602 0.431 20 0 ICADLO CC[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546666935 1072230423 /nfs/dbraw/zinc/23/04/23/1072230423.db2.gz GPKRNUDNGQSHNC-NVXWUHKLSA-N 1 2 441.602 0.431 20 0 ICADLO CC[C@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546666936 1072230821 /nfs/dbraw/zinc/23/08/21/1072230821.db2.gz GPKRNUDNGQSHNC-RDJZCZTQSA-N 1 2 441.602 0.431 20 0 ICADLO CC[C@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546666937 1072230948 /nfs/dbraw/zinc/23/09/48/1072230948.db2.gz GPKRNUDNGQSHNC-WBVHZDCISA-N 1 2 441.602 0.431 20 0 ICADLO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC)CC[N@H+]1CCOC ZINC001546739951 1072234069 /nfs/dbraw/zinc/23/40/69/1072234069.db2.gz SFSRUFMOQQGUTM-KRWDZBQOSA-N 1 2 439.586 0.660 20 0 ICADLO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC)CC[N@@H+]1CCOC ZINC001546739951 1072234065 /nfs/dbraw/zinc/23/40/65/1072234065.db2.gz SFSRUFMOQQGUTM-KRWDZBQOSA-N 1 2 439.586 0.660 20 0 ICADLO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC)CC[N@H+]1CCOC ZINC001546739952 1072233978 /nfs/dbraw/zinc/23/39/78/1072233978.db2.gz SFSRUFMOQQGUTM-QGZVFWFLSA-N 1 2 439.586 0.660 20 0 ICADLO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC)CC[N@@H+]1CCOC ZINC001546739952 1072233969 /nfs/dbraw/zinc/23/39/69/1072233969.db2.gz SFSRUFMOQQGUTM-QGZVFWFLSA-N 1 2 439.586 0.660 20 0 ICADLO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CCS1 ZINC001546744353 1072235550 /nfs/dbraw/zinc/23/55/50/1072235550.db2.gz PNPMYWCGKSVSTO-DLBZAZTESA-N 1 2 435.598 0.725 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CCS1 ZINC001546744354 1072235559 /nfs/dbraw/zinc/23/55/59/1072235559.db2.gz PNPMYWCGKSVSTO-IAGOWNOFSA-N 1 2 435.598 0.725 20 0 ICADLO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CCS1 ZINC001546744355 1072235405 /nfs/dbraw/zinc/23/54/05/1072235405.db2.gz PNPMYWCGKSVSTO-IRXDYDNUSA-N 1 2 435.598 0.725 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CCS1 ZINC001546744356 1072235358 /nfs/dbraw/zinc/23/53/58/1072235358.db2.gz PNPMYWCGKSVSTO-SJORKVTESA-N 1 2 435.598 0.725 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)CC)CC[N@H+]1CCOC ZINC001546751157 1072236368 /nfs/dbraw/zinc/23/63/68/1072236368.db2.gz LRMCRQOCAVBWFE-DLBZAZTESA-N 1 2 429.587 0.764 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)CC)CC[N@@H+]1CCOC ZINC001546751157 1072236364 /nfs/dbraw/zinc/23/63/64/1072236364.db2.gz LRMCRQOCAVBWFE-DLBZAZTESA-N 1 2 429.587 0.764 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC)CC[N@H+]1CCOC ZINC001546751158 1072236539 /nfs/dbraw/zinc/23/65/39/1072236539.db2.gz LRMCRQOCAVBWFE-IAGOWNOFSA-N 1 2 429.587 0.764 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC)CC[N@@H+]1CCOC ZINC001546751158 1072236536 /nfs/dbraw/zinc/23/65/36/1072236536.db2.gz LRMCRQOCAVBWFE-IAGOWNOFSA-N 1 2 429.587 0.764 20 0 ICADLO CC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)CC)CC[N@H+]1CCOC ZINC001546751159 1072236434 /nfs/dbraw/zinc/23/64/34/1072236434.db2.gz LRMCRQOCAVBWFE-IRXDYDNUSA-N 1 2 429.587 0.764 20 0 ICADLO CC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)CC)CC[N@@H+]1CCOC ZINC001546751159 1072236427 /nfs/dbraw/zinc/23/64/27/1072236427.db2.gz LRMCRQOCAVBWFE-IRXDYDNUSA-N 1 2 429.587 0.764 20 0 ICADLO CC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC)CC[N@H+]1CCOC ZINC001546751160 1072236522 /nfs/dbraw/zinc/23/65/22/1072236522.db2.gz LRMCRQOCAVBWFE-SJORKVTESA-N 1 2 429.587 0.764 20 0 ICADLO CC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC)CC[N@@H+]1CCOC ZINC001546751160 1072236517 /nfs/dbraw/zinc/23/65/17/1072236517.db2.gz LRMCRQOCAVBWFE-SJORKVTESA-N 1 2 429.587 0.764 20 0 ICADLO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001546758904 1072238082 /nfs/dbraw/zinc/23/80/82/1072238082.db2.gz AGHVXLAIDCNZRY-GOSISDBHSA-N 1 2 436.582 0.856 20 0 ICADLO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001546758904 1072238073 /nfs/dbraw/zinc/23/80/73/1072238073.db2.gz AGHVXLAIDCNZRY-GOSISDBHSA-N 1 2 436.582 0.856 20 0 ICADLO CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001546758906 1072237941 /nfs/dbraw/zinc/23/79/41/1072237941.db2.gz AGHVXLAIDCNZRY-SFHVURJKSA-N 1 2 436.582 0.856 20 0 ICADLO CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001546758906 1072237938 /nfs/dbraw/zinc/23/79/38/1072237938.db2.gz AGHVXLAIDCNZRY-SFHVURJKSA-N 1 2 436.582 0.856 20 0 ICADLO CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001546943744 1072248046 /nfs/dbraw/zinc/24/80/46/1072248046.db2.gz FDHNXCYTUAURCR-FXAWDEMLSA-N 1 2 443.614 0.888 20 0 ICADLO CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001546943744 1072248040 /nfs/dbraw/zinc/24/80/40/1072248040.db2.gz FDHNXCYTUAURCR-FXAWDEMLSA-N 1 2 443.614 0.888 20 0 ICADLO CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001546943745 1072248218 /nfs/dbraw/zinc/24/82/18/1072248218.db2.gz FDHNXCYTUAURCR-PXNSSMCTSA-N 1 2 443.614 0.888 20 0 ICADLO CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001546943745 1072248214 /nfs/dbraw/zinc/24/82/14/1072248214.db2.gz FDHNXCYTUAURCR-PXNSSMCTSA-N 1 2 443.614 0.888 20 0 ICADLO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001546943746 1072248174 /nfs/dbraw/zinc/24/81/74/1072248174.db2.gz FDHNXCYTUAURCR-XLIONFOSSA-N 1 2 443.614 0.888 20 0 ICADLO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001546943746 1072248168 /nfs/dbraw/zinc/24/81/68/1072248168.db2.gz FDHNXCYTUAURCR-XLIONFOSSA-N 1 2 443.614 0.888 20 0 ICADLO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001546943747 1072247965 /nfs/dbraw/zinc/24/79/65/1072247965.db2.gz FDHNXCYTUAURCR-YLJYHZDGSA-N 1 2 443.614 0.888 20 0 ICADLO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001546943747 1072247960 /nfs/dbraw/zinc/24/79/60/1072247960.db2.gz FDHNXCYTUAURCR-YLJYHZDGSA-N 1 2 443.614 0.888 20 0 ICADLO CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001547158345 1072256865 /nfs/dbraw/zinc/25/68/65/1072256865.db2.gz PJJODVQXOVGXFI-INIZCTEOSA-N 1 2 435.554 0.743 20 0 ICADLO CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001547158346 1072256892 /nfs/dbraw/zinc/25/68/92/1072256892.db2.gz PJJODVQXOVGXFI-MRXNPFEDSA-N 1 2 435.554 0.743 20 0 ICADLO CCCN1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001547204445 1072260386 /nfs/dbraw/zinc/26/03/86/1072260386.db2.gz HZYNPOWKHVYFKH-GOSISDBHSA-N 1 2 447.584 0.570 20 0 ICADLO CCCN1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001547204552 1072260441 /nfs/dbraw/zinc/26/04/41/1072260441.db2.gz HZYNPOWKHVYFKH-SFHVURJKSA-N 1 2 447.584 0.570 20 0 ICADLO CCCN1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001547204879 1072260296 /nfs/dbraw/zinc/26/02/96/1072260296.db2.gz MFTAAVRYEHVCRR-GOSISDBHSA-N 1 2 447.584 0.570 20 0 ICADLO CCCN1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001547204879 1072260287 /nfs/dbraw/zinc/26/02/87/1072260287.db2.gz MFTAAVRYEHVCRR-GOSISDBHSA-N 1 2 447.584 0.570 20 0 ICADLO CCCN1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001547204880 1072260948 /nfs/dbraw/zinc/26/09/48/1072260948.db2.gz MFTAAVRYEHVCRR-SFHVURJKSA-N 1 2 447.584 0.570 20 0 ICADLO CCCN1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001547204880 1072260941 /nfs/dbraw/zinc/26/09/41/1072260941.db2.gz MFTAAVRYEHVCRR-SFHVURJKSA-N 1 2 447.584 0.570 20 0 ICADLO CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001547240760 1072264796 /nfs/dbraw/zinc/26/47/96/1072264796.db2.gz QGHVCRHHDIPVGV-INIZCTEOSA-N 1 2 442.568 0.979 20 0 ICADLO CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001547240761 1072264904 /nfs/dbraw/zinc/26/49/04/1072264904.db2.gz QGHVCRHHDIPVGV-MRXNPFEDSA-N 1 2 442.568 0.979 20 0 ICADLO CCCNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001547243571 1072266254 /nfs/dbraw/zinc/26/62/54/1072266254.db2.gz YYUPJUQXGCZJIX-KRWDZBQOSA-N 1 2 440.614 0.875 20 0 ICADLO CCCNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001547243573 1072266089 /nfs/dbraw/zinc/26/60/89/1072266089.db2.gz YYUPJUQXGCZJIX-QGZVFWFLSA-N 1 2 440.614 0.875 20 0 ICADLO CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001547252575 1072267984 /nfs/dbraw/zinc/26/79/84/1072267984.db2.gz BENVRZLRLYAPRV-INIZCTEOSA-N 1 2 440.552 0.655 20 0 ICADLO CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001547252577 1072268116 /nfs/dbraw/zinc/26/81/16/1072268116.db2.gz BENVRZLRLYAPRV-MRXNPFEDSA-N 1 2 440.552 0.655 20 0 ICADLO CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001547252723 1072268505 /nfs/dbraw/zinc/26/85/05/1072268505.db2.gz DUUDVNTVXPKJQT-UHFFFAOYSA-N 1 2 442.568 0.857 20 0 ICADLO CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001547253077 1072268406 /nfs/dbraw/zinc/26/84/06/1072268406.db2.gz NBIMDSHAXPAAQO-UHFFFAOYSA-N 1 2 425.497 0.880 20 0 ICADLO CCCS(=O)(=O)NC1CCN(c2nnc(C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001547297428 1072275281 /nfs/dbraw/zinc/27/52/81/1072275281.db2.gz RCKXFTNWIPFYJQ-UHFFFAOYSA-N 1 2 441.602 0.049 20 0 ICADLO CCCS(=O)(=O)NC1CCN(c2nnc(C)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001547298118 1072275337 /nfs/dbraw/zinc/27/53/37/1072275337.db2.gz ZDQDBHIMJYNUDZ-UHFFFAOYSA-N 1 2 426.587 0.750 20 0 ICADLO CCN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001547309905 1072276485 /nfs/dbraw/zinc/27/64/85/1072276485.db2.gz NWCNLQIVAYYNCL-UHFFFAOYSA-N 1 2 430.513 0.172 20 0 ICADLO CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001547315678 1072278292 /nfs/dbraw/zinc/27/82/92/1072278292.db2.gz UCMSYNCGGXGGBS-INIZCTEOSA-N 1 2 442.568 0.551 20 0 ICADLO CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001547315679 1072278400 /nfs/dbraw/zinc/27/84/00/1072278400.db2.gz UCMSYNCGGXGGBS-MRXNPFEDSA-N 1 2 442.568 0.551 20 0 ICADLO CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001547317344 1072279711 /nfs/dbraw/zinc/27/97/11/1072279711.db2.gz YGFUDFRHFVQWLE-INIZCTEOSA-N 1 2 426.525 0.731 20 0 ICADLO CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001547317351 1072279858 /nfs/dbraw/zinc/27/98/58/1072279858.db2.gz YGFUDFRHFVQWLE-MRXNPFEDSA-N 1 2 426.525 0.731 20 0 ICADLO CCN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001547320544 1072281905 /nfs/dbraw/zinc/28/19/05/1072281905.db2.gz IVYWUYGTBWCLHG-UHFFFAOYSA-N 1 2 449.581 0.516 20 0 ICADLO CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001547323912 1072283287 /nfs/dbraw/zinc/28/32/87/1072283287.db2.gz LCPXNZZJTKQDGD-KBPBESRZSA-N 1 2 437.574 0.845 20 0 ICADLO CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001547323912 1072283284 /nfs/dbraw/zinc/28/32/84/1072283284.db2.gz LCPXNZZJTKQDGD-KBPBESRZSA-N 1 2 437.574 0.845 20 0 ICADLO CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001547323913 1072283233 /nfs/dbraw/zinc/28/32/33/1072283233.db2.gz LCPXNZZJTKQDGD-KGLIPLIRSA-N 1 2 437.574 0.845 20 0 ICADLO CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001547323913 1072283225 /nfs/dbraw/zinc/28/32/25/1072283225.db2.gz LCPXNZZJTKQDGD-KGLIPLIRSA-N 1 2 437.574 0.845 20 0 ICADLO CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001547323914 1072283206 /nfs/dbraw/zinc/28/32/06/1072283206.db2.gz LCPXNZZJTKQDGD-UONOGXRCSA-N 1 2 437.574 0.845 20 0 ICADLO CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001547323914 1072283198 /nfs/dbraw/zinc/28/31/98/1072283198.db2.gz LCPXNZZJTKQDGD-UONOGXRCSA-N 1 2 437.574 0.845 20 0 ICADLO CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001547323915 1072283299 /nfs/dbraw/zinc/28/32/99/1072283299.db2.gz LCPXNZZJTKQDGD-ZIAGYGMSSA-N 1 2 437.574 0.845 20 0 ICADLO CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001547323915 1072283297 /nfs/dbraw/zinc/28/32/97/1072283297.db2.gz LCPXNZZJTKQDGD-ZIAGYGMSSA-N 1 2 437.574 0.845 20 0 ICADLO CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn2ccccc2[nH+]1 ZINC001547332142 1072284077 /nfs/dbraw/zinc/28/40/77/1072284077.db2.gz LQMVXFLWAFMUKM-INIZCTEOSA-N 1 2 433.538 0.958 20 0 ICADLO CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn2ccccc2[nH+]1 ZINC001547332143 1072284238 /nfs/dbraw/zinc/28/42/38/1072284238.db2.gz LQMVXFLWAFMUKM-MRXNPFEDSA-N 1 2 433.538 0.958 20 0 ICADLO CCN(c1nnc(CN2CCCC2=O)n1Cc1c[nH+]ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC001547382592 1072289437 /nfs/dbraw/zinc/28/94/37/1072289437.db2.gz RBNBRMSOSKQBLD-INIZCTEOSA-N 1 2 448.549 0.866 20 0 ICADLO CCN(c1nnc(CN2CCCC2=O)n1Cc1c[nH+]ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC001547382593 1072289280 /nfs/dbraw/zinc/28/92/80/1072289280.db2.gz RBNBRMSOSKQBLD-MRXNPFEDSA-N 1 2 448.549 0.866 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2COCCO2)CC1 ZINC001547414401 1072291832 /nfs/dbraw/zinc/29/18/32/1072291832.db2.gz CPVPTLLJBWGITM-GOSISDBHSA-N 1 2 443.552 0.746 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NC)CC1 ZINC001547414573 1072292474 /nfs/dbraw/zinc/29/24/74/1072292474.db2.gz GZHXEDZLSSPLSO-UHFFFAOYSA-N 1 2 428.541 0.467 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(C)=O)CC1 ZINC001547416078 1072293062 /nfs/dbraw/zinc/29/30/62/1072293062.db2.gz GFWVXPFCCSXBQN-UHFFFAOYSA-N 1 2 445.572 0.195 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2Cc2ccn(C)n2)CC1 ZINC001547416287 1072293188 /nfs/dbraw/zinc/29/31/88/1072293188.db2.gz NCXGQSAHBSRDJH-UHFFFAOYSA-N 1 2 438.540 0.507 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N(C)C)CC1 ZINC001547416338 1072293211 /nfs/dbraw/zinc/29/32/11/1072293211.db2.gz OQQYTKQOIFXNGH-UHFFFAOYSA-N 1 2 443.556 0.204 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2nncn2CC)CC1 ZINC001547416357 1072293124 /nfs/dbraw/zinc/29/31/24/1072293124.db2.gz PDFJGRNZHMKNFV-UHFFFAOYSA-N 1 2 440.556 0.923 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC2(O)CCC2)CC1 ZINC001547416424 1072293165 /nfs/dbraw/zinc/29/31/65/1072293165.db2.gz QXPWCYDCPZJXAL-UHFFFAOYSA-N 1 2 444.584 0.974 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCCn2cnnn2)CC1 ZINC001547416476 1072293226 /nfs/dbraw/zinc/29/32/26/1072293226.db2.gz SUFTXZQAWLHBDG-UHFFFAOYSA-N 1 2 441.544 0.340 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CCC(=O)NC)CC1 ZINC001547416556 1072293022 /nfs/dbraw/zinc/29/30/22/1072293022.db2.gz XHQACPHYOTYTKK-UHFFFAOYSA-N 1 2 430.557 0.410 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2COCCO2)CC1 ZINC001547416558 1072293010 /nfs/dbraw/zinc/29/30/10/1072293010.db2.gz XMJJZCWKSCKZDF-GOSISDBHSA-N 1 2 445.568 0.689 20 0 ICADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001547443917 1072296372 /nfs/dbraw/zinc/29/63/72/1072296372.db2.gz HMDZBRLYIDNNTJ-CVEARBPZSA-N 1 2 426.525 0.830 20 0 ICADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)c[nH+]1 ZINC001547443918 1072296472 /nfs/dbraw/zinc/29/64/72/1072296472.db2.gz HMDZBRLYIDNNTJ-HOTGVXAUSA-N 1 2 426.525 0.830 20 0 ICADLO CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001547443919 1072296350 /nfs/dbraw/zinc/29/63/50/1072296350.db2.gz HMDZBRLYIDNNTJ-HZPDHXFCSA-N 1 2 426.525 0.830 20 0 ICADLO CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)c[nH+]1 ZINC001547443920 1072296447 /nfs/dbraw/zinc/29/64/47/1072296447.db2.gz HMDZBRLYIDNNTJ-JKSUJKDBSA-N 1 2 426.525 0.830 20 0 ICADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)C2)c[nH+]1 ZINC001547444116 1072296504 /nfs/dbraw/zinc/29/65/04/1072296504.db2.gz JJZSDHAWPAKYAT-UHFFFAOYSA-N 1 2 428.541 0.984 20 0 ICADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCS(=O)(=O)CC2)c[nH+]1 ZINC001547447137 1072296518 /nfs/dbraw/zinc/29/65/18/1072296518.db2.gz PIULEWGYRJFVCS-INIZCTEOSA-N 1 2 447.565 0.754 20 0 ICADLO CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCS(=O)(=O)CC2)c[nH+]1 ZINC001547447138 1072296325 /nfs/dbraw/zinc/29/63/25/1072296325.db2.gz PIULEWGYRJFVCS-MRXNPFEDSA-N 1 2 447.565 0.754 20 0 ICADLO CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C)C(=O)C2)c[nH+]1 ZINC001547448559 1072296770 /nfs/dbraw/zinc/29/67/70/1072296770.db2.gz NZLFHRWODCDJOG-UHFFFAOYSA-N 1 2 440.552 0.968 20 0 ICADLO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001547500166 1072301558 /nfs/dbraw/zinc/30/15/58/1072301558.db2.gz UBEOZJCTGRYYRT-BZUAXINKSA-N 1 2 449.643 0.780 20 0 ICADLO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001547500168 1072301626 /nfs/dbraw/zinc/30/16/26/1072301626.db2.gz UBEOZJCTGRYYRT-OAGGEKHMSA-N 1 2 449.643 0.780 20 0 ICADLO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001547500170 1072301732 /nfs/dbraw/zinc/30/17/32/1072301732.db2.gz UBEOZJCTGRYYRT-OWCLPIDISA-N 1 2 449.643 0.780 20 0 ICADLO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001547500172 1072301583 /nfs/dbraw/zinc/30/15/83/1072301583.db2.gz UBEOZJCTGRYYRT-PMPSAXMXSA-N 1 2 449.643 0.780 20 0 ICADLO CCN(Cc1cnn(C)c1)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC[C@@H]1C ZINC001547529634 1072302701 /nfs/dbraw/zinc/30/27/01/1072302701.db2.gz ZBHJKAKVWGUVJG-KRWDZBQOSA-N 1 2 430.557 0.881 20 0 ICADLO CCN(Cc1cnn(C)c1)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001547529634 1072302696 /nfs/dbraw/zinc/30/26/96/1072302696.db2.gz ZBHJKAKVWGUVJG-KRWDZBQOSA-N 1 2 430.557 0.881 20 0 ICADLO CCN(Cc1cnn(C)c1)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC[C@H]1C ZINC001547529637 1072302657 /nfs/dbraw/zinc/30/26/57/1072302657.db2.gz ZBHJKAKVWGUVJG-QGZVFWFLSA-N 1 2 430.557 0.881 20 0 ICADLO CCN(Cc1cnn(C)c1)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC[C@H]1C ZINC001547529637 1072302654 /nfs/dbraw/zinc/30/26/54/1072302654.db2.gz ZBHJKAKVWGUVJG-QGZVFWFLSA-N 1 2 430.557 0.881 20 0 ICADLO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O)C(C)C ZINC001547590690 1072307975 /nfs/dbraw/zinc/30/79/75/1072307975.db2.gz RRXFDSKCTWMALE-HNNXBMFYSA-N 1 2 435.616 0.391 20 0 ICADLO CC[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O)C(C)C ZINC001547590690 1072307969 /nfs/dbraw/zinc/30/79/69/1072307969.db2.gz RRXFDSKCTWMALE-HNNXBMFYSA-N 1 2 435.616 0.391 20 0 ICADLO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O)C(C)C ZINC001547590691 1072308086 /nfs/dbraw/zinc/30/80/86/1072308086.db2.gz RRXFDSKCTWMALE-OAHLLOKOSA-N 1 2 435.616 0.391 20 0 ICADLO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O)C(C)C ZINC001547590691 1072308080 /nfs/dbraw/zinc/30/80/80/1072308080.db2.gz RRXFDSKCTWMALE-OAHLLOKOSA-N 1 2 435.616 0.391 20 0 ICADLO CCN(CCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001547598600 1072308560 /nfs/dbraw/zinc/30/85/60/1072308560.db2.gz PTTNXXWXEFZSST-UHFFFAOYSA-N 1 2 449.581 0.894 20 0 ICADLO CCN1C(=O)[C@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCOC[C@@H]3C)CCN2C1=O ZINC001547605422 1072311722 /nfs/dbraw/zinc/31/17/22/1072311722.db2.gz AYBUHJSCHUXNDY-DLBZAZTESA-N 1 2 433.557 0.670 20 0 ICADLO CCN1C(=O)[C@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOC[C@@H]3C)CCN2C1=O ZINC001547605422 1072311712 /nfs/dbraw/zinc/31/17/12/1072311712.db2.gz AYBUHJSCHUXNDY-DLBZAZTESA-N 1 2 433.557 0.670 20 0 ICADLO CCN1C(=O)[C@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCOC[C@H]3C)CCN2C1=O ZINC001547605424 1072311902 /nfs/dbraw/zinc/31/19/02/1072311902.db2.gz AYBUHJSCHUXNDY-IAGOWNOFSA-N 1 2 433.557 0.670 20 0 ICADLO CCN1C(=O)[C@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOC[C@H]3C)CCN2C1=O ZINC001547605424 1072311895 /nfs/dbraw/zinc/31/18/95/1072311895.db2.gz AYBUHJSCHUXNDY-IAGOWNOFSA-N 1 2 433.557 0.670 20 0 ICADLO CCN1C(=O)[C@@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCOC[C@@H]3C)CCN2C1=O ZINC001547605426 1072311679 /nfs/dbraw/zinc/31/16/79/1072311679.db2.gz AYBUHJSCHUXNDY-IRXDYDNUSA-N 1 2 433.557 0.670 20 0 ICADLO CCN1C(=O)[C@@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOC[C@@H]3C)CCN2C1=O ZINC001547605426 1072311668 /nfs/dbraw/zinc/31/16/68/1072311668.db2.gz AYBUHJSCHUXNDY-IRXDYDNUSA-N 1 2 433.557 0.670 20 0 ICADLO CCN1C(=O)[C@@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCOC[C@H]3C)CCN2C1=O ZINC001547605427 1072311807 /nfs/dbraw/zinc/31/18/07/1072311807.db2.gz AYBUHJSCHUXNDY-SJORKVTESA-N 1 2 433.557 0.670 20 0 ICADLO CCN1C(=O)[C@@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOC[C@H]3C)CCN2C1=O ZINC001547605427 1072311800 /nfs/dbraw/zinc/31/18/00/1072311800.db2.gz AYBUHJSCHUXNDY-SJORKVTESA-N 1 2 433.557 0.670 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C[C@H]1C ZINC001547645410 1072320009 /nfs/dbraw/zinc/32/00/09/1072320009.db2.gz HMZYQKLDMQHRRL-LTIDMASMSA-N 1 2 427.571 0.515 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C[C@H]1C ZINC001547645410 1072320001 /nfs/dbraw/zinc/32/00/01/1072320001.db2.gz HMZYQKLDMQHRRL-LTIDMASMSA-N 1 2 427.571 0.515 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C[C@@H]1C ZINC001547645411 1072319911 /nfs/dbraw/zinc/31/99/11/1072319911.db2.gz HMZYQKLDMQHRRL-LUKYLMHMSA-N 1 2 427.571 0.515 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C[C@@H]1C ZINC001547645411 1072319906 /nfs/dbraw/zinc/31/99/06/1072319906.db2.gz HMZYQKLDMQHRRL-LUKYLMHMSA-N 1 2 427.571 0.515 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(C)=O)C[C@H]1C ZINC001547647064 1072321040 /nfs/dbraw/zinc/32/10/40/1072321040.db2.gz QJGAVZIJBPQRID-HLLBOEOZSA-N 1 2 426.587 0.625 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(C)=O)C[C@H]1C ZINC001547647064 1072321033 /nfs/dbraw/zinc/32/10/33/1072321033.db2.gz QJGAVZIJBPQRID-HLLBOEOZSA-N 1 2 426.587 0.625 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(C)=O)C[C@H]1C ZINC001547647066 1072320627 /nfs/dbraw/zinc/32/06/27/1072320627.db2.gz QJGAVZIJBPQRID-VYDXJSESSA-N 1 2 426.587 0.625 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(C)=O)C[C@H]1C ZINC001547647066 1072320622 /nfs/dbraw/zinc/32/06/22/1072320622.db2.gz QJGAVZIJBPQRID-VYDXJSESSA-N 1 2 426.587 0.625 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(C)=O)C[C@@H]1C ZINC001547647067 1072320833 /nfs/dbraw/zinc/32/08/33/1072320833.db2.gz QJGAVZIJBPQRID-YQQAZPJKSA-N 1 2 426.587 0.625 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(C)=O)C[C@@H]1C ZINC001547647067 1072320824 /nfs/dbraw/zinc/32/08/24/1072320824.db2.gz QJGAVZIJBPQRID-YQQAZPJKSA-N 1 2 426.587 0.625 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(C)=O)C[C@@H]1C ZINC001547647069 1072321118 /nfs/dbraw/zinc/32/11/18/1072321118.db2.gz QJGAVZIJBPQRID-ZOBUZTSGSA-N 1 2 426.587 0.625 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(C)=O)C[C@@H]1C ZINC001547647069 1072321108 /nfs/dbraw/zinc/32/11/08/1072321108.db2.gz QJGAVZIJBPQRID-ZOBUZTSGSA-N 1 2 426.587 0.625 20 0 ICADLO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001547709226 1072333984 /nfs/dbraw/zinc/33/39/84/1072333984.db2.gz VHCVOQCEXZZUQK-HNNXBMFYSA-N 1 2 435.554 0.891 20 0 ICADLO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001547709226 1072333977 /nfs/dbraw/zinc/33/39/77/1072333977.db2.gz VHCVOQCEXZZUQK-HNNXBMFYSA-N 1 2 435.554 0.891 20 0 ICADLO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001547709227 1072334440 /nfs/dbraw/zinc/33/44/40/1072334440.db2.gz VHCVOQCEXZZUQK-OAHLLOKOSA-N 1 2 435.554 0.891 20 0 ICADLO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001547709227 1072334431 /nfs/dbraw/zinc/33/44/31/1072334431.db2.gz VHCVOQCEXZZUQK-OAHLLOKOSA-N 1 2 435.554 0.891 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C[C@H]1C ZINC001547709280 1072334004 /nfs/dbraw/zinc/33/40/04/1072334004.db2.gz VFLKLCSPIKSXPP-APWZRJJASA-N 1 2 429.587 0.894 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C[C@H]1C ZINC001547709280 1072333996 /nfs/dbraw/zinc/33/39/96/1072333996.db2.gz VFLKLCSPIKSXPP-APWZRJJASA-N 1 2 429.587 0.894 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C[C@@H]1C ZINC001547709285 1072334532 /nfs/dbraw/zinc/33/45/32/1072334532.db2.gz VFLKLCSPIKSXPP-LPHOPBHVSA-N 1 2 429.587 0.894 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C[C@@H]1C ZINC001547709285 1072334525 /nfs/dbraw/zinc/33/45/25/1072334525.db2.gz VFLKLCSPIKSXPP-LPHOPBHVSA-N 1 2 429.587 0.894 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C[C@@H]1C ZINC001547709287 1072333949 /nfs/dbraw/zinc/33/39/49/1072333949.db2.gz VFLKLCSPIKSXPP-QFBILLFUSA-N 1 2 429.587 0.894 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C[C@@H]1C ZINC001547709287 1072333942 /nfs/dbraw/zinc/33/39/42/1072333942.db2.gz VFLKLCSPIKSXPP-QFBILLFUSA-N 1 2 429.587 0.894 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C[C@H]1C ZINC001547709289 1072334205 /nfs/dbraw/zinc/33/42/05/1072334205.db2.gz VFLKLCSPIKSXPP-VQIMIIECSA-N 1 2 429.587 0.894 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C[C@H]1C ZINC001547709289 1072334194 /nfs/dbraw/zinc/33/41/94/1072334194.db2.gz VFLKLCSPIKSXPP-VQIMIIECSA-N 1 2 429.587 0.894 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001547715308 1072335383 /nfs/dbraw/zinc/33/53/83/1072335383.db2.gz IBCQQFOTIGQNRS-FCEWJHQRSA-N 1 2 427.571 0.252 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001547715308 1072335370 /nfs/dbraw/zinc/33/53/70/1072335370.db2.gz IBCQQFOTIGQNRS-FCEWJHQRSA-N 1 2 427.571 0.252 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001547715309 1072335076 /nfs/dbraw/zinc/33/50/76/1072335076.db2.gz IBCQQFOTIGQNRS-FRQCXROJSA-N 1 2 427.571 0.252 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001547715309 1072335066 /nfs/dbraw/zinc/33/50/66/1072335066.db2.gz IBCQQFOTIGQNRS-FRQCXROJSA-N 1 2 427.571 0.252 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001547715310 1072335105 /nfs/dbraw/zinc/33/51/05/1072335105.db2.gz IBCQQFOTIGQNRS-GPMSIDNRSA-N 1 2 427.571 0.252 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001547715310 1072335096 /nfs/dbraw/zinc/33/50/96/1072335096.db2.gz IBCQQFOTIGQNRS-GPMSIDNRSA-N 1 2 427.571 0.252 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001547715311 1072335318 /nfs/dbraw/zinc/33/53/18/1072335318.db2.gz IBCQQFOTIGQNRS-MDZRGWNJSA-N 1 2 427.571 0.252 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001547715311 1072335308 /nfs/dbraw/zinc/33/53/08/1072335308.db2.gz IBCQQFOTIGQNRS-MDZRGWNJSA-N 1 2 427.571 0.252 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)C[C@@H]1C ZINC001547717680 1072335860 /nfs/dbraw/zinc/33/58/60/1072335860.db2.gz ICMYSFAVPVCYKV-FCEWJHQRSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)C[C@@H]1C ZINC001547717680 1072335851 /nfs/dbraw/zinc/33/58/51/1072335851.db2.gz ICMYSFAVPVCYKV-FCEWJHQRSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)C[C@@H]1C ZINC001547717683 1072335709 /nfs/dbraw/zinc/33/57/09/1072335709.db2.gz ICMYSFAVPVCYKV-FRQCXROJSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)C[C@@H]1C ZINC001547717683 1072335706 /nfs/dbraw/zinc/33/57/06/1072335706.db2.gz ICMYSFAVPVCYKV-FRQCXROJSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)C[C@H]1C ZINC001547717685 1072336002 /nfs/dbraw/zinc/33/60/02/1072336002.db2.gz ICMYSFAVPVCYKV-GPMSIDNRSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)C[C@H]1C ZINC001547717685 1072335996 /nfs/dbraw/zinc/33/59/96/1072335996.db2.gz ICMYSFAVPVCYKV-GPMSIDNRSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)C[C@H]1C ZINC001547717699 1072335803 /nfs/dbraw/zinc/33/58/03/1072335803.db2.gz ICMYSFAVPVCYKV-MDZRGWNJSA-N 1 2 427.571 0.516 20 0 ICADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)C[C@H]1C ZINC001547717699 1072335795 /nfs/dbraw/zinc/33/57/95/1072335795.db2.gz ICMYSFAVPVCYKV-MDZRGWNJSA-N 1 2 427.571 0.516 20 0 ICADLO CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001547721762 1072336908 /nfs/dbraw/zinc/33/69/08/1072336908.db2.gz BEZFMCRJYIAFOY-GOSISDBHSA-N 1 2 446.600 0.209 20 0 ICADLO CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001547721763 1072336511 /nfs/dbraw/zinc/33/65/11/1072336511.db2.gz BEZFMCRJYIAFOY-SFHVURJKSA-N 1 2 446.600 0.209 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(C)CN(C)C3=O)C2)CC1 ZINC001547722046 1072336768 /nfs/dbraw/zinc/33/67/68/1072336768.db2.gz IQNBDRGZJPCLHV-HTAPYJJXSA-N 1 2 446.600 0.111 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(C)CN(C)C3=O)C2)CC1 ZINC001547722047 1072336476 /nfs/dbraw/zinc/33/64/76/1072336476.db2.gz IQNBDRGZJPCLHV-JTSKRJEESA-N 1 2 446.600 0.111 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(C)CN(C)C3=O)C2)CC1 ZINC001547722048 1072336795 /nfs/dbraw/zinc/33/67/95/1072336795.db2.gz IQNBDRGZJPCLHV-VGOFRKELSA-N 1 2 446.600 0.111 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(C)CN(C)C3=O)C2)CC1 ZINC001547722049 1072336641 /nfs/dbraw/zinc/33/66/41/1072336641.db2.gz IQNBDRGZJPCLHV-VGSWGCGISA-N 1 2 446.600 0.111 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CCCC3)C2)CC1 ZINC001547722204 1072336880 /nfs/dbraw/zinc/33/68/80/1072336880.db2.gz LYJWWZRUXQTJJH-GOSISDBHSA-N 1 2 433.601 0.938 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CCCC3)C2)CC1 ZINC001547722205 1072336539 /nfs/dbraw/zinc/33/65/39/1072336539.db2.gz LYJWWZRUXQTJJH-SFHVURJKSA-N 1 2 433.601 0.938 20 0 ICADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC(=O)NC(C)C)C2)CC1 ZINC001547722759 1072336669 /nfs/dbraw/zinc/33/66/69/1072336669.db2.gz XSDKKKNCVAKCDW-GOSISDBHSA-N 1 2 448.616 0.547 20 0 ICADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC(=O)NC(C)C)C2)CC1 ZINC001547722761 1072336716 /nfs/dbraw/zinc/33/67/16/1072336716.db2.gz XSDKKKNCVAKCDW-SFHVURJKSA-N 1 2 448.616 0.547 20 0 ICADLO CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)CC[NH+]1CCOCC1 ZINC001547750703 1072345397 /nfs/dbraw/zinc/34/53/97/1072345397.db2.gz ODPYPWLLPONTKL-UHFFFAOYSA-N 1 2 435.573 0.331 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(-c3cccn3C)n2Cc2c[nH+]ccc2OC)CC1 ZINC001547764811 1072349514 /nfs/dbraw/zinc/34/95/14/1072349514.db2.gz FVDPJJWWLYTYCO-UHFFFAOYSA-N 1 2 438.536 0.994 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001547765082 1072349573 /nfs/dbraw/zinc/34/95/73/1072349573.db2.gz TUEOIFNXKUMWNX-KRWDZBQOSA-N 1 2 445.568 0.825 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001547765083 1072349614 /nfs/dbraw/zinc/34/96/14/1072349614.db2.gz TUEOIFNXKUMWNX-QGZVFWFLSA-N 1 2 445.568 0.825 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(-c3cnccn3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001547766688 1072351519 /nfs/dbraw/zinc/35/15/19/1072351519.db2.gz QVVXBUMTAPVUJP-UHFFFAOYSA-N 1 2 437.508 0.445 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001547767926 1072352370 /nfs/dbraw/zinc/35/23/70/1072352370.db2.gz UEUMLSFYTPAGKX-KRWDZBQOSA-N 1 2 443.552 0.882 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001547767928 1072352425 /nfs/dbraw/zinc/35/24/25/1072352425.db2.gz UEUMLSFYTPAGKX-QGZVFWFLSA-N 1 2 443.552 0.882 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001547768801 1072353462 /nfs/dbraw/zinc/35/34/62/1072353462.db2.gz LVCCYHCSGLUQSV-UHFFFAOYSA-N 1 2 442.524 0.818 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001547768849 1072353328 /nfs/dbraw/zinc/35/33/28/1072353328.db2.gz NDKGMWIEVNAHTR-IBGZPJMESA-N 1 2 447.628 0.990 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001547768849 1072353320 /nfs/dbraw/zinc/35/33/20/1072353320.db2.gz NDKGMWIEVNAHTR-IBGZPJMESA-N 1 2 447.628 0.990 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001547768850 1072353384 /nfs/dbraw/zinc/35/33/84/1072353384.db2.gz NDKGMWIEVNAHTR-LJQANCHMSA-N 1 2 447.628 0.990 20 0 ICADLO CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001547768850 1072353371 /nfs/dbraw/zinc/35/33/71/1072353371.db2.gz NDKGMWIEVNAHTR-LJQANCHMSA-N 1 2 447.628 0.990 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(C)n2C[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC001547772168 1072355567 /nfs/dbraw/zinc/35/55/67/1072355567.db2.gz KVXGMYUXXUKBEA-INIZCTEOSA-N 1 2 428.545 0.939 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(C)n2C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001547772168 1072355553 /nfs/dbraw/zinc/35/55/53/1072355553.db2.gz KVXGMYUXXUKBEA-INIZCTEOSA-N 1 2 428.545 0.939 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(C)n2C[C@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC001547772182 1072355433 /nfs/dbraw/zinc/35/54/33/1072355433.db2.gz KVXGMYUXXUKBEA-MRXNPFEDSA-N 1 2 428.545 0.939 20 0 ICADLO CCNC(=O)N1CCN(c2nnc(C)n2C[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001547772182 1072355426 /nfs/dbraw/zinc/35/54/26/1072355426.db2.gz KVXGMYUXXUKBEA-MRXNPFEDSA-N 1 2 428.545 0.939 20 0 ICADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001547780042 1072359432 /nfs/dbraw/zinc/35/94/32/1072359432.db2.gz HDOOYBSUOXIYNM-KRWDZBQOSA-N 1 2 435.554 0.384 20 0 ICADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001547780045 1072359415 /nfs/dbraw/zinc/35/94/15/1072359415.db2.gz HDOOYBSUOXIYNM-QGZVFWFLSA-N 1 2 435.554 0.384 20 0 ICADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c[nH+]ccc2OC)C1 ZINC001547780299 1072359868 /nfs/dbraw/zinc/35/98/68/1072359868.db2.gz HDOMELKJXCCTCW-INIZCTEOSA-N 1 2 446.537 0.649 20 0 ICADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c[nH+]ccc2OC)C1 ZINC001547780304 1072359755 /nfs/dbraw/zinc/35/97/55/1072359755.db2.gz HDOMELKJXCCTCW-MRXNPFEDSA-N 1 2 446.537 0.649 20 0 ICADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001547787161 1072364968 /nfs/dbraw/zinc/36/49/68/1072364968.db2.gz YIRZBABTACQBDZ-KRWDZBQOSA-N 1 2 449.581 0.638 20 0 ICADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001547787163 1072364845 /nfs/dbraw/zinc/36/48/45/1072364845.db2.gz YIRZBABTACQBDZ-QGZVFWFLSA-N 1 2 449.581 0.638 20 0 ICADLO CCO[C@]1(c2nnc(N(C)[C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001547857314 1072370302 /nfs/dbraw/zinc/37/03/02/1072370302.db2.gz LCKAXJIILCKOEY-GHTZIAJQSA-N 1 2 436.557 0.319 20 0 ICADLO CCO[C@@]1(c2nnc(N(C)[C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001547857316 1072370504 /nfs/dbraw/zinc/37/05/04/1072370504.db2.gz LCKAXJIILCKOEY-NQIIRXRSSA-N 1 2 436.557 0.319 20 0 ICADLO CCO[C@@]1(c2nnc(N(C)[C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001547857318 1072370922 /nfs/dbraw/zinc/37/09/22/1072370922.db2.gz LCKAXJIILCKOEY-RXVVDRJESA-N 1 2 436.557 0.319 20 0 ICADLO CCO[C@]1(c2nnc(N(C)[C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001547857320 1072370957 /nfs/dbraw/zinc/37/09/57/1072370957.db2.gz LCKAXJIILCKOEY-WIYYLYMNSA-N 1 2 436.557 0.319 20 0 ICADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[C@H]2COCCO2)CCOC1 ZINC001547871504 1072372737 /nfs/dbraw/zinc/37/27/37/1072372737.db2.gz PAAVMIVYVKOYBZ-GHTZIAJQSA-N 1 2 439.557 0.504 20 0 ICADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[C@@H]2COCCO2)CCOC1 ZINC001547871505 1072372602 /nfs/dbraw/zinc/37/26/02/1072372602.db2.gz PAAVMIVYVKOYBZ-NQIIRXRSSA-N 1 2 439.557 0.504 20 0 ICADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[C@H]2COCCO2)CCOC1 ZINC001547871506 1072372561 /nfs/dbraw/zinc/37/25/61/1072372561.db2.gz PAAVMIVYVKOYBZ-RXVVDRJESA-N 1 2 439.557 0.504 20 0 ICADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[C@@H]2COCCO2)CCOC1 ZINC001547871507 1072372670 /nfs/dbraw/zinc/37/26/70/1072372670.db2.gz PAAVMIVYVKOYBZ-WIYYLYMNSA-N 1 2 439.557 0.504 20 0 ICADLO CCO[C@]1(c2nnc(N(C)CCn3cccn3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001547871826 1072373265 /nfs/dbraw/zinc/37/32/65/1072373265.db2.gz SSEHADIUOYPDDF-GHTZIAJQSA-N 1 2 433.557 0.984 20 0 ICADLO CCO[C@]1(c2nnc(N(C)CCn3cccn3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001547871826 1072373257 /nfs/dbraw/zinc/37/32/57/1072373257.db2.gz SSEHADIUOYPDDF-GHTZIAJQSA-N 1 2 433.557 0.984 20 0 ICADLO CCO[C@@]1(c2nnc(N(C)CCn3cccn3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001547871827 1072373196 /nfs/dbraw/zinc/37/31/96/1072373196.db2.gz SSEHADIUOYPDDF-NQIIRXRSSA-N 1 2 433.557 0.984 20 0 ICADLO CCO[C@@]1(c2nnc(N(C)CCn3cccn3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001547871827 1072373190 /nfs/dbraw/zinc/37/31/90/1072373190.db2.gz SSEHADIUOYPDDF-NQIIRXRSSA-N 1 2 433.557 0.984 20 0 ICADLO CCO[C@@]1(c2nnc(N(C)CCn3cccn3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001547871828 1072373222 /nfs/dbraw/zinc/37/32/22/1072373222.db2.gz SSEHADIUOYPDDF-RXVVDRJESA-N 1 2 433.557 0.984 20 0 ICADLO CCO[C@@]1(c2nnc(N(C)CCn3cccn3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001547871828 1072373218 /nfs/dbraw/zinc/37/32/18/1072373218.db2.gz SSEHADIUOYPDDF-RXVVDRJESA-N 1 2 433.557 0.984 20 0 ICADLO CCO[C@]1(c2nnc(N(C)CCn3cccn3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001547871829 1072373153 /nfs/dbraw/zinc/37/31/53/1072373153.db2.gz SSEHADIUOYPDDF-WIYYLYMNSA-N 1 2 433.557 0.984 20 0 ICADLO CCO[C@]1(c2nnc(N(C)CCn3cccn3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001547871829 1072373150 /nfs/dbraw/zinc/37/31/50/1072373150.db2.gz SSEHADIUOYPDDF-WIYYLYMNSA-N 1 2 433.557 0.984 20 0 ICADLO CCO[C@]1(c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001547884182 1072375263 /nfs/dbraw/zinc/37/52/63/1072375263.db2.gz GTPGHGMKBVWZEJ-HRAATJIYSA-N 1 2 429.525 0.751 20 0 ICADLO CCO[C@@]1(c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001547884190 1072375379 /nfs/dbraw/zinc/37/53/79/1072375379.db2.gz GTPGHGMKBVWZEJ-IERDGZPVSA-N 1 2 429.525 0.751 20 0 ICADLO CCO[C@]1(c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001547884192 1072375186 /nfs/dbraw/zinc/37/51/86/1072375186.db2.gz GTPGHGMKBVWZEJ-IIBYNOLFSA-N 1 2 429.525 0.751 20 0 ICADLO CCO[C@@]1(c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)CCOC1 ZINC001547884194 1072375352 /nfs/dbraw/zinc/37/53/52/1072375352.db2.gz GTPGHGMKBVWZEJ-KKSFZXQISA-N 1 2 429.525 0.751 20 0 ICADLO CCO[C@]1(c2nnc(N3CC[C@@H](C(=O)OC)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001547885851 1072376281 /nfs/dbraw/zinc/37/62/81/1072376281.db2.gz PTQALLPCYPFYOR-CBGDNZLLSA-N 1 2 437.541 0.650 20 0 ICADLO CCO[C@]1(c2nnc(N3CC[C@@H](C(=O)OC)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001547885851 1072376272 /nfs/dbraw/zinc/37/62/72/1072376272.db2.gz PTQALLPCYPFYOR-CBGDNZLLSA-N 1 2 437.541 0.650 20 0 ICADLO CCO[C@]1(c2nnc(N3CC[C@@H](C(=O)OC)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001547885852 1072376364 /nfs/dbraw/zinc/37/63/64/1072376364.db2.gz PTQALLPCYPFYOR-CSODHUTKSA-N 1 2 437.541 0.650 20 0 ICADLO CCO[C@]1(c2nnc(N3CC[C@@H](C(=O)OC)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001547885852 1072376353 /nfs/dbraw/zinc/37/63/53/1072376353.db2.gz PTQALLPCYPFYOR-CSODHUTKSA-N 1 2 437.541 0.650 20 0 ICADLO CCO[C@]1(c2nnc(N3CC[C@H](C(=O)OC)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001547885853 1072376230 /nfs/dbraw/zinc/37/62/30/1072376230.db2.gz PTQALLPCYPFYOR-LLGFUMIMSA-N 1 2 437.541 0.650 20 0 ICADLO CCO[C@]1(c2nnc(N3CC[C@H](C(=O)OC)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001547885853 1072376218 /nfs/dbraw/zinc/37/62/18/1072376218.db2.gz PTQALLPCYPFYOR-LLGFUMIMSA-N 1 2 437.541 0.650 20 0 ICADLO CCO[C@]1(c2nnc(N3CC[C@H](C(=O)OC)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001547885854 1072376183 /nfs/dbraw/zinc/37/61/83/1072376183.db2.gz PTQALLPCYPFYOR-XGHQBKJUSA-N 1 2 437.541 0.650 20 0 ICADLO CCO[C@]1(c2nnc(N3CC[C@H](C(=O)OC)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001547885854 1072376173 /nfs/dbraw/zinc/37/61/73/1072376173.db2.gz PTQALLPCYPFYOR-XGHQBKJUSA-N 1 2 437.541 0.650 20 0 ICADLO CCO[C@@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCS(C)(=O)=O)CCOC1 ZINC001547914076 1072386264 /nfs/dbraw/zinc/38/62/64/1072386264.db2.gz XYKIZZQDUXBZDP-IBGZPJMESA-N 1 2 429.587 0.895 20 0 ICADLO CCO[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCS(C)(=O)=O)CCOC1 ZINC001547914077 1072386175 /nfs/dbraw/zinc/38/61/75/1072386175.db2.gz XYKIZZQDUXBZDP-LJQANCHMSA-N 1 2 429.587 0.895 20 0 ICADLO CCO[C@@]1(c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCCS(C)(=O)=O)CCOC1 ZINC001547917035 1072388149 /nfs/dbraw/zinc/38/81/49/1072388149.db2.gz NCXFSJZIOMNFOO-FQEVSTJZSA-N 1 2 441.598 0.897 20 0 ICADLO CCO[C@]1(c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCCS(C)(=O)=O)CCOC1 ZINC001547917036 1072388100 /nfs/dbraw/zinc/38/81/00/1072388100.db2.gz NCXFSJZIOMNFOO-HXUWFJFHSA-N 1 2 441.598 0.897 20 0 ICADLO CCO[C@]1(c2nnc(N3CCO[C@H](COC)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001547923727 1072392391 /nfs/dbraw/zinc/39/23/91/1072392391.db2.gz QUCHIUIBXWUHGB-BBTUJRGHSA-N 1 2 439.557 0.503 20 0 ICADLO CCO[C@]1(c2nnc(N3CCO[C@H](COC)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001547923727 1072392378 /nfs/dbraw/zinc/39/23/78/1072392378.db2.gz QUCHIUIBXWUHGB-BBTUJRGHSA-N 1 2 439.557 0.503 20 0 ICADLO CCO[C@]1(c2nnc(N3CCO[C@@H](COC)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001547923728 1072392602 /nfs/dbraw/zinc/39/26/02/1072392602.db2.gz QUCHIUIBXWUHGB-DBXWQHBBSA-N 1 2 439.557 0.503 20 0 ICADLO CCO[C@]1(c2nnc(N3CCO[C@@H](COC)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001547923728 1072392596 /nfs/dbraw/zinc/39/25/96/1072392596.db2.gz QUCHIUIBXWUHGB-DBXWQHBBSA-N 1 2 439.557 0.503 20 0 ICADLO CCO[C@]1(c2nnc(N3CCO[C@H](COC)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001547923729 1072392566 /nfs/dbraw/zinc/39/25/66/1072392566.db2.gz QUCHIUIBXWUHGB-LVCYWYKZSA-N 1 2 439.557 0.503 20 0 ICADLO CCO[C@]1(c2nnc(N3CCO[C@H](COC)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001547923729 1072392560 /nfs/dbraw/zinc/39/25/60/1072392560.db2.gz QUCHIUIBXWUHGB-LVCYWYKZSA-N 1 2 439.557 0.503 20 0 ICADLO CCO[C@]1(c2nnc(N3CCO[C@@H](COC)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001547923730 1072392494 /nfs/dbraw/zinc/39/24/94/1072392494.db2.gz QUCHIUIBXWUHGB-WAOWUJCRSA-N 1 2 439.557 0.503 20 0 ICADLO CCO[C@]1(c2nnc(N3CCO[C@@H](COC)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001547923730 1072392490 /nfs/dbraw/zinc/39/24/90/1072392490.db2.gz QUCHIUIBXWUHGB-WAOWUJCRSA-N 1 2 439.557 0.503 20 0 ICADLO CCO[C@@]1(c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001547927007 1072395619 /nfs/dbraw/zinc/39/56/19/1072395619.db2.gz HRLWUCRMUWBMRI-MMOPVJDHSA-N 1 2 438.548 0.889 20 0 ICADLO CCO[C@]1(c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001547927008 1072395547 /nfs/dbraw/zinc/39/55/47/1072395547.db2.gz HRLWUCRMUWBMRI-PLMTUMEDSA-N 1 2 438.548 0.889 20 0 ICADLO CCOCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001548079302 1072402954 /nfs/dbraw/zinc/40/29/54/1072402954.db2.gz MBRQXLHXRDYEND-INIZCTEOSA-N 1 2 444.602 0.396 20 0 ICADLO CCOCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001548079302 1072402949 /nfs/dbraw/zinc/40/29/49/1072402949.db2.gz MBRQXLHXRDYEND-INIZCTEOSA-N 1 2 444.602 0.396 20 0 ICADLO CCOCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001548079303 1072403674 /nfs/dbraw/zinc/40/36/74/1072403674.db2.gz MBRQXLHXRDYEND-MRXNPFEDSA-N 1 2 444.602 0.396 20 0 ICADLO CCOCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001548079303 1072403671 /nfs/dbraw/zinc/40/36/71/1072403671.db2.gz MBRQXLHXRDYEND-MRXNPFEDSA-N 1 2 444.602 0.396 20 0 ICADLO CCOCc1nnc(N(C)CCC(=O)NC)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001548091192 1072403642 /nfs/dbraw/zinc/40/36/42/1072403642.db2.gz MKYAGAVMHAHIQE-IBGZPJMESA-N 1 2 426.587 0.595 20 0 ICADLO CCOCc1nnc(N(C)CCC(=O)NC)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001548091193 1072403524 /nfs/dbraw/zinc/40/35/24/1072403524.db2.gz MKYAGAVMHAHIQE-LJQANCHMSA-N 1 2 426.587 0.595 20 0 ICADLO CCOCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001548095480 1072404167 /nfs/dbraw/zinc/40/41/67/1072404167.db2.gz BMQVWHHSSCXPKI-JXFKEZNVSA-N 1 2 438.598 0.689 20 0 ICADLO CCOCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001548095481 1072404095 /nfs/dbraw/zinc/40/40/95/1072404095.db2.gz BMQVWHHSSCXPKI-OXJNMPFZSA-N 1 2 438.598 0.689 20 0 ICADLO CCOCc1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001548095482 1072404134 /nfs/dbraw/zinc/40/41/34/1072404134.db2.gz BMQVWHHSSCXPKI-OXQOHEQNSA-N 1 2 438.598 0.689 20 0 ICADLO CCOCc1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001548095483 1072404207 /nfs/dbraw/zinc/40/42/07/1072404207.db2.gz BMQVWHHSSCXPKI-UZLBHIALSA-N 1 2 438.598 0.689 20 0 ICADLO CCOCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001548127812 1072409326 /nfs/dbraw/zinc/40/93/26/1072409326.db2.gz RPSKGDLCPDMPKG-INIZCTEOSA-N 1 2 444.602 0.396 20 0 ICADLO CCOCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001548127813 1072409289 /nfs/dbraw/zinc/40/92/89/1072409289.db2.gz RPSKGDLCPDMPKG-MRXNPFEDSA-N 1 2 444.602 0.396 20 0 ICADLO CCOCc1nnc(N2CCC(NC(=O)C3CC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548130763 1072409845 /nfs/dbraw/zinc/40/98/45/1072409845.db2.gz QPSGAEYLMMQCKA-UHFFFAOYSA-N 1 2 447.584 0.474 20 0 ICADLO CCOCc1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001548133457 1072410960 /nfs/dbraw/zinc/41/09/60/1072410960.db2.gz XYHDPKQGJIMGGK-INIZCTEOSA-N 1 2 444.602 0.443 20 0 ICADLO CCOCc1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001548133457 1072410955 /nfs/dbraw/zinc/41/09/55/1072410955.db2.gz XYHDPKQGJIMGGK-INIZCTEOSA-N 1 2 444.602 0.443 20 0 ICADLO CCOCc1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001548133458 1072411008 /nfs/dbraw/zinc/41/10/08/1072411008.db2.gz XYHDPKQGJIMGGK-MRXNPFEDSA-N 1 2 444.602 0.443 20 0 ICADLO CCOCc1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001548133458 1072411005 /nfs/dbraw/zinc/41/10/05/1072411005.db2.gz XYHDPKQGJIMGGK-MRXNPFEDSA-N 1 2 444.602 0.443 20 0 ICADLO CCOCc1nnc(N2CCC3(CNC(=O)C3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548134079 1072410941 /nfs/dbraw/zinc/41/09/41/1072410941.db2.gz FGLOIDGUVVBVQY-UHFFFAOYSA-N 1 2 433.557 0.085 20 0 ICADLO CCOCc1nnc(N2CCC3(COC(=O)N3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001548134676 1072410983 /nfs/dbraw/zinc/41/09/83/1072410983.db2.gz OAZFEYPVIMMGLI-KRWDZBQOSA-N 1 2 435.573 0.919 20 0 ICADLO CCOCc1nnc(N2CCC3(COC(=O)N3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001548134677 1072411044 /nfs/dbraw/zinc/41/10/44/1072411044.db2.gz OAZFEYPVIMMGLI-QGZVFWFLSA-N 1 2 435.573 0.919 20 0 ICADLO CCOCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@H](C)[NH+]1CCOCC1 ZINC001548135115 1072411656 /nfs/dbraw/zinc/41/16/56/1072411656.db2.gz TUYXMDLENCOREU-HNNXBMFYSA-N 1 2 435.529 0.056 20 0 ICADLO CCOCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001548135116 1072411605 /nfs/dbraw/zinc/41/16/05/1072411605.db2.gz TUYXMDLENCOREU-OAHLLOKOSA-N 1 2 435.529 0.056 20 0 ICADLO CCOCc1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548160846 1072414402 /nfs/dbraw/zinc/41/44/02/1072414402.db2.gz QHRBRFROWZKMHJ-UHFFFAOYSA-N 1 2 447.584 0.427 20 0 ICADLO CCOCc1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001548167611 1072417822 /nfs/dbraw/zinc/41/78/22/1072417822.db2.gz XVSXAGNVTOCEFB-GOSISDBHSA-N 1 2 437.589 0.136 20 0 ICADLO CCOCc1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001548167614 1072417908 /nfs/dbraw/zinc/41/79/08/1072417908.db2.gz XVSXAGNVTOCEFB-SFHVURJKSA-N 1 2 437.589 0.136 20 0 ICADLO CCOCc1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001548167973 1072417854 /nfs/dbraw/zinc/41/78/54/1072417854.db2.gz GCAOMNDROSWHLG-UHFFFAOYSA-N 1 2 445.524 0.983 20 0 ICADLO CCOCc1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548168562 1072418533 /nfs/dbraw/zinc/41/85/33/1072418533.db2.gz YBKDSPDKPFSQJC-INIZCTEOSA-N 1 2 437.545 0.256 20 0 ICADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCc1cn[nH]c1 ZINC001548170213 1072418473 /nfs/dbraw/zinc/41/84/73/1072418473.db2.gz GVBDENUGMYRMAX-KRWDZBQOSA-N 1 2 430.557 0.913 20 0 ICADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCc1cn[nH]c1 ZINC001548170214 1072418443 /nfs/dbraw/zinc/41/84/43/1072418443.db2.gz GVBDENUGMYRMAX-QGZVFWFLSA-N 1 2 430.557 0.913 20 0 ICADLO CCOCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001548173737 1072419619 /nfs/dbraw/zinc/41/96/19/1072419619.db2.gz NMIRPJYIKJYDJW-INIZCTEOSA-N 1 2 432.529 0.122 20 0 ICADLO CCOCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001548173737 1072419617 /nfs/dbraw/zinc/41/96/17/1072419617.db2.gz NMIRPJYIKJYDJW-INIZCTEOSA-N 1 2 432.529 0.122 20 0 ICADLO CCOCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001548173738 1072419707 /nfs/dbraw/zinc/41/97/07/1072419707.db2.gz NMIRPJYIKJYDJW-MRXNPFEDSA-N 1 2 432.529 0.122 20 0 ICADLO CCOCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001548173738 1072419703 /nfs/dbraw/zinc/41/97/03/1072419703.db2.gz NMIRPJYIKJYDJW-MRXNPFEDSA-N 1 2 432.529 0.122 20 0 ICADLO CCOCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCCNS(C)(=O)=O ZINC001548175090 1072420216 /nfs/dbraw/zinc/42/02/16/1072420216.db2.gz UJUMCOYLXADBDV-UHFFFAOYSA-N 1 2 438.558 0.179 20 0 ICADLO CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001548176313 1072420847 /nfs/dbraw/zinc/42/08/47/1072420847.db2.gz CBXCRLRHIPRNQY-UHFFFAOYSA-N 1 2 427.571 0.693 20 0 ICADLO CCOCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001548177042 1072421262 /nfs/dbraw/zinc/42/12/62/1072421262.db2.gz FVUGHHIJWLEWTI-UHFFFAOYSA-N 1 2 444.584 0.971 20 0 ICADLO CCOCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001548177897 1072421269 /nfs/dbraw/zinc/42/12/69/1072421269.db2.gz UHSOLTFHSBPUPC-GOSISDBHSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001548177900 1072421300 /nfs/dbraw/zinc/42/13/00/1072421300.db2.gz UHSOLTFHSBPUPC-SFHVURJKSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548179080 1072422027 /nfs/dbraw/zinc/42/20/27/1072422027.db2.gz RPSORPBWMDZLDS-UHFFFAOYSA-N 1 2 447.506 0.663 20 0 ICADLO CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCS(=O)(=O)NC ZINC001548179811 1072421949 /nfs/dbraw/zinc/42/19/49/1072421949.db2.gz WIURECZKJQUOMN-UHFFFAOYSA-N 1 2 443.599 0.451 20 0 ICADLO CCOCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001548179989 1072422438 /nfs/dbraw/zinc/42/24/38/1072422438.db2.gz WGYOGRVZCWSGEE-UHFFFAOYSA-N 1 2 442.568 0.725 20 0 ICADLO CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001548181228 1072422370 /nfs/dbraw/zinc/42/23/70/1072422370.db2.gz ACORODUCWYQWCK-UHFFFAOYSA-N 1 2 449.581 0.940 20 0 ICADLO CCOCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001548181606 1072423095 /nfs/dbraw/zinc/42/30/95/1072423095.db2.gz PUFOXYIEHULGGT-MOPGFXCFSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001548181608 1072423068 /nfs/dbraw/zinc/42/30/68/1072423068.db2.gz PUFOXYIEHULGGT-RTBURBONSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001548182001 1072423536 /nfs/dbraw/zinc/42/35/36/1072423536.db2.gz SUXOQJHVLTYUIQ-MSOLQXFVSA-N 1 2 441.598 0.798 20 0 ICADLO CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001548182002 1072423551 /nfs/dbraw/zinc/42/35/51/1072423551.db2.gz SUXOQJHVLTYUIQ-QZTJIDSGSA-N 1 2 441.598 0.798 20 0 ICADLO CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001548182003 1072423528 /nfs/dbraw/zinc/42/35/28/1072423528.db2.gz SUXOQJHVLTYUIQ-ROUUACIJSA-N 1 2 441.598 0.798 20 0 ICADLO CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001548182004 1072423491 /nfs/dbraw/zinc/42/34/91/1072423491.db2.gz SUXOQJHVLTYUIQ-ZWKOTPCHSA-N 1 2 441.598 0.798 20 0 ICADLO CCOCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001548182817 1072424068 /nfs/dbraw/zinc/42/40/68/1072424068.db2.gz PYVFKMVIEUQBGF-HOTGVXAUSA-N 1 2 430.575 0.005 20 0 ICADLO CCOCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001548182817 1072424062 /nfs/dbraw/zinc/42/40/62/1072424062.db2.gz PYVFKMVIEUQBGF-HOTGVXAUSA-N 1 2 430.575 0.005 20 0 ICADLO CCOCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001548182818 1072423943 /nfs/dbraw/zinc/42/39/43/1072423943.db2.gz PYVFKMVIEUQBGF-JKSUJKDBSA-N 1 2 430.575 0.005 20 0 ICADLO CCOCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001548182818 1072423936 /nfs/dbraw/zinc/42/39/36/1072423936.db2.gz PYVFKMVIEUQBGF-JKSUJKDBSA-N 1 2 430.575 0.005 20 0 ICADLO CCOCc1nnc(N2CCOC3(CCOCC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548192634 1072427405 /nfs/dbraw/zinc/42/74/05/1072427405.db2.gz AHUGFVVVNXXQQQ-UHFFFAOYSA-N 1 2 436.557 0.365 20 0 ICADLO CCOCc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548196855 1072427786 /nfs/dbraw/zinc/42/77/86/1072427786.db2.gz YHBDRUOIXQEUTH-ZWKOTPCHSA-N 1 2 433.557 0.036 20 0 ICADLO CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001548244317 1072430737 /nfs/dbraw/zinc/43/07/37/1072430737.db2.gz LMTCZQUGWBZCRK-MSOLQXFVSA-N 1 2 447.584 0.789 20 0 ICADLO CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001548244318 1072430669 /nfs/dbraw/zinc/43/06/69/1072430669.db2.gz LMTCZQUGWBZCRK-QZTJIDSGSA-N 1 2 447.584 0.789 20 0 ICADLO CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001548244319 1072430796 /nfs/dbraw/zinc/43/07/96/1072430796.db2.gz LMTCZQUGWBZCRK-ROUUACIJSA-N 1 2 447.584 0.789 20 0 ICADLO CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001548244320 1072430685 /nfs/dbraw/zinc/43/06/85/1072430685.db2.gz LMTCZQUGWBZCRK-ZWKOTPCHSA-N 1 2 447.584 0.789 20 0 ICADLO CCOCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001548254592 1072431808 /nfs/dbraw/zinc/43/18/08/1072431808.db2.gz YDSKGYVCOIFDQA-KRWDZBQOSA-N 1 2 429.525 0.982 20 0 ICADLO CCOCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001548254593 1072431767 /nfs/dbraw/zinc/43/17/67/1072431767.db2.gz YDSKGYVCOIFDQA-QGZVFWFLSA-N 1 2 429.525 0.982 20 0 ICADLO CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001548262615 1072432159 /nfs/dbraw/zinc/43/21/59/1072432159.db2.gz IBUWCXLATHKSCK-HNNXBMFYSA-N 1 2 441.558 0.543 20 0 ICADLO CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001548262619 1072432760 /nfs/dbraw/zinc/43/27/60/1072432760.db2.gz IBUWCXLATHKSCK-OAHLLOKOSA-N 1 2 441.558 0.543 20 0 ICADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)C[C@H]1CC ZINC001548285923 1072438160 /nfs/dbraw/zinc/43/81/60/1072438160.db2.gz XUOAHDYPPHBNHV-DLBZAZTESA-N 1 2 443.614 0.888 20 0 ICADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)C[C@H]1CC ZINC001548285923 1072438157 /nfs/dbraw/zinc/43/81/57/1072438157.db2.gz XUOAHDYPPHBNHV-DLBZAZTESA-N 1 2 443.614 0.888 20 0 ICADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)C[C@H]1CC ZINC001548285925 1072438285 /nfs/dbraw/zinc/43/82/85/1072438285.db2.gz XUOAHDYPPHBNHV-IAGOWNOFSA-N 1 2 443.614 0.888 20 0 ICADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)C[C@H]1CC ZINC001548285925 1072438281 /nfs/dbraw/zinc/43/82/81/1072438281.db2.gz XUOAHDYPPHBNHV-IAGOWNOFSA-N 1 2 443.614 0.888 20 0 ICADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)C[C@@H]1CC ZINC001548285927 1072438227 /nfs/dbraw/zinc/43/82/27/1072438227.db2.gz XUOAHDYPPHBNHV-IRXDYDNUSA-N 1 2 443.614 0.888 20 0 ICADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)C[C@@H]1CC ZINC001548285927 1072438224 /nfs/dbraw/zinc/43/82/24/1072438224.db2.gz XUOAHDYPPHBNHV-IRXDYDNUSA-N 1 2 443.614 0.888 20 0 ICADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)C[C@@H]1CC ZINC001548285928 1072438319 /nfs/dbraw/zinc/43/83/19/1072438319.db2.gz XUOAHDYPPHBNHV-SJORKVTESA-N 1 2 443.614 0.888 20 0 ICADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)C[C@@H]1CC ZINC001548285928 1072438315 /nfs/dbraw/zinc/43/83/15/1072438315.db2.gz XUOAHDYPPHBNHV-SJORKVTESA-N 1 2 443.614 0.888 20 0 ICADLO CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001548294743 1072439414 /nfs/dbraw/zinc/43/94/14/1072439414.db2.gz MFOYKUYVJDZCJT-KRWDZBQOSA-N 1 2 436.582 0.895 20 0 ICADLO CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001548294743 1072439409 /nfs/dbraw/zinc/43/94/09/1072439409.db2.gz MFOYKUYVJDZCJT-KRWDZBQOSA-N 1 2 436.582 0.895 20 0 ICADLO CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001548294746 1072439374 /nfs/dbraw/zinc/43/93/74/1072439374.db2.gz MFOYKUYVJDZCJT-QGZVFWFLSA-N 1 2 436.582 0.895 20 0 ICADLO CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001548294746 1072439369 /nfs/dbraw/zinc/43/93/69/1072439369.db2.gz MFOYKUYVJDZCJT-QGZVFWFLSA-N 1 2 436.582 0.895 20 0 ICADLO CCS(=O)(=O)CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001548305389 1072442661 /nfs/dbraw/zinc/44/26/61/1072442661.db2.gz INYYSOUQDQNMDF-UHFFFAOYSA-N 1 2 437.570 0.797 20 0 ICADLO CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001548313998 1072446450 /nfs/dbraw/zinc/44/64/50/1072446450.db2.gz LAZUVMOKRXZCFT-UHFFFAOYSA-N 1 2 447.565 0.670 20 0 ICADLO CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001548314470 1072447101 /nfs/dbraw/zinc/44/71/01/1072447101.db2.gz OFTKWTCFALMXLH-UHFFFAOYSA-N 1 2 426.587 0.727 20 0 ICADLO CCS(=O)(=O)NC1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001548330206 1072454745 /nfs/dbraw/zinc/45/47/45/1072454745.db2.gz IQUBWLWKLLYUAK-UHFFFAOYSA-N 1 2 449.581 0.775 20 0 ICADLO CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001552399566 1072473822 /nfs/dbraw/zinc/47/38/22/1072473822.db2.gz LQYXHAIMKFXBHK-KRWDZBQOSA-N 1 2 449.581 0.833 20 0 ICADLO CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001552399567 1072473876 /nfs/dbraw/zinc/47/38/76/1072473876.db2.gz LQYXHAIMKFXBHK-QGZVFWFLSA-N 1 2 449.581 0.833 20 0 ICADLO CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001552409217 1072478756 /nfs/dbraw/zinc/47/87/56/1072478756.db2.gz GNBZVWUFPWQPFM-BJLXPSRBSA-N 1 2 440.614 0.734 20 0 ICADLO CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001552409219 1072478706 /nfs/dbraw/zinc/47/87/06/1072478706.db2.gz GNBZVWUFPWQPFM-ZQHDKMAOSA-N 1 2 440.614 0.734 20 0 ICADLO CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001552409983 1072479428 /nfs/dbraw/zinc/47/94/28/1072479428.db2.gz LUKNFFOCAJTRMC-BCOMRZATSA-N 1 2 426.587 0.486 20 0 ICADLO CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001552409984 1072479394 /nfs/dbraw/zinc/47/93/94/1072479394.db2.gz LUKNFFOCAJTRMC-GUNSETOZSA-N 1 2 426.587 0.486 20 0 ICADLO CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001552409985 1072479315 /nfs/dbraw/zinc/47/93/15/1072479315.db2.gz LUKNFFOCAJTRMC-HYDGNGQDSA-N 1 2 426.587 0.486 20 0 ICADLO CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001552409986 1072479983 /nfs/dbraw/zinc/47/99/83/1072479983.db2.gz LUKNFFOCAJTRMC-OFJJUDJNSA-N 1 2 426.587 0.486 20 0 ICADLO CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001552410693 1072480058 /nfs/dbraw/zinc/48/00/58/1072480058.db2.gz ORRORHGCYCBZGW-BJLXPSRBSA-N 1 2 438.598 0.584 20 0 ICADLO CC[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001552410695 1072479966 /nfs/dbraw/zinc/47/99/66/1072479966.db2.gz ORRORHGCYCBZGW-NOVUIFNWSA-N 1 2 438.598 0.584 20 0 ICADLO CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001552410696 1072480031 /nfs/dbraw/zinc/48/00/31/1072480031.db2.gz ORRORHGCYCBZGW-ZOKDDAQRSA-N 1 2 438.598 0.584 20 0 ICADLO CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001552410697 1072480091 /nfs/dbraw/zinc/48/00/91/1072480091.db2.gz ORRORHGCYCBZGW-ZQHDKMAOSA-N 1 2 438.598 0.584 20 0 ICADLO CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001552692154 1072490932 /nfs/dbraw/zinc/49/09/32/1072490932.db2.gz NPSZLGAAGVNURW-DLBZAZTESA-N 1 2 438.598 0.723 20 0 ICADLO CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001552692154 1072490925 /nfs/dbraw/zinc/49/09/25/1072490925.db2.gz NPSZLGAAGVNURW-DLBZAZTESA-N 1 2 438.598 0.723 20 0 ICADLO CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001552692157 1072490969 /nfs/dbraw/zinc/49/09/69/1072490969.db2.gz NPSZLGAAGVNURW-IAGOWNOFSA-N 1 2 438.598 0.723 20 0 ICADLO CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001552692157 1072490964 /nfs/dbraw/zinc/49/09/64/1072490964.db2.gz NPSZLGAAGVNURW-IAGOWNOFSA-N 1 2 438.598 0.723 20 0 ICADLO CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001552692161 1072490899 /nfs/dbraw/zinc/49/08/99/1072490899.db2.gz NPSZLGAAGVNURW-IRXDYDNUSA-N 1 2 438.598 0.723 20 0 ICADLO CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001552692161 1072490881 /nfs/dbraw/zinc/49/08/81/1072490881.db2.gz NPSZLGAAGVNURW-IRXDYDNUSA-N 1 2 438.598 0.723 20 0 ICADLO CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001552692164 1072491029 /nfs/dbraw/zinc/49/10/29/1072491029.db2.gz NPSZLGAAGVNURW-SJORKVTESA-N 1 2 438.598 0.723 20 0 ICADLO CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001552692164 1072491023 /nfs/dbraw/zinc/49/10/23/1072491023.db2.gz NPSZLGAAGVNURW-SJORKVTESA-N 1 2 438.598 0.723 20 0 ICADLO CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001552723980 1072494823 /nfs/dbraw/zinc/49/48/23/1072494823.db2.gz CABLQABQIUMKSD-UHFFFAOYSA-N 1 2 426.525 0.626 20 0 ICADLO CN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001552727976 1072495310 /nfs/dbraw/zinc/49/53/10/1072495310.db2.gz HENRHEPEFYRCPW-UHFFFAOYSA-N 1 2 443.527 0.917 20 0 ICADLO CN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001552728467 1072495474 /nfs/dbraw/zinc/49/54/74/1072495474.db2.gz NDDQKKLKFWVMIC-UHFFFAOYSA-N 1 2 426.525 0.173 20 0 ICADLO CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCCS(C)(=O)=O)c[nH+]1 ZINC001552813951 1072503469 /nfs/dbraw/zinc/50/34/69/1072503469.db2.gz LSSZBBIXZVKZSL-UHFFFAOYSA-N 1 2 449.581 0.894 20 0 ICADLO CN(C)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CCNS(C)(=O)=O)c[nH+]1 ZINC001552823014 1072503598 /nfs/dbraw/zinc/50/35/98/1072503598.db2.gz NIGHTBWFTOSYFB-UHFFFAOYSA-N 1 2 433.542 0.173 20 0 ICADLO CN(C)c1ccc(Cn2c(-c3cccn3C)nnc2N(C)CCNS(C)(=O)=O)c[nH+]1 ZINC001552823032 1072503631 /nfs/dbraw/zinc/50/36/31/1072503631.db2.gz NQYVEGXGUAOYFW-UHFFFAOYSA-N 1 2 432.554 0.778 20 0 ICADLO CN(C)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c[nH+]1 ZINC001552823512 1072503511 /nfs/dbraw/zinc/50/35/11/1072503511.db2.gz SINQAVYGDGQWLU-INIZCTEOSA-N 1 2 430.538 0.811 20 0 ICADLO CN(C)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c[nH+]1 ZINC001552823514 1072503372 /nfs/dbraw/zinc/50/33/72/1072503372.db2.gz SINQAVYGDGQWLU-MRXNPFEDSA-N 1 2 430.538 0.811 20 0 ICADLO CN(C)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC=CCC2)c[nH+]1 ZINC001552830424 1072503561 /nfs/dbraw/zinc/50/35/61/1072503561.db2.gz DQGQJADUVWVKKZ-KRWDZBQOSA-N 1 2 447.565 0.887 20 0 ICADLO CN(C)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC=CCC2)c[nH+]1 ZINC001552830429 1072503546 /nfs/dbraw/zinc/50/35/46/1072503546.db2.gz DQGQJADUVWVKKZ-QGZVFWFLSA-N 1 2 447.565 0.887 20 0 ICADLO CN(C)c1cccnc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001552830584 1072503397 /nfs/dbraw/zinc/50/33/97/1072503397.db2.gz DEEUFTVRSHIHEE-UHFFFAOYSA-N 1 2 442.568 0.792 20 0 ICADLO CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)c[nH+]1 ZINC001552831183 1072503643 /nfs/dbraw/zinc/50/36/43/1072503643.db2.gz JDVVMIUDWZPYDM-HNNXBMFYSA-N 1 2 433.538 0.016 20 0 ICADLO CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)c[nH+]1 ZINC001552831184 1072503576 /nfs/dbraw/zinc/50/35/76/1072503576.db2.gz JDVVMIUDWZPYDM-OAHLLOKOSA-N 1 2 433.538 0.016 20 0 ICADLO CN(C)c1cccnc1Cn1c(-c2cnn(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001552831521 1072503429 /nfs/dbraw/zinc/50/34/29/1072503429.db2.gz OEWAWLYQUXTYKQ-UHFFFAOYSA-N 1 2 425.541 0.956 20 0 ICADLO CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC001552832065 1072503349 /nfs/dbraw/zinc/50/33/49/1072503349.db2.gz MCGHORFLRIOMDD-HOTGVXAUSA-N 1 2 447.565 0.391 20 0 ICADLO CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC001552832067 1072503614 /nfs/dbraw/zinc/50/36/14/1072503614.db2.gz MCGHORFLRIOMDD-JKSUJKDBSA-N 1 2 447.565 0.391 20 0 ICADLO CN(C)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CC(=O)N2CCOCC2)c[nH+]1 ZINC001552833164 1072503491 /nfs/dbraw/zinc/50/34/91/1072503491.db2.gz NNFOGAHSQKGSFF-GOSISDBHSA-N 1 2 443.552 0.976 20 0 ICADLO CN(C)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)CC(=O)N2CCOCC2)c[nH+]1 ZINC001552833168 1072504069 /nfs/dbraw/zinc/50/40/69/1072504069.db2.gz NNFOGAHSQKGSFF-SFHVURJKSA-N 1 2 443.552 0.976 20 0 ICADLO CN(C)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)c[nH+]1 ZINC001552833172 1072503959 /nfs/dbraw/zinc/50/39/59/1072503959.db2.gz NOPRFZWUZWKHRY-INIZCTEOSA-N 1 2 435.554 0.373 20 0 ICADLO CN(C)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)c[nH+]1 ZINC001552833178 1072503980 /nfs/dbraw/zinc/50/39/80/1072503980.db2.gz NOPRFZWUZWKHRY-MRXNPFEDSA-N 1 2 435.554 0.373 20 0 ICADLO CN(C)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CC2)c[nH+]1 ZINC001552835302 1072504043 /nfs/dbraw/zinc/50/40/43/1072504043.db2.gz WDIRKQNFJKLPDW-KRWDZBQOSA-N 1 2 449.581 0.967 20 0 ICADLO CN(C)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CC2)c[nH+]1 ZINC001552835307 1072504178 /nfs/dbraw/zinc/50/41/78/1072504178.db2.gz WDIRKQNFJKLPDW-QGZVFWFLSA-N 1 2 449.581 0.967 20 0 ICADLO CN(C)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCNC(=O)C2)c[nH+]1 ZINC001552838915 1072504116 /nfs/dbraw/zinc/50/41/16/1072504116.db2.gz ZVVRXVQIZRZJGO-UHFFFAOYSA-N 1 2 440.533 0.715 20 0 ICADLO C[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1)Cc1ccccc1 ZINC001554288166 1072535572 /nfs/dbraw/zinc/53/55/72/1072535572.db2.gz AHEIAOGVEPIJOT-UHFFFAOYSA-N 1 2 446.577 0.881 20 0 ICADLO C[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1)Cc1ccccc1 ZINC001554288166 1072535567 /nfs/dbraw/zinc/53/55/67/1072535567.db2.gz AHEIAOGVEPIJOT-UHFFFAOYSA-N 1 2 446.577 0.881 20 0 ICADLO CN(CCn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCOCC1)CC(F)(F)F ZINC001554288463 1072535553 /nfs/dbraw/zinc/53/55/53/1072535553.db2.gz JIDPUHKPLUDMOA-UHFFFAOYSA-N 1 2 447.506 0.777 20 0 ICADLO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 ZINC001554300233 1072537057 /nfs/dbraw/zinc/53/70/57/1072537057.db2.gz PKYQEGUMRNVUGN-DHMKHTPVSA-N 1 2 438.598 0.687 20 0 ICADLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 ZINC001554300233 1072537046 /nfs/dbraw/zinc/53/70/46/1072537046.db2.gz PKYQEGUMRNVUGN-DHMKHTPVSA-N 1 2 438.598 0.687 20 0 ICADLO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 ZINC001554300236 1072537217 /nfs/dbraw/zinc/53/72/17/1072537217.db2.gz PKYQEGUMRNVUGN-FOGNVHKLSA-N 1 2 438.598 0.687 20 0 ICADLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 ZINC001554300236 1072537204 /nfs/dbraw/zinc/53/72/04/1072537204.db2.gz PKYQEGUMRNVUGN-FOGNVHKLSA-N 1 2 438.598 0.687 20 0 ICADLO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 ZINC001554300240 1072537002 /nfs/dbraw/zinc/53/70/02/1072537002.db2.gz PKYQEGUMRNVUGN-INCQDFKNSA-N 1 2 438.598 0.687 20 0 ICADLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 ZINC001554300240 1072536997 /nfs/dbraw/zinc/53/69/97/1072536997.db2.gz PKYQEGUMRNVUGN-INCQDFKNSA-N 1 2 438.598 0.687 20 0 ICADLO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 ZINC001554300244 1072537087 /nfs/dbraw/zinc/53/70/87/1072537087.db2.gz PKYQEGUMRNVUGN-JGVYIQDASA-N 1 2 438.598 0.687 20 0 ICADLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 ZINC001554300244 1072537081 /nfs/dbraw/zinc/53/70/81/1072537081.db2.gz PKYQEGUMRNVUGN-JGVYIQDASA-N 1 2 438.598 0.687 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccn(C)n1 ZINC001554300274 1072537168 /nfs/dbraw/zinc/53/71/68/1072537168.db2.gz DRKQQAWANIXWNL-UHFFFAOYSA-N 1 2 439.524 0.670 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CCOc1ncccc1F ZINC001554300282 1072537017 /nfs/dbraw/zinc/53/70/17/1072537017.db2.gz DZHSXBMDRFMUFC-UHFFFAOYSA-N 1 2 447.515 0.896 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC1CC1 ZINC001554300859 1072537913 /nfs/dbraw/zinc/53/79/13/1072537913.db2.gz PDTNZIXMTJXEQH-UHFFFAOYSA-N 1 2 442.524 0.220 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1CC1(C(N)=O)CCOCC1 ZINC001554301126 1072537829 /nfs/dbraw/zinc/53/78/29/1072537829.db2.gz DTQJUGUTOSJYID-UHFFFAOYSA-N 1 2 429.525 0.391 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1CC1CCS(=O)(=O)CC1 ZINC001554301132 1072537766 /nfs/dbraw/zinc/53/77/66/1072537766.db2.gz DZXQSXVQKSIXJH-UHFFFAOYSA-N 1 2 434.566 0.933 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1CCC(=O)N1CCOCC1 ZINC001554301376 1072537864 /nfs/dbraw/zinc/53/78/64/1072537864.db2.gz KRSOIVLCWALIHD-UHFFFAOYSA-N 1 2 429.525 0.357 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1CCN1CCCS1(=O)=O ZINC001554301463 1072537888 /nfs/dbraw/zinc/53/78/88/1072537888.db2.gz OMHYDXKARCYKLI-UHFFFAOYSA-N 1 2 435.554 0.144 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccs1 ZINC001554301598 1072537683 /nfs/dbraw/zinc/53/76/83/1072537683.db2.gz AJOUOOWVFLGQGT-UHFFFAOYSA-N 1 2 444.565 0.939 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nnn(C)n1 ZINC001554301968 1072538408 /nfs/dbraw/zinc/53/84/08/1072538408.db2.gz IKPZJMYWARJBEB-UHFFFAOYSA-N 1 2 431.932 0.863 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ncccc1F ZINC001554302146 1072538581 /nfs/dbraw/zinc/53/85/81/1072538581.db2.gz NJUPASUQEJSQLK-INIZCTEOSA-N 1 2 433.488 0.611 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ncccc1F ZINC001554302147 1072538319 /nfs/dbraw/zinc/53/83/19/1072538319.db2.gz NJUPASUQEJSQLK-MRXNPFEDSA-N 1 2 433.488 0.611 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCC1 ZINC001554302207 1072538554 /nfs/dbraw/zinc/53/85/54/1072538554.db2.gz ABWDVNSYZAAALX-UHFFFAOYSA-N 1 2 434.566 0.953 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(N)=O)c1 ZINC001554302233 1072538346 /nfs/dbraw/zinc/53/83/46/1072538346.db2.gz PQLSLTOBFIEGHB-KRWDZBQOSA-N 1 2 427.509 0.145 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(N)=O)c1 ZINC001554302235 1072539068 /nfs/dbraw/zinc/53/90/68/1072539068.db2.gz PQLSLTOBFIEGHB-QGZVFWFLSA-N 1 2 427.509 0.145 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001554302409 1072539130 /nfs/dbraw/zinc/53/91/30/1072539130.db2.gz HWMOJGQMBYJSJI-INIZCTEOSA-N 1 2 447.565 0.687 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1CCc1cccc(C(N)=O)c1 ZINC001554302502 1072538945 /nfs/dbraw/zinc/53/89/45/1072538945.db2.gz RUMUFCMISNSFHH-UHFFFAOYSA-N 1 2 436.520 0.845 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1CCCN1CCOC1=O ZINC001554302589 1072539096 /nfs/dbraw/zinc/53/90/96/1072539096.db2.gz LLBZKXIJBVVVOF-UHFFFAOYSA-N 1 2 429.525 0.875 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1CCNC(=O)c1ccn[nH]1 ZINC001554302892 1072539189 /nfs/dbraw/zinc/53/91/89/1072539189.db2.gz UWHMFHPNCGLSGO-UHFFFAOYSA-N 1 2 439.524 0.185 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1CCCc1cnn(C)n1 ZINC001554302936 1072538963 /nfs/dbraw/zinc/53/89/63/1072538963.db2.gz WFAVTQODCWOQPP-UHFFFAOYSA-N 1 2 425.541 0.794 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@H]1CCC(=O)N1 ZINC001554302941 1072538985 /nfs/dbraw/zinc/53/89/85/1072538985.db2.gz WRKCPPUYNINYIH-GOSISDBHSA-N 1 2 428.537 0.947 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C2CC2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001554302952 1072538926 /nfs/dbraw/zinc/53/89/26/1072538926.db2.gz WWWLFJPDGLQARY-UHFFFAOYSA-N 1 2 434.566 0.814 20 0 ICADLO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001554305325 1072542395 /nfs/dbraw/zinc/54/23/95/1072542395.db2.gz HIRHIPYKYFOLMO-OAHLLOKOSA-N 1 2 430.575 0.226 20 0 ICADLO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001554305325 1072542386 /nfs/dbraw/zinc/54/23/86/1072542386.db2.gz HIRHIPYKYFOLMO-OAHLLOKOSA-N 1 2 430.575 0.226 20 0 ICADLO CN(CCNS(C)(=O)=O)c1nnc(CC2CCCC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001554305861 1072542795 /nfs/dbraw/zinc/54/27/95/1072542795.db2.gz NWQYQRRLICGTIF-UHFFFAOYSA-N 1 2 440.614 0.861 20 0 ICADLO CN(CCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001554317921 1072544757 /nfs/dbraw/zinc/54/47/57/1072544757.db2.gz FRLVWNWMLIYRRJ-AWEZNQCLSA-N 1 2 433.600 0.145 20 0 ICADLO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001554317922 1072544711 /nfs/dbraw/zinc/54/47/11/1072544711.db2.gz FRLVWNWMLIYRRJ-CQSZACIVSA-N 1 2 433.600 0.145 20 0 ICADLO Cn1cc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCC(C)(C)O)cn1 ZINC001554333976 1072550942 /nfs/dbraw/zinc/55/09/42/1072550942.db2.gz XIYJKJWWXRSRSA-UHFFFAOYSA-N 1 2 430.557 0.584 20 0 ICADLO CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC001554360483 1072565785 /nfs/dbraw/zinc/56/57/85/1072565785.db2.gz YETFWUDTAIBZQS-UHFFFAOYSA-N 1 2 442.524 0.315 20 0 ICADLO CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC001554360483 1072565770 /nfs/dbraw/zinc/56/57/70/1072565770.db2.gz YETFWUDTAIBZQS-UHFFFAOYSA-N 1 2 442.524 0.315 20 0 ICADLO CNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001554372638 1072573120 /nfs/dbraw/zinc/57/31/20/1072573120.db2.gz QYBGZRDAYQYNCP-HNNXBMFYSA-N 1 2 442.568 0.835 20 0 ICADLO CNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001554372639 1072572940 /nfs/dbraw/zinc/57/29/40/1072572940.db2.gz QYBGZRDAYQYNCP-OAHLLOKOSA-N 1 2 442.568 0.835 20 0 ICADLO CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001554372834 1072573652 /nfs/dbraw/zinc/57/36/52/1072573652.db2.gz UVAUECQRGALPMV-UHFFFAOYSA-N 1 2 438.540 0.876 20 0 ICADLO CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC[NH+]1CCOCC1 ZINC001554373350 1072573711 /nfs/dbraw/zinc/57/37/11/1072573711.db2.gz HINRHZPMRKMHAR-UHFFFAOYSA-N 1 2 447.540 0.546 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001554397065 1072583804 /nfs/dbraw/zinc/58/38/04/1072583804.db2.gz RKVIGXRCRGDBIV-JOCHJYFZSA-N 1 2 447.584 0.587 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001554397065 1072583798 /nfs/dbraw/zinc/58/37/98/1072583798.db2.gz RKVIGXRCRGDBIV-JOCHJYFZSA-N 1 2 447.584 0.587 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001554397066 1072583863 /nfs/dbraw/zinc/58/38/63/1072583863.db2.gz RKVIGXRCRGDBIV-QFIPXVFZSA-N 1 2 447.584 0.587 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001554397066 1072583856 /nfs/dbraw/zinc/58/38/56/1072583856.db2.gz RKVIGXRCRGDBIV-QFIPXVFZSA-N 1 2 447.584 0.587 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001554402992 1072586632 /nfs/dbraw/zinc/58/66/32/1072586632.db2.gz OCCYVKZENHEQPF-JOCHJYFZSA-N 1 2 443.552 0.973 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001554402997 1072586563 /nfs/dbraw/zinc/58/65/63/1072586563.db2.gz OCCYVKZENHEQPF-QFIPXVFZSA-N 1 2 443.552 0.973 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c[nH+]ccc2OC)C1 ZINC001554404891 1072587720 /nfs/dbraw/zinc/58/77/20/1072587720.db2.gz JXPPMMPPODSZBJ-JLTOFOAXSA-N 1 2 448.549 0.595 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c[nH+]ccc2OC)C1 ZINC001554404892 1072587823 /nfs/dbraw/zinc/58/78/23/1072587823.db2.gz JXPPMMPPODSZBJ-VBKZILBWSA-N 1 2 448.549 0.595 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c[nH+]ccc2OC)C1 ZINC001554404893 1072587967 /nfs/dbraw/zinc/58/79/67/1072587967.db2.gz JXPPMMPPODSZBJ-VLIAUNLRSA-N 1 2 448.549 0.595 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c[nH+]ccc2OC)C1 ZINC001554404894 1072588023 /nfs/dbraw/zinc/58/80/23/1072588023.db2.gz JXPPMMPPODSZBJ-XOBRGWDASA-N 1 2 448.549 0.595 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001554409656 1072590370 /nfs/dbraw/zinc/59/03/70/1072590370.db2.gz PTLGRZXMOBLTJJ-HTAPYJJXSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001554409656 1072590356 /nfs/dbraw/zinc/59/03/56/1072590356.db2.gz PTLGRZXMOBLTJJ-HTAPYJJXSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001554409657 1072590686 /nfs/dbraw/zinc/59/06/86/1072590686.db2.gz PTLGRZXMOBLTJJ-JTSKRJEESA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001554409657 1072590671 /nfs/dbraw/zinc/59/06/71/1072590671.db2.gz PTLGRZXMOBLTJJ-JTSKRJEESA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001554409659 1072590547 /nfs/dbraw/zinc/59/05/47/1072590547.db2.gz PTLGRZXMOBLTJJ-VGOFRKELSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001554409659 1072590538 /nfs/dbraw/zinc/59/05/38/1072590538.db2.gz PTLGRZXMOBLTJJ-VGOFRKELSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001554409661 1072590577 /nfs/dbraw/zinc/59/05/77/1072590577.db2.gz PTLGRZXMOBLTJJ-VGSWGCGISA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001554409661 1072590564 /nfs/dbraw/zinc/59/05/64/1072590564.db2.gz PTLGRZXMOBLTJJ-VGSWGCGISA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001554418800 1072593767 /nfs/dbraw/zinc/59/37/67/1072593767.db2.gz QZICLMZLIFNUMC-MSOLQXFVSA-N 1 2 449.600 0.736 20 0 ICADLO CNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001554418801 1072593913 /nfs/dbraw/zinc/59/39/13/1072593913.db2.gz QZICLMZLIFNUMC-QZTJIDSGSA-N 1 2 449.600 0.736 20 0 ICADLO CNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001554418802 1072593815 /nfs/dbraw/zinc/59/38/15/1072593815.db2.gz QZICLMZLIFNUMC-ROUUACIJSA-N 1 2 449.600 0.736 20 0 ICADLO CNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001554418803 1072593694 /nfs/dbraw/zinc/59/36/94/1072593694.db2.gz QZICLMZLIFNUMC-ZWKOTPCHSA-N 1 2 449.600 0.736 20 0 ICADLO CNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001554419064 1072593613 /nfs/dbraw/zinc/59/36/13/1072593613.db2.gz UYCKTFKRNXVSOA-INIZCTEOSA-N 1 2 435.573 0.490 20 0 ICADLO CNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001554419065 1072593862 /nfs/dbraw/zinc/59/38/62/1072593862.db2.gz UYCKTFKRNXVSOA-MRXNPFEDSA-N 1 2 435.573 0.490 20 0 ICADLO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001554431572 1072600290 /nfs/dbraw/zinc/60/02/90/1072600290.db2.gz ZCJXYTHZRMDNEK-MSOLQXFVSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001554431573 1072600106 /nfs/dbraw/zinc/60/01/06/1072600106.db2.gz ZCJXYTHZRMDNEK-QZTJIDSGSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001554431574 1072600012 /nfs/dbraw/zinc/60/00/12/1072600012.db2.gz ZCJXYTHZRMDNEK-ROUUACIJSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001554431576 1072600210 /nfs/dbraw/zinc/60/02/10/1072600210.db2.gz ZCJXYTHZRMDNEK-ZWKOTPCHSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001554432358 1072600550 /nfs/dbraw/zinc/60/05/50/1072600550.db2.gz JIHFVKBUJSYDHJ-UHFFFAOYSA-N 1 2 447.584 0.587 20 0 ICADLO CNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001554432358 1072600531 /nfs/dbraw/zinc/60/05/31/1072600531.db2.gz JIHFVKBUJSYDHJ-UHFFFAOYSA-N 1 2 447.584 0.587 20 0 ICADLO CNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001554438738 1072605222 /nfs/dbraw/zinc/60/52/22/1072605222.db2.gz XVTWJKPUKOBZPL-INIZCTEOSA-N 1 2 433.557 0.084 20 0 ICADLO CNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001554438739 1072605359 /nfs/dbraw/zinc/60/53/59/1072605359.db2.gz XVTWJKPUKOBZPL-MRXNPFEDSA-N 1 2 433.557 0.084 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001554441385 1072607661 /nfs/dbraw/zinc/60/76/61/1072607661.db2.gz CYQNYAHZSOWYNW-DOTOQJQBSA-N 1 2 447.540 0.463 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001554441386 1072607579 /nfs/dbraw/zinc/60/75/79/1072607579.db2.gz CYQNYAHZSOWYNW-NVXWUHKLSA-N 1 2 447.540 0.463 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001554441387 1072607671 /nfs/dbraw/zinc/60/76/71/1072607671.db2.gz CYQNYAHZSOWYNW-RDJZCZTQSA-N 1 2 447.540 0.463 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001554441388 1072607604 /nfs/dbraw/zinc/60/76/04/1072607604.db2.gz CYQNYAHZSOWYNW-WBVHZDCISA-N 1 2 447.540 0.463 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCn3cc(C)[nH+]c32)CCO1 ZINC001554443325 1072609458 /nfs/dbraw/zinc/60/94/58/1072609458.db2.gz YXTKTHRAMWGIKI-CVEARBPZSA-N 1 2 444.540 0.450 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCn3cc(C)[nH+]c32)CCO1 ZINC001554443326 1072609401 /nfs/dbraw/zinc/60/94/01/1072609401.db2.gz YXTKTHRAMWGIKI-HOTGVXAUSA-N 1 2 444.540 0.450 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCn3cc(C)[nH+]c32)CCO1 ZINC001554443327 1072609355 /nfs/dbraw/zinc/60/93/55/1072609355.db2.gz YXTKTHRAMWGIKI-HZPDHXFCSA-N 1 2 444.540 0.450 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCn3cc(C)[nH+]c32)CCO1 ZINC001554443328 1072609493 /nfs/dbraw/zinc/60/94/93/1072609493.db2.gz YXTKTHRAMWGIKI-JKSUJKDBSA-N 1 2 444.540 0.450 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)OCCOC)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001554444934 1072611224 /nfs/dbraw/zinc/61/12/24/1072611224.db2.gz RULURBXKJYJZRZ-PBHICJAKSA-N 1 2 434.497 0.405 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)OCCOC)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001554444936 1072611840 /nfs/dbraw/zinc/61/18/40/1072611840.db2.gz RULURBXKJYJZRZ-RHSMWYFYSA-N 1 2 434.497 0.405 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc([C@H](C)OCCOC)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001554444937 1072611764 /nfs/dbraw/zinc/61/17/64/1072611764.db2.gz RULURBXKJYJZRZ-WMLDXEAASA-N 1 2 434.497 0.405 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001554444939 1072611788 /nfs/dbraw/zinc/61/17/88/1072611788.db2.gz RULURBXKJYJZRZ-YOEHRIQHSA-N 1 2 434.497 0.405 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001554450099 1072621410 /nfs/dbraw/zinc/62/14/10/1072621410.db2.gz NFTZJZPIDPRGOB-GOSISDBHSA-N 1 2 436.520 0.724 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001554450100 1072621331 /nfs/dbraw/zinc/62/13/31/1072621331.db2.gz NFTZJZPIDPRGOB-SFHVURJKSA-N 1 2 436.520 0.724 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001554450163 1072621383 /nfs/dbraw/zinc/62/13/83/1072621383.db2.gz OIUUHTRVALAGDZ-DOTOQJQBSA-N 1 2 434.566 0.602 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001554450163 1072621377 /nfs/dbraw/zinc/62/13/77/1072621377.db2.gz OIUUHTRVALAGDZ-DOTOQJQBSA-N 1 2 434.566 0.602 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001554450164 1072621345 /nfs/dbraw/zinc/62/13/45/1072621345.db2.gz OIUUHTRVALAGDZ-NVXWUHKLSA-N 1 2 434.566 0.602 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001554450164 1072621339 /nfs/dbraw/zinc/62/13/39/1072621339.db2.gz OIUUHTRVALAGDZ-NVXWUHKLSA-N 1 2 434.566 0.602 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001554450166 1072621153 /nfs/dbraw/zinc/62/11/53/1072621153.db2.gz OIUUHTRVALAGDZ-RDJZCZTQSA-N 1 2 434.566 0.602 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001554450166 1072621145 /nfs/dbraw/zinc/62/11/45/1072621145.db2.gz OIUUHTRVALAGDZ-RDJZCZTQSA-N 1 2 434.566 0.602 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001554450167 1072621285 /nfs/dbraw/zinc/62/12/85/1072621285.db2.gz OIUUHTRVALAGDZ-WBVHZDCISA-N 1 2 434.566 0.602 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001554450167 1072621275 /nfs/dbraw/zinc/62/12/75/1072621275.db2.gz OIUUHTRVALAGDZ-WBVHZDCISA-N 1 2 434.566 0.602 20 0 ICADLO CNC(=O)CCCN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001554460684 1072630395 /nfs/dbraw/zinc/63/03/95/1072630395.db2.gz PJHLFALDSWYFIE-UHFFFAOYSA-N 1 2 435.573 0.587 20 0 ICADLO CNC(=O)CCCN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001554460684 1072630388 /nfs/dbraw/zinc/63/03/88/1072630388.db2.gz PJHLFALDSWYFIE-UHFFFAOYSA-N 1 2 435.573 0.587 20 0 ICADLO CNC(=O)CCCN(C)c1nnc([C@@H]2CCCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001554464615 1072631449 /nfs/dbraw/zinc/63/14/49/1072631449.db2.gz XEVSFOXWOPASSG-GOSISDBHSA-N 1 2 435.573 0.299 20 0 ICADLO CNC(=O)CCCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)[NH+]1CCOCC1 ZINC001554464619 1072631475 /nfs/dbraw/zinc/63/14/75/1072631475.db2.gz GETPWZUNDLTTBR-HNNXBMFYSA-N 1 2 447.540 0.689 20 0 ICADLO CNC(=O)CCCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001554464620 1072631384 /nfs/dbraw/zinc/63/13/84/1072631384.db2.gz GETPWZUNDLTTBR-OAHLLOKOSA-N 1 2 447.540 0.689 20 0 ICADLO CNC(=O)CCCN(C)c1nnc([C@H]2CCCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001554464754 1072631374 /nfs/dbraw/zinc/63/13/74/1072631374.db2.gz XEVSFOXWOPASSG-SFHVURJKSA-N 1 2 435.573 0.299 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001554473995 1072635621 /nfs/dbraw/zinc/63/56/21/1072635621.db2.gz HVLCEAMWCRILAZ-HNNXBMFYSA-N 1 2 435.554 0.650 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001554473996 1072635600 /nfs/dbraw/zinc/63/56/00/1072635600.db2.gz HVLCEAMWCRILAZ-OAHLLOKOSA-N 1 2 435.554 0.650 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001554475224 1072636679 /nfs/dbraw/zinc/63/66/79/1072636679.db2.gz SYZBMBYHZFGQOZ-CVEARBPZSA-N 1 2 443.556 0.855 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001554475224 1072636675 /nfs/dbraw/zinc/63/66/75/1072636675.db2.gz SYZBMBYHZFGQOZ-CVEARBPZSA-N 1 2 443.556 0.855 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001554475225 1072636787 /nfs/dbraw/zinc/63/67/87/1072636787.db2.gz SYZBMBYHZFGQOZ-HOTGVXAUSA-N 1 2 443.556 0.855 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001554475225 1072636780 /nfs/dbraw/zinc/63/67/80/1072636780.db2.gz SYZBMBYHZFGQOZ-HOTGVXAUSA-N 1 2 443.556 0.855 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001554475226 1072636697 /nfs/dbraw/zinc/63/66/97/1072636697.db2.gz SYZBMBYHZFGQOZ-HZPDHXFCSA-N 1 2 443.556 0.855 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001554475226 1072636694 /nfs/dbraw/zinc/63/66/94/1072636694.db2.gz SYZBMBYHZFGQOZ-HZPDHXFCSA-N 1 2 443.556 0.855 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001554475227 1072636608 /nfs/dbraw/zinc/63/66/08/1072636608.db2.gz SYZBMBYHZFGQOZ-JKSUJKDBSA-N 1 2 443.556 0.855 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001554475227 1072636600 /nfs/dbraw/zinc/63/66/00/1072636600.db2.gz SYZBMBYHZFGQOZ-JKSUJKDBSA-N 1 2 443.556 0.855 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[N@H+]1CCOCC1(C)C ZINC001554477708 1072638874 /nfs/dbraw/zinc/63/88/74/1072638874.db2.gz VUZNKGREWRNEDS-WMZOPIPTSA-N 1 2 438.573 0.685 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[N@@H+]1CCOCC1(C)C ZINC001554477708 1072638866 /nfs/dbraw/zinc/63/88/66/1072638866.db2.gz VUZNKGREWRNEDS-WMZOPIPTSA-N 1 2 438.573 0.685 20 0 ICADLO CNC(=O)CCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001554478430 1072639987 /nfs/dbraw/zinc/63/99/87/1072639987.db2.gz QXGIEKBXXPLSTH-UHFFFAOYSA-N 1 2 443.556 0.491 20 0 ICADLO CNC(=O)CCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001554478430 1072639976 /nfs/dbraw/zinc/63/99/76/1072639976.db2.gz QXGIEKBXXPLSTH-UHFFFAOYSA-N 1 2 443.556 0.491 20 0 ICADLO CNC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001554481152 1072641179 /nfs/dbraw/zinc/64/11/79/1072641179.db2.gz HELSNGPOZGEVBU-UHFFFAOYSA-N 1 2 429.525 0.727 20 0 ICADLO CNC(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001554483589 1072642330 /nfs/dbraw/zinc/64/23/30/1072642330.db2.gz NMIBKBWIECPKNL-UHFFFAOYSA-N 1 2 426.525 0.221 20 0 ICADLO CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001554483965 1072642386 /nfs/dbraw/zinc/64/23/86/1072642386.db2.gz XKGFPSVRQMSKCJ-INIZCTEOSA-N 1 2 428.541 0.542 20 0 ICADLO CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001554483966 1072642311 /nfs/dbraw/zinc/64/23/11/1072642311.db2.gz XKGFPSVRQMSKCJ-MRXNPFEDSA-N 1 2 428.541 0.542 20 0 ICADLO CNC(=O)CCn1c(CC(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001554486284 1072644069 /nfs/dbraw/zinc/64/40/69/1072644069.db2.gz MBYFFZDRQSHGHQ-UHFFFAOYSA-N 1 2 426.529 0.616 20 0 ICADLO CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001554487948 1072645759 /nfs/dbraw/zinc/64/57/59/1072645759.db2.gz VKBPIULJFOVBRL-HNNXBMFYSA-N 1 2 433.538 0.038 20 0 ICADLO CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001554487950 1072645809 /nfs/dbraw/zinc/64/58/09/1072645809.db2.gz VKBPIULJFOVBRL-OAHLLOKOSA-N 1 2 433.538 0.038 20 0 ICADLO CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001554488505 1072646731 /nfs/dbraw/zinc/64/67/31/1072646731.db2.gz HKIXBWFMEOZCGU-UHFFFAOYSA-N 1 2 426.525 0.560 20 0 ICADLO CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001554489910 1072647343 /nfs/dbraw/zinc/64/73/43/1072647343.db2.gz TZUCBOCGBAASRM-UHFFFAOYSA-N 1 2 446.581 0.624 20 0 ICADLO CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001554490328 1072647910 /nfs/dbraw/zinc/64/79/10/1072647910.db2.gz FWSSLCRIXAHZTD-LPHOPBHVSA-N 1 2 444.540 0.563 20 0 ICADLO CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001554491646 1072649181 /nfs/dbraw/zinc/64/91/81/1072649181.db2.gz XNPQAGPVRKFFPU-UHFFFAOYSA-N 1 2 428.497 0.427 20 0 ICADLO CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001554491749 1072648999 /nfs/dbraw/zinc/64/89/99/1072648999.db2.gz ZMJKKBYTACDJNR-RBUKOAKNSA-N 1 2 449.600 0.497 20 0 ICADLO CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001554491750 1072649060 /nfs/dbraw/zinc/64/90/60/1072649060.db2.gz ZMJKKBYTACDJNR-RTBURBONSA-N 1 2 449.600 0.497 20 0 ICADLO CNC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)CC1 ZINC001554494829 1072651677 /nfs/dbraw/zinc/65/16/77/1072651677.db2.gz LIRDZNCELSFJPD-HNNXBMFYSA-N 1 2 427.513 0.588 20 0 ICADLO CNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)CC1 ZINC001554494832 1072651832 /nfs/dbraw/zinc/65/18/32/1072651832.db2.gz LIRDZNCELSFJPD-OAHLLOKOSA-N 1 2 427.513 0.588 20 0 ICADLO CNC(=O)N1CCN(c2nnc(C3CCCC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001554496441 1072652879 /nfs/dbraw/zinc/65/28/79/1072652879.db2.gz PPTWALODXSRVNA-UHFFFAOYSA-N 1 2 432.573 0.561 20 0 ICADLO CNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001554497562 1072653915 /nfs/dbraw/zinc/65/39/15/1072653915.db2.gz CDWMPLLVKBVKMK-KRWDZBQOSA-N 1 2 428.541 0.446 20 0 ICADLO CNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001554497562 1072653911 /nfs/dbraw/zinc/65/39/11/1072653911.db2.gz CDWMPLLVKBVKMK-KRWDZBQOSA-N 1 2 428.541 0.446 20 0 ICADLO CNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001554497563 1072653828 /nfs/dbraw/zinc/65/38/28/1072653828.db2.gz CDWMPLLVKBVKMK-QGZVFWFLSA-N 1 2 428.541 0.446 20 0 ICADLO CNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001554497563 1072653826 /nfs/dbraw/zinc/65/38/26/1072653826.db2.gz CDWMPLLVKBVKMK-QGZVFWFLSA-N 1 2 428.541 0.446 20 0 ICADLO CNC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001554498697 1072654979 /nfs/dbraw/zinc/65/49/79/1072654979.db2.gz SWUIHSFXIJHNOG-UHFFFAOYSA-N 1 2 446.600 0.636 20 0 ICADLO CNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001554498807 1072654876 /nfs/dbraw/zinc/65/48/76/1072654876.db2.gz XNPZDCWGHONGDO-KRWDZBQOSA-N 1 2 428.541 0.446 20 0 ICADLO CNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001554498808 1072654943 /nfs/dbraw/zinc/65/49/43/1072654943.db2.gz XNPZDCWGHONGDO-QGZVFWFLSA-N 1 2 428.541 0.446 20 0 ICADLO CNc1cc(N2CCC[C@@H]2Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C2CC2)[nH+]cn1 ZINC001554502148 1072657806 /nfs/dbraw/zinc/65/78/06/1072657806.db2.gz SQELUOSLUFYMMM-DZGCQCFKSA-N 1 2 449.585 0.988 20 0 ICADLO CNc1cc(N2CCC[C@@H]2Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C2CC2)nc[nH+]1 ZINC001554502148 1072657799 /nfs/dbraw/zinc/65/77/99/1072657799.db2.gz SQELUOSLUFYMMM-DZGCQCFKSA-N 1 2 449.585 0.988 20 0 ICADLO CNc1cc(N2CCC[C@H]2Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C2CC2)[nH+]cn1 ZINC001554502149 1072657885 /nfs/dbraw/zinc/65/78/85/1072657885.db2.gz SQELUOSLUFYMMM-HIFRSBDPSA-N 1 2 449.585 0.988 20 0 ICADLO CNc1cc(N2CCC[C@H]2Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C2CC2)nc[nH+]1 ZINC001554502149 1072657880 /nfs/dbraw/zinc/65/78/80/1072657880.db2.gz SQELUOSLUFYMMM-HIFRSBDPSA-N 1 2 449.585 0.988 20 0 ICADLO CNc1cc(N2CCC[C@@H]2Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C2CC2)[nH+]cn1 ZINC001554502150 1072657902 /nfs/dbraw/zinc/65/79/02/1072657902.db2.gz SQELUOSLUFYMMM-UKRRQHHQSA-N 1 2 449.585 0.988 20 0 ICADLO CNc1cc(N2CCC[C@@H]2Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C2CC2)nc[nH+]1 ZINC001554502150 1072657900 /nfs/dbraw/zinc/65/79/00/1072657900.db2.gz SQELUOSLUFYMMM-UKRRQHHQSA-N 1 2 449.585 0.988 20 0 ICADLO CNc1cc(N2CCC[C@H]2Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C2CC2)[nH+]cn1 ZINC001554502151 1072657776 /nfs/dbraw/zinc/65/77/76/1072657776.db2.gz SQELUOSLUFYMMM-ZFWWWQNUSA-N 1 2 449.585 0.988 20 0 ICADLO CNc1cc(N2CCC[C@H]2Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C2CC2)nc[nH+]1 ZINC001554502151 1072657769 /nfs/dbraw/zinc/65/77/69/1072657769.db2.gz SQELUOSLUFYMMM-ZFWWWQNUSA-N 1 2 449.585 0.988 20 0 ICADLO CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001554505919 1072662228 /nfs/dbraw/zinc/66/22/28/1072662228.db2.gz BHCWMMDVPRPSAE-UHFFFAOYSA-N 1 2 446.537 0.508 20 0 ICADLO CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001554505956 1072662260 /nfs/dbraw/zinc/66/22/60/1072662260.db2.gz CLUJTXPDSSLGLG-UHFFFAOYSA-N 1 2 428.522 0.611 20 0 ICADLO CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001554509967 1072669620 /nfs/dbraw/zinc/66/96/20/1072669620.db2.gz SVCGEZPXKTVGRA-UHFFFAOYSA-N 1 2 448.597 0.985 20 0 ICADLO CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001554510042 1072669521 /nfs/dbraw/zinc/66/95/21/1072669521.db2.gz WBZISQLFSFIGSZ-UHFFFAOYSA-N 1 2 439.611 0.867 20 0 ICADLO COC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001554513281 1072671701 /nfs/dbraw/zinc/67/17/01/1072671701.db2.gz YEJBGFKBUHYZML-INIZCTEOSA-N 1 2 436.557 0.917 20 0 ICADLO COC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001554513281 1072671697 /nfs/dbraw/zinc/67/16/97/1072671697.db2.gz YEJBGFKBUHYZML-INIZCTEOSA-N 1 2 436.557 0.917 20 0 ICADLO COC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001554513282 1072671821 /nfs/dbraw/zinc/67/18/21/1072671821.db2.gz YEJBGFKBUHYZML-MRXNPFEDSA-N 1 2 436.557 0.917 20 0 ICADLO COC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001554513282 1072671819 /nfs/dbraw/zinc/67/18/19/1072671819.db2.gz YEJBGFKBUHYZML-MRXNPFEDSA-N 1 2 436.557 0.917 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001554535144 1072676600 /nfs/dbraw/zinc/67/66/00/1072676600.db2.gz LMBBYBJBWKQWAT-MSOLQXFVSA-N 1 2 434.541 0.336 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001554535147 1072676531 /nfs/dbraw/zinc/67/65/31/1072676531.db2.gz LMBBYBJBWKQWAT-QZTJIDSGSA-N 1 2 434.541 0.336 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001554535151 1072676482 /nfs/dbraw/zinc/67/64/82/1072676482.db2.gz LMBBYBJBWKQWAT-ROUUACIJSA-N 1 2 434.541 0.336 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001554535155 1072676446 /nfs/dbraw/zinc/67/64/46/1072676446.db2.gz LMBBYBJBWKQWAT-ZWKOTPCHSA-N 1 2 434.541 0.336 20 0 ICADLO COC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001554538682 1072678144 /nfs/dbraw/zinc/67/81/44/1072678144.db2.gz ROKMMCYXAWGMAJ-INIZCTEOSA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001554538683 1072678253 /nfs/dbraw/zinc/67/82/53/1072678253.db2.gz ROKMMCYXAWGMAJ-MRXNPFEDSA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1O ZINC001554543989 1072679453 /nfs/dbraw/zinc/67/94/53/1072679453.db2.gz DLRXHKLLXQFPKA-IAGOWNOFSA-N 1 2 436.557 0.100 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCNc2cccc[nH+]2)C[C@H]1O ZINC001554544095 1072679290 /nfs/dbraw/zinc/67/92/90/1072679290.db2.gz FXJGWCVVTJQEAX-HZPDHXFCSA-N 1 2 445.524 0.674 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1O ZINC001554546044 1072680510 /nfs/dbraw/zinc/68/05/10/1072680510.db2.gz RGWGYDMOQQCOGB-DJIMGWMZSA-N 1 2 433.509 0.927 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1O ZINC001554546045 1072680538 /nfs/dbraw/zinc/68/05/38/1072680538.db2.gz RGWGYDMOQQCOGB-USXIJHARSA-N 1 2 433.509 0.927 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)C[C@H]1O ZINC001554547592 1072682752 /nfs/dbraw/zinc/68/27/52/1072682752.db2.gz SAMHIQMHBZHKBM-BZUAXINKSA-N 1 2 443.508 0.487 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)C[C@H]1O ZINC001554547594 1072682805 /nfs/dbraw/zinc/68/28/05/1072682805.db2.gz SAMHIQMHBZHKBM-OWCLPIDISA-N 1 2 443.508 0.487 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c[nH+]ccc2OC)C[C@H]1O ZINC001554547815 1072682798 /nfs/dbraw/zinc/68/27/98/1072682798.db2.gz VGDAXBZCNYDNOZ-BPLDGKMQSA-N 1 2 430.465 0.041 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c[nH+]ccc2OC)C[C@H]1O ZINC001554547817 1072682731 /nfs/dbraw/zinc/68/27/31/1072682731.db2.gz VGDAXBZCNYDNOZ-VHDGCEQUSA-N 1 2 430.465 0.041 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1O ZINC001554547916 1072683100 /nfs/dbraw/zinc/68/31/00/1072683100.db2.gz XHKITYRGQKOFCA-BRSBDYLESA-N 1 2 437.541 0.601 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1O ZINC001554547917 1072683185 /nfs/dbraw/zinc/68/31/85/1072683185.db2.gz XHKITYRGQKOFCA-BSDSXHPESA-N 1 2 437.541 0.601 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1O ZINC001554547918 1072683144 /nfs/dbraw/zinc/68/31/44/1072683144.db2.gz XHKITYRGQKOFCA-MLHJIOFPSA-N 1 2 437.541 0.601 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1O ZINC001554547919 1072683199 /nfs/dbraw/zinc/68/31/99/1072683199.db2.gz XHKITYRGQKOFCA-TVFCKZIOSA-N 1 2 437.541 0.601 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1O ZINC001554549585 1072684143 /nfs/dbraw/zinc/68/41/43/1072684143.db2.gz XUAXPNWREXTHAL-BRWVUGGUSA-N 1 2 437.541 0.601 20 0 ICADLO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1O ZINC001554549585 1072684142 /nfs/dbraw/zinc/68/41/42/1072684142.db2.gz XUAXPNWREXTHAL-BRWVUGGUSA-N 1 2 437.541 0.601 20 0 ICADLO COC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001554553573 1072685438 /nfs/dbraw/zinc/68/54/38/1072685438.db2.gz OVAPDNUPFYHBBM-UHFFFAOYSA-N 1 2 437.545 0.416 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001554560868 1072687426 /nfs/dbraw/zinc/68/74/26/1072687426.db2.gz FCSDIEWQCGDKIY-ARFHVFGLSA-N 1 2 435.529 0.227 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001554560868 1072687421 /nfs/dbraw/zinc/68/74/21/1072687421.db2.gz FCSDIEWQCGDKIY-ARFHVFGLSA-N 1 2 435.529 0.227 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001554560871 1072687448 /nfs/dbraw/zinc/68/74/48/1072687448.db2.gz FCSDIEWQCGDKIY-HRCADAONSA-N 1 2 435.529 0.227 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001554560871 1072687444 /nfs/dbraw/zinc/68/74/44/1072687444.db2.gz FCSDIEWQCGDKIY-HRCADAONSA-N 1 2 435.529 0.227 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001554560873 1072687467 /nfs/dbraw/zinc/68/74/67/1072687467.db2.gz FCSDIEWQCGDKIY-JYJNAYRXSA-N 1 2 435.529 0.227 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001554560873 1072687460 /nfs/dbraw/zinc/68/74/60/1072687460.db2.gz FCSDIEWQCGDKIY-JYJNAYRXSA-N 1 2 435.529 0.227 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001554560875 1072687347 /nfs/dbraw/zinc/68/73/47/1072687347.db2.gz FCSDIEWQCGDKIY-XHSDSOJGSA-N 1 2 435.529 0.227 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001554560875 1072687344 /nfs/dbraw/zinc/68/73/44/1072687344.db2.gz FCSDIEWQCGDKIY-XHSDSOJGSA-N 1 2 435.529 0.227 20 0 ICADLO COC(=O)N1CCN(c2nnc(CC3CC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001554564385 1072688877 /nfs/dbraw/zinc/68/88/77/1072688877.db2.gz PVDFICVHQYWPEY-INIZCTEOSA-N 1 2 433.557 0.672 20 0 ICADLO CO[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001554601549 1072694092 /nfs/dbraw/zinc/69/40/92/1072694092.db2.gz JUAWCZQCHFVIBZ-BRWVUGGUSA-N 1 2 427.571 0.374 20 0 ICADLO CO[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001554601551 1072694026 /nfs/dbraw/zinc/69/40/26/1072694026.db2.gz JUAWCZQCHFVIBZ-IKGGRYGDSA-N 1 2 427.571 0.374 20 0 ICADLO CO[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001554601553 1072694069 /nfs/dbraw/zinc/69/40/69/1072694069.db2.gz JUAWCZQCHFVIBZ-IXDOHACOSA-N 1 2 427.571 0.374 20 0 ICADLO CO[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001554601555 1072693952 /nfs/dbraw/zinc/69/39/52/1072693952.db2.gz JUAWCZQCHFVIBZ-ZACQAIPSSA-N 1 2 427.571 0.374 20 0 ICADLO CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)CCOC1 ZINC001554712064 1072703997 /nfs/dbraw/zinc/70/39/97/1072703997.db2.gz UTDIBGGDGFUVEH-NRFANRHFSA-N 1 2 444.540 0.647 20 0 ICADLO CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)CCOC1 ZINC001554712069 1072703962 /nfs/dbraw/zinc/70/39/62/1072703962.db2.gz UTDIBGGDGFUVEH-OAQYLSRUSA-N 1 2 444.540 0.647 20 0 ICADLO COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)CCCC1 ZINC001554712339 1072704483 /nfs/dbraw/zinc/70/44/83/1072704483.db2.gz NMCIMNDVWDIXAO-INIZCTEOSA-N 1 2 444.602 0.616 20 0 ICADLO COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)CCCC1 ZINC001554712340 1072704378 /nfs/dbraw/zinc/70/43/78/1072704378.db2.gz NMCIMNDVWDIXAO-MRXNPFEDSA-N 1 2 444.602 0.616 20 0 ICADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C)n2CCCNS(C)(=O)=O)CC1 ZINC001554958101 1072715900 /nfs/dbraw/zinc/71/59/00/1072715900.db2.gz KUZJCVJGOPAKHN-UHFFFAOYSA-N 1 2 440.545 0.996 20 0 ICADLO COc1ccccc1Cc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCC(=O)N1 ZINC001555066701 1072721612 /nfs/dbraw/zinc/72/16/12/1072721612.db2.gz RRZBOJOZPNSGOT-GOSISDBHSA-N 1 2 428.537 0.925 20 0 ICADLO COc1ccccc1Cc1nnc(N2CCNC(=O)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001555077989 1072722055 /nfs/dbraw/zinc/72/20/55/1072722055.db2.gz IFIBPVYSKHRSOC-KRWDZBQOSA-N 1 2 428.537 0.925 20 0 ICADLO COc1ccccc1Cc1nnc(N2CCNC(=O)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001555077991 1072722010 /nfs/dbraw/zinc/72/20/10/1072722010.db2.gz IFIBPVYSKHRSOC-QGZVFWFLSA-N 1 2 428.537 0.925 20 0 ICADLO COc1ccccc1OCc1nnc(N2CCOCC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555108820 1072723751 /nfs/dbraw/zinc/72/37/51/1072723751.db2.gz XWZGVRJAPPWYDQ-UHFFFAOYSA-N 1 2 444.536 0.866 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001555120431 1072724636 /nfs/dbraw/zinc/72/46/36/1072724636.db2.gz BYIRRQKLXJYZQY-VBNZEHGJSA-N 1 2 440.526 0.190 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001555120432 1072724782 /nfs/dbraw/zinc/72/47/82/1072724782.db2.gz BYIRRQKLXJYZQY-WQVCFCJDSA-N 1 2 440.526 0.190 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001555120511 1072724834 /nfs/dbraw/zinc/72/48/34/1072724834.db2.gz LAOAXYDOQNXUNB-HNNXBMFYSA-N 1 2 428.497 0.424 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001555120512 1072724889 /nfs/dbraw/zinc/72/48/89/1072724889.db2.gz LAOAXYDOQNXUNB-OAHLLOKOSA-N 1 2 428.497 0.424 20 0 ICADLO COc1cc[nH+]cc1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001555121518 1072724877 /nfs/dbraw/zinc/72/48/77/1072724877.db2.gz HRAYUKILSCBPEH-UHFFFAOYSA-N 1 2 438.536 0.946 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cnccn1 ZINC001555121566 1072724817 /nfs/dbraw/zinc/72/48/17/1072724817.db2.gz QHAOHTDICRXMLL-AWEZNQCLSA-N 1 2 446.537 0.809 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cnccn1 ZINC001555121567 1072724752 /nfs/dbraw/zinc/72/47/52/1072724752.db2.gz QHAOHTDICRXMLL-CQSZACIVSA-N 1 2 446.537 0.809 20 0 ICADLO COc1cc[nH+]cc1Cn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001555121862 1072724795 /nfs/dbraw/zinc/72/47/95/1072724795.db2.gz LZAHHKHUFSOTQF-UHFFFAOYSA-N 1 2 431.522 0.817 20 0 ICADLO COc1cc[nH+]cc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001555122081 1072724713 /nfs/dbraw/zinc/72/47/13/1072724713.db2.gz ORXFWQCYDIATLZ-AWEZNQCLSA-N 1 2 446.537 0.601 20 0 ICADLO COc1cc[nH+]cc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001555122370 1072724915 /nfs/dbraw/zinc/72/49/15/1072724915.db2.gz ZEBCZSIPOLNTOD-UHFFFAOYSA-N 1 2 426.481 0.601 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001555122864 1072724901 /nfs/dbraw/zinc/72/49/01/1072724901.db2.gz MUVNFUIQJTUHKK-UHFFFAOYSA-N 1 2 427.509 0.781 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001555123042 1072724847 /nfs/dbraw/zinc/72/48/47/1072724847.db2.gz RSCHPQPYQKSQJS-GJZGRUSLSA-N 1 2 436.538 0.704 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001555123043 1072724697 /nfs/dbraw/zinc/72/46/97/1072724697.db2.gz RSCHPQPYQKSQJS-LSDHHAIUSA-N 1 2 436.538 0.704 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 ZINC001555123465 1072724869 /nfs/dbraw/zinc/72/48/69/1072724869.db2.gz YYNHUNBLCDQKQS-HNNXBMFYSA-N 1 2 431.522 0.965 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 ZINC001555123467 1072724765 /nfs/dbraw/zinc/72/47/65/1072724765.db2.gz YYNHUNBLCDQKQS-OAHLLOKOSA-N 1 2 431.522 0.965 20 0 ICADLO COc1cc[nH+]cc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001555123651 1072724730 /nfs/dbraw/zinc/72/47/30/1072724730.db2.gz MDQZHXWMAQZFSD-INIZCTEOSA-N 1 2 448.549 0.866 20 0 ICADLO COc1cc[nH+]cc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001555123652 1072725337 /nfs/dbraw/zinc/72/53/37/1072725337.db2.gz MDQZHXWMAQZFSD-MRXNPFEDSA-N 1 2 448.549 0.866 20 0 ICADLO COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCCNc2cccc[nH+]2)CC1 ZINC001555196291 1072733697 /nfs/dbraw/zinc/73/36/97/1072733697.db2.gz WKOKHFORIGWNDI-UHFFFAOYSA-N 1 2 444.540 0.609 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001555202256 1072736472 /nfs/dbraw/zinc/73/64/72/1072736472.db2.gz IOLCDMKAOVVFLZ-MSOLQXFVSA-N 1 2 436.557 0.535 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001555202256 1072736466 /nfs/dbraw/zinc/73/64/66/1072736466.db2.gz IOLCDMKAOVVFLZ-MSOLQXFVSA-N 1 2 436.557 0.535 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001555202257 1072736335 /nfs/dbraw/zinc/73/63/35/1072736335.db2.gz IOLCDMKAOVVFLZ-QZTJIDSGSA-N 1 2 436.557 0.535 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001555202257 1072736326 /nfs/dbraw/zinc/73/63/26/1072736326.db2.gz IOLCDMKAOVVFLZ-QZTJIDSGSA-N 1 2 436.557 0.535 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001555202258 1072736411 /nfs/dbraw/zinc/73/64/11/1072736411.db2.gz IOLCDMKAOVVFLZ-ROUUACIJSA-N 1 2 436.557 0.535 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001555202258 1072736403 /nfs/dbraw/zinc/73/64/03/1072736403.db2.gz IOLCDMKAOVVFLZ-ROUUACIJSA-N 1 2 436.557 0.535 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001555202259 1072736250 /nfs/dbraw/zinc/73/62/50/1072736250.db2.gz IOLCDMKAOVVFLZ-ZWKOTPCHSA-N 1 2 436.557 0.535 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001555202259 1072736238 /nfs/dbraw/zinc/73/62/38/1072736238.db2.gz IOLCDMKAOVVFLZ-ZWKOTPCHSA-N 1 2 436.557 0.535 20 0 ICADLO COCC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001555202702 1072736821 /nfs/dbraw/zinc/73/68/21/1072736821.db2.gz BBGUSZGIDGILSX-GOSISDBHSA-N 1 2 443.552 0.280 20 0 ICADLO COCC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001555202703 1072736870 /nfs/dbraw/zinc/73/68/70/1072736870.db2.gz BBGUSZGIDGILSX-SFHVURJKSA-N 1 2 443.552 0.280 20 0 ICADLO COCC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001555202750 1072736785 /nfs/dbraw/zinc/73/67/85/1072736785.db2.gz DCDLEKBMWUVGBO-GOSISDBHSA-N 1 2 443.552 0.280 20 0 ICADLO COCC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001555202750 1072736776 /nfs/dbraw/zinc/73/67/76/1072736776.db2.gz DCDLEKBMWUVGBO-GOSISDBHSA-N 1 2 443.552 0.280 20 0 ICADLO COCC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001555202751 1072736860 /nfs/dbraw/zinc/73/68/60/1072736860.db2.gz DCDLEKBMWUVGBO-SFHVURJKSA-N 1 2 443.552 0.280 20 0 ICADLO COCC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001555202751 1072736856 /nfs/dbraw/zinc/73/68/56/1072736856.db2.gz DCDLEKBMWUVGBO-SFHVURJKSA-N 1 2 443.552 0.280 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001555203264 1072737772 /nfs/dbraw/zinc/73/77/72/1072737772.db2.gz STAPZARXIMTAPI-KRWDZBQOSA-N 1 2 429.525 0.586 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001555203265 1072737702 /nfs/dbraw/zinc/73/77/02/1072737702.db2.gz STAPZARXIMTAPI-QGZVFWFLSA-N 1 2 429.525 0.586 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001555203851 1072738686 /nfs/dbraw/zinc/73/86/86/1072738686.db2.gz WXHFKHVNMVKYAU-MSOLQXFVSA-N 1 2 436.557 0.535 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001555203852 1072738746 /nfs/dbraw/zinc/73/87/46/1072738746.db2.gz WXHFKHVNMVKYAU-QZTJIDSGSA-N 1 2 436.557 0.535 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001555203854 1072738844 /nfs/dbraw/zinc/73/88/44/1072738844.db2.gz WXHFKHVNMVKYAU-ROUUACIJSA-N 1 2 436.557 0.535 20 0 ICADLO COCC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001555203856 1072738701 /nfs/dbraw/zinc/73/87/01/1072738701.db2.gz WXHFKHVNMVKYAU-ZWKOTPCHSA-N 1 2 436.557 0.535 20 0 ICADLO COCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001555209275 1072743697 /nfs/dbraw/zinc/74/36/97/1072743697.db2.gz YSQRMEMHBWFZEU-DLBZAZTESA-N 1 2 436.557 0.234 20 0 ICADLO COCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001555209275 1072743685 /nfs/dbraw/zinc/74/36/85/1072743685.db2.gz YSQRMEMHBWFZEU-DLBZAZTESA-N 1 2 436.557 0.234 20 0 ICADLO COCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001555209276 1072743754 /nfs/dbraw/zinc/74/37/54/1072743754.db2.gz YSQRMEMHBWFZEU-IAGOWNOFSA-N 1 2 436.557 0.234 20 0 ICADLO COCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001555209276 1072743749 /nfs/dbraw/zinc/74/37/49/1072743749.db2.gz YSQRMEMHBWFZEU-IAGOWNOFSA-N 1 2 436.557 0.234 20 0 ICADLO COCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001555209277 1072743819 /nfs/dbraw/zinc/74/38/19/1072743819.db2.gz YSQRMEMHBWFZEU-IRXDYDNUSA-N 1 2 436.557 0.234 20 0 ICADLO COCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001555209277 1072743812 /nfs/dbraw/zinc/74/38/12/1072743812.db2.gz YSQRMEMHBWFZEU-IRXDYDNUSA-N 1 2 436.557 0.234 20 0 ICADLO COCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001555209278 1072743639 /nfs/dbraw/zinc/74/36/39/1072743639.db2.gz YSQRMEMHBWFZEU-SJORKVTESA-N 1 2 436.557 0.234 20 0 ICADLO COCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001555209278 1072743629 /nfs/dbraw/zinc/74/36/29/1072743629.db2.gz YSQRMEMHBWFZEU-SJORKVTESA-N 1 2 436.557 0.234 20 0 ICADLO COC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001555236051 1072745757 /nfs/dbraw/zinc/74/57/57/1072745757.db2.gz XUERTYUZSCMPBC-KRWDZBQOSA-N 1 2 430.557 0.706 20 0 ICADLO COC[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001555236052 1072745797 /nfs/dbraw/zinc/74/57/97/1072745797.db2.gz XUERTYUZSCMPBC-QGZVFWFLSA-N 1 2 430.557 0.706 20 0 ICADLO COC[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001555236915 1072745692 /nfs/dbraw/zinc/74/56/92/1072745692.db2.gz INAZGUOGNWLIJP-FGTMMUONSA-N 1 2 441.598 0.621 20 0 ICADLO COC[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001555236916 1072745644 /nfs/dbraw/zinc/74/56/44/1072745644.db2.gz INAZGUOGNWLIJP-KURKYZTESA-N 1 2 441.598 0.621 20 0 ICADLO COC[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001555236917 1072745723 /nfs/dbraw/zinc/74/57/23/1072745723.db2.gz INAZGUOGNWLIJP-KZNAEPCWSA-N 1 2 441.598 0.621 20 0 ICADLO COC[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001555236918 1072746244 /nfs/dbraw/zinc/74/62/44/1072746244.db2.gz INAZGUOGNWLIJP-SQNIBIBYSA-N 1 2 441.598 0.621 20 0 ICADLO COC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)OC ZINC001555252909 1072749005 /nfs/dbraw/zinc/74/90/05/1072749005.db2.gz GJKCSQXEMBWMLU-AEFFLSMTSA-N 1 2 443.552 0.791 20 0 ICADLO COC[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)OC ZINC001555252910 1072748994 /nfs/dbraw/zinc/74/89/94/1072748994.db2.gz GJKCSQXEMBWMLU-FUHWJXTLSA-N 1 2 443.552 0.791 20 0 ICADLO COC[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)OC ZINC001555252911 1072749137 /nfs/dbraw/zinc/74/91/37/1072749137.db2.gz GJKCSQXEMBWMLU-SJLPKXTDSA-N 1 2 443.552 0.791 20 0 ICADLO COC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)OC ZINC001555252912 1072749088 /nfs/dbraw/zinc/74/90/88/1072749088.db2.gz GJKCSQXEMBWMLU-WMZOPIPTSA-N 1 2 443.552 0.791 20 0 ICADLO COC[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001555253625 1072749623 /nfs/dbraw/zinc/74/96/23/1072749623.db2.gz NYFLEZHDIFSCIQ-GOSISDBHSA-N 1 2 443.552 0.746 20 0 ICADLO COC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001555253627 1072749576 /nfs/dbraw/zinc/74/95/76/1072749576.db2.gz NYFLEZHDIFSCIQ-SFHVURJKSA-N 1 2 443.552 0.746 20 0 ICADLO COC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001555253869 1072749548 /nfs/dbraw/zinc/74/95/48/1072749548.db2.gz QKGPQXITQQYBIW-GOSISDBHSA-N 1 2 446.556 0.084 20 0 ICADLO COC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001555253870 1072750071 /nfs/dbraw/zinc/75/00/71/1072750071.db2.gz QKGPQXITQQYBIW-SFHVURJKSA-N 1 2 446.556 0.084 20 0 ICADLO COC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)OC ZINC001555254065 1072750014 /nfs/dbraw/zinc/75/00/14/1072750014.db2.gz RYFBUAQOJUQPQA-DOTOQJQBSA-N 1 2 431.541 0.724 20 0 ICADLO COC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)OC ZINC001555254066 1072749960 /nfs/dbraw/zinc/74/99/60/1072749960.db2.gz RYFBUAQOJUQPQA-NVXWUHKLSA-N 1 2 431.541 0.724 20 0 ICADLO COC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)OC ZINC001555254067 1072750030 /nfs/dbraw/zinc/75/00/30/1072750030.db2.gz RYFBUAQOJUQPQA-RDJZCZTQSA-N 1 2 431.541 0.724 20 0 ICADLO COC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)OC ZINC001555254068 1072750001 /nfs/dbraw/zinc/75/00/01/1072750001.db2.gz RYFBUAQOJUQPQA-WBVHZDCISA-N 1 2 431.541 0.724 20 0 ICADLO COCC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001555357337 1072762964 /nfs/dbraw/zinc/76/29/64/1072762964.db2.gz FCOVBULMWYGEQO-CVEARBPZSA-N 1 2 444.602 0.472 20 0 ICADLO COCC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001555357337 1072762955 /nfs/dbraw/zinc/76/29/55/1072762955.db2.gz FCOVBULMWYGEQO-CVEARBPZSA-N 1 2 444.602 0.472 20 0 ICADLO COCC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001555357338 1072762699 /nfs/dbraw/zinc/76/26/99/1072762699.db2.gz FCOVBULMWYGEQO-HOTGVXAUSA-N 1 2 444.602 0.472 20 0 ICADLO COCC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001555357338 1072762687 /nfs/dbraw/zinc/76/26/87/1072762687.db2.gz FCOVBULMWYGEQO-HOTGVXAUSA-N 1 2 444.602 0.472 20 0 ICADLO COCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001555357339 1072762801 /nfs/dbraw/zinc/76/28/01/1072762801.db2.gz FCOVBULMWYGEQO-HZPDHXFCSA-N 1 2 444.602 0.472 20 0 ICADLO COCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001555357339 1072762789 /nfs/dbraw/zinc/76/27/89/1072762789.db2.gz FCOVBULMWYGEQO-HZPDHXFCSA-N 1 2 444.602 0.472 20 0 ICADLO COCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001555357340 1072762987 /nfs/dbraw/zinc/76/29/87/1072762987.db2.gz FCOVBULMWYGEQO-JKSUJKDBSA-N 1 2 444.602 0.472 20 0 ICADLO COCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001555357340 1072762981 /nfs/dbraw/zinc/76/29/81/1072762981.db2.gz FCOVBULMWYGEQO-JKSUJKDBSA-N 1 2 444.602 0.472 20 0 ICADLO COC[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001555370229 1072764209 /nfs/dbraw/zinc/76/42/09/1072764209.db2.gz GGWVUQYCEIBRLU-IBGZPJMESA-N 1 2 427.553 0.901 20 0 ICADLO COC[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001555370230 1072764228 /nfs/dbraw/zinc/76/42/28/1072764228.db2.gz GGWVUQYCEIBRLU-LJQANCHMSA-N 1 2 427.553 0.901 20 0 ICADLO COC[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001555374701 1072765209 /nfs/dbraw/zinc/76/52/09/1072765209.db2.gz JVCZJVKZDIUCFR-GOSISDBHSA-N 1 2 433.557 0.037 20 0 ICADLO COC[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001555374703 1072765155 /nfs/dbraw/zinc/76/51/55/1072765155.db2.gz JVCZJVKZDIUCFR-SFHVURJKSA-N 1 2 433.557 0.037 20 0 ICADLO COC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001555377627 1072765625 /nfs/dbraw/zinc/76/56/25/1072765625.db2.gz HDOZUYCWMXPDPH-KRWDZBQOSA-N 1 2 436.557 0.477 20 0 ICADLO COC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001555377627 1072765618 /nfs/dbraw/zinc/76/56/18/1072765618.db2.gz HDOZUYCWMXPDPH-KRWDZBQOSA-N 1 2 436.557 0.477 20 0 ICADLO COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001555377628 1072765568 /nfs/dbraw/zinc/76/55/68/1072765568.db2.gz HDOZUYCWMXPDPH-QGZVFWFLSA-N 1 2 436.557 0.477 20 0 ICADLO COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001555377628 1072765565 /nfs/dbraw/zinc/76/55/65/1072765565.db2.gz HDOZUYCWMXPDPH-QGZVFWFLSA-N 1 2 436.557 0.477 20 0 ICADLO COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC001555380367 1072766372 /nfs/dbraw/zinc/76/63/72/1072766372.db2.gz YMQAOJSIANEFCR-DLBZAZTESA-N 1 2 438.573 0.767 20 0 ICADLO COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC001555380367 1072766365 /nfs/dbraw/zinc/76/63/65/1072766365.db2.gz YMQAOJSIANEFCR-DLBZAZTESA-N 1 2 438.573 0.767 20 0 ICADLO COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC001555380368 1072766548 /nfs/dbraw/zinc/76/65/48/1072766548.db2.gz YMQAOJSIANEFCR-IAGOWNOFSA-N 1 2 438.573 0.767 20 0 ICADLO COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC001555380368 1072766540 /nfs/dbraw/zinc/76/65/40/1072766540.db2.gz YMQAOJSIANEFCR-IAGOWNOFSA-N 1 2 438.573 0.767 20 0 ICADLO COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC001555380369 1072766447 /nfs/dbraw/zinc/76/64/47/1072766447.db2.gz YMQAOJSIANEFCR-IRXDYDNUSA-N 1 2 438.573 0.767 20 0 ICADLO COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC001555380369 1072766440 /nfs/dbraw/zinc/76/64/40/1072766440.db2.gz YMQAOJSIANEFCR-IRXDYDNUSA-N 1 2 438.573 0.767 20 0 ICADLO COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC001555380370 1072766487 /nfs/dbraw/zinc/76/64/87/1072766487.db2.gz YMQAOJSIANEFCR-SJORKVTESA-N 1 2 438.573 0.767 20 0 ICADLO COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC001555380370 1072766482 /nfs/dbraw/zinc/76/64/82/1072766482.db2.gz YMQAOJSIANEFCR-SJORKVTESA-N 1 2 438.573 0.767 20 0 ICADLO COC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001555381621 1072767212 /nfs/dbraw/zinc/76/72/12/1072767212.db2.gz PJSIDKANLOVIHK-DZGCQCFKSA-N 1 2 440.526 0.192 20 0 ICADLO COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001555381622 1072767298 /nfs/dbraw/zinc/76/72/98/1072767298.db2.gz PJSIDKANLOVIHK-HIFRSBDPSA-N 1 2 440.526 0.192 20 0 ICADLO COC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001555381623 1072767389 /nfs/dbraw/zinc/76/73/89/1072767389.db2.gz PJSIDKANLOVIHK-UKRRQHHQSA-N 1 2 440.526 0.192 20 0 ICADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001555381624 1072767400 /nfs/dbraw/zinc/76/74/00/1072767400.db2.gz PJSIDKANLOVIHK-ZFWWWQNUSA-N 1 2 440.526 0.192 20 0 ICADLO COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001555402985 1072772752 /nfs/dbraw/zinc/77/27/52/1072772752.db2.gz DHGRTMGNNVHQEY-BZSNNMDCSA-N 1 2 436.557 0.361 20 0 ICADLO COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001555402986 1072772681 /nfs/dbraw/zinc/77/26/81/1072772681.db2.gz DHGRTMGNNVHQEY-KSZLIROESA-N 1 2 436.557 0.361 20 0 ICADLO COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001555402987 1072772818 /nfs/dbraw/zinc/77/28/18/1072772818.db2.gz DHGRTMGNNVHQEY-KURKYZTESA-N 1 2 436.557 0.361 20 0 ICADLO COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001555402988 1072772782 /nfs/dbraw/zinc/77/27/82/1072772782.db2.gz DHGRTMGNNVHQEY-SQNIBIBYSA-N 1 2 436.557 0.361 20 0 ICADLO COCC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001555446446 1072779061 /nfs/dbraw/zinc/77/90/61/1072779061.db2.gz HUVIJJBAYQMVPZ-BBWFWOEESA-N 1 2 444.602 0.472 20 0 ICADLO COCC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001555446446 1072779051 /nfs/dbraw/zinc/77/90/51/1072779051.db2.gz HUVIJJBAYQMVPZ-BBWFWOEESA-N 1 2 444.602 0.472 20 0 ICADLO COCC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001555446447 1072779279 /nfs/dbraw/zinc/77/92/79/1072779279.db2.gz HUVIJJBAYQMVPZ-IKGGRYGDSA-N 1 2 444.602 0.472 20 0 ICADLO COCC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001555446447 1072779269 /nfs/dbraw/zinc/77/92/69/1072779269.db2.gz HUVIJJBAYQMVPZ-IKGGRYGDSA-N 1 2 444.602 0.472 20 0 ICADLO COCC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001555446448 1072779190 /nfs/dbraw/zinc/77/91/90/1072779190.db2.gz HUVIJJBAYQMVPZ-ULQDDVLXSA-N 1 2 444.602 0.472 20 0 ICADLO COCC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001555446448 1072779181 /nfs/dbraw/zinc/77/91/81/1072779181.db2.gz HUVIJJBAYQMVPZ-ULQDDVLXSA-N 1 2 444.602 0.472 20 0 ICADLO COCC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001555446449 1072779339 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COCCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001555566340 1072800818 /nfs/dbraw/zinc/80/08/18/1072800818.db2.gz CQWRASNQDUETFN-QGZVFWFLSA-N 1 2 433.557 0.180 20 0 ICADLO COCCN1C[C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)CC[NH+]2CCOCC2)CC1=O ZINC001555574452 1072805671 /nfs/dbraw/zinc/80/56/71/1072805671.db2.gz WSLFOCNDOREANL-KRWDZBQOSA-N 1 2 431.541 0.537 20 0 ICADLO COCCN1C[C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)CC[NH+]2CCOCC2)CC1=O ZINC001555574453 1072805852 /nfs/dbraw/zinc/80/58/52/1072805852.db2.gz WSLFOCNDOREANL-QGZVFWFLSA-N 1 2 431.541 0.537 20 0 ICADLO COCCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c[nH+]ccc2OC)CC1=O ZINC001555576278 1072806767 /nfs/dbraw/zinc/80/67/67/1072806767.db2.gz CPJDNDSFWGZRJQ-UHFFFAOYSA-N 1 2 431.497 0.163 20 0 ICADLO COCCN1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001555578558 1072809246 /nfs/dbraw/zinc/80/92/46/1072809246.db2.gz XRDFKBQAZCDNMW-UHFFFAOYSA-N 1 2 435.573 0.035 20 0 ICADLO COCCN1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1=O ZINC001555578926 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HBBWWMBUPBHWQD-OAQYLSRUSA-N 1 2 448.572 0.756 20 0 ICADLO COCCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001555581903 1072811009 /nfs/dbraw/zinc/81/10/09/1072811009.db2.gz HKUTVIXTLZBKTM-INIZCTEOSA-N 1 2 432.525 0.862 20 0 ICADLO COCCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001555581905 1072810869 /nfs/dbraw/zinc/81/08/69/1072810869.db2.gz HKUTVIXTLZBKTM-MRXNPFEDSA-N 1 2 432.525 0.862 20 0 ICADLO COCCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001555591881 1072817858 /nfs/dbraw/zinc/81/78/58/1072817858.db2.gz SGPPVNTXMFDIQH-MSOLQXFVSA-N 1 2 436.557 0.188 20 0 ICADLO COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001555591882 1072817727 /nfs/dbraw/zinc/81/77/27/1072817727.db2.gz SGPPVNTXMFDIQH-QZTJIDSGSA-N 1 2 436.557 0.188 20 0 ICADLO COCCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001555591883 1072817413 /nfs/dbraw/zinc/81/74/13/1072817413.db2.gz SGPPVNTXMFDIQH-ROUUACIJSA-N 1 2 436.557 0.188 20 0 ICADLO COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001555591884 1072817491 /nfs/dbraw/zinc/81/74/91/1072817491.db2.gz SGPPVNTXMFDIQH-ZWKOTPCHSA-N 1 2 436.557 0.188 20 0 ICADLO COCCN1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001555592062 1072818386 /nfs/dbraw/zinc/81/83/86/1072818386.db2.gz UDRCIOFOHILAKY-MSOLQXFVSA-N 1 2 436.557 0.188 20 0 ICADLO COCCN1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001555592062 1072818380 /nfs/dbraw/zinc/81/83/80/1072818380.db2.gz UDRCIOFOHILAKY-MSOLQXFVSA-N 1 2 436.557 0.188 20 0 ICADLO COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001555592064 1072818585 /nfs/dbraw/zinc/81/85/85/1072818585.db2.gz UDRCIOFOHILAKY-QZTJIDSGSA-N 1 2 436.557 0.188 20 0 ICADLO COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001555592064 1072818571 /nfs/dbraw/zinc/81/85/71/1072818571.db2.gz UDRCIOFOHILAKY-QZTJIDSGSA-N 1 2 436.557 0.188 20 0 ICADLO COCCN1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001555592068 1072818410 /nfs/dbraw/zinc/81/84/10/1072818410.db2.gz UDRCIOFOHILAKY-ROUUACIJSA-N 1 2 436.557 0.188 20 0 ICADLO COCCN1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001555592068 1072818400 /nfs/dbraw/zinc/81/84/00/1072818400.db2.gz UDRCIOFOHILAKY-ROUUACIJSA-N 1 2 436.557 0.188 20 0 ICADLO COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001555592070 1072818641 /nfs/dbraw/zinc/81/86/41/1072818641.db2.gz UDRCIOFOHILAKY-ZWKOTPCHSA-N 1 2 436.557 0.188 20 0 ICADLO COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001555592070 1072818622 /nfs/dbraw/zinc/81/86/22/1072818622.db2.gz UDRCIOFOHILAKY-ZWKOTPCHSA-N 1 2 436.557 0.188 20 0 ICADLO COCCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001555596367 1072823276 /nfs/dbraw/zinc/82/32/76/1072823276.db2.gz ZUKMHEVLWKTHOK-GOSISDBHSA-N 1 2 443.552 0.280 20 0 ICADLO COCCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001555596368 1072823126 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QNCZMIRLOVHTGA-DLBZAZTESA-N 1 2 427.571 0.887 20 0 ICADLO COCCO[C@@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001555612501 1072829653 /nfs/dbraw/zinc/82/96/53/1072829653.db2.gz QNCZMIRLOVHTGA-DLBZAZTESA-N 1 2 427.571 0.887 20 0 ICADLO COCCO[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001555612502 1072829702 /nfs/dbraw/zinc/82/97/02/1072829702.db2.gz QNCZMIRLOVHTGA-IAGOWNOFSA-N 1 2 427.571 0.887 20 0 ICADLO COCCO[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001555612502 1072829698 /nfs/dbraw/zinc/82/96/98/1072829698.db2.gz QNCZMIRLOVHTGA-IAGOWNOFSA-N 1 2 427.571 0.887 20 0 ICADLO COCCO[C@@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001555612503 1072829637 /nfs/dbraw/zinc/82/96/37/1072829637.db2.gz QNCZMIRLOVHTGA-IRXDYDNUSA-N 1 2 427.571 0.887 20 0 ICADLO COCCO[C@@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001555612503 1072829629 /nfs/dbraw/zinc/82/96/29/1072829629.db2.gz QNCZMIRLOVHTGA-IRXDYDNUSA-N 1 2 427.571 0.887 20 0 ICADLO COCCO[C@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001555612504 1072829620 /nfs/dbraw/zinc/82/96/20/1072829620.db2.gz QNCZMIRLOVHTGA-SJORKVTESA-N 1 2 427.571 0.887 20 0 ICADLO COCCO[C@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001555612504 1072829615 /nfs/dbraw/zinc/82/96/15/1072829615.db2.gz QNCZMIRLOVHTGA-SJORKVTESA-N 1 2 427.571 0.887 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001555618931 1072830721 /nfs/dbraw/zinc/83/07/21/1072830721.db2.gz YPRWMAWGPJBBPH-DLBZAZTESA-N 1 2 438.573 0.780 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001555618931 1072830707 /nfs/dbraw/zinc/83/07/07/1072830707.db2.gz YPRWMAWGPJBBPH-DLBZAZTESA-N 1 2 438.573 0.780 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001555618932 1072830638 /nfs/dbraw/zinc/83/06/38/1072830638.db2.gz YPRWMAWGPJBBPH-IAGOWNOFSA-N 1 2 438.573 0.780 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001555618932 1072830628 /nfs/dbraw/zinc/83/06/28/1072830628.db2.gz YPRWMAWGPJBBPH-IAGOWNOFSA-N 1 2 438.573 0.780 20 0 ICADLO COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001555618933 1072830547 /nfs/dbraw/zinc/83/05/47/1072830547.db2.gz YPRWMAWGPJBBPH-IRXDYDNUSA-N 1 2 438.573 0.780 20 0 ICADLO COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001555618933 1072830538 /nfs/dbraw/zinc/83/05/38/1072830538.db2.gz YPRWMAWGPJBBPH-IRXDYDNUSA-N 1 2 438.573 0.780 20 0 ICADLO COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001555618934 1072830518 /nfs/dbraw/zinc/83/05/18/1072830518.db2.gz YPRWMAWGPJBBPH-SJORKVTESA-N 1 2 438.573 0.780 20 0 ICADLO COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001555618934 1072830503 /nfs/dbraw/zinc/83/05/03/1072830503.db2.gz YPRWMAWGPJBBPH-SJORKVTESA-N 1 2 438.573 0.780 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001555663175 1072836690 /nfs/dbraw/zinc/83/66/90/1072836690.db2.gz JZTBTGUAMSWZGA-DLBZAZTESA-N 1 2 436.557 0.534 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001555663175 1072836679 /nfs/dbraw/zinc/83/66/79/1072836679.db2.gz JZTBTGUAMSWZGA-DLBZAZTESA-N 1 2 436.557 0.534 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001555663177 1072836611 /nfs/dbraw/zinc/83/66/11/1072836611.db2.gz JZTBTGUAMSWZGA-IAGOWNOFSA-N 1 2 436.557 0.534 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001555663177 1072836605 /nfs/dbraw/zinc/83/66/05/1072836605.db2.gz JZTBTGUAMSWZGA-IAGOWNOFSA-N 1 2 436.557 0.534 20 0 ICADLO COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001555663281 1072836661 /nfs/dbraw/zinc/83/66/61/1072836661.db2.gz JZTBTGUAMSWZGA-IRXDYDNUSA-N 1 2 436.557 0.534 20 0 ICADLO COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001555663281 1072836655 /nfs/dbraw/zinc/83/66/55/1072836655.db2.gz JZTBTGUAMSWZGA-IRXDYDNUSA-N 1 2 436.557 0.534 20 0 ICADLO COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001555663282 1072836771 /nfs/dbraw/zinc/83/67/71/1072836771.db2.gz JZTBTGUAMSWZGA-SJORKVTESA-N 1 2 436.557 0.534 20 0 ICADLO COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001555663282 1072836760 /nfs/dbraw/zinc/83/67/60/1072836760.db2.gz JZTBTGUAMSWZGA-SJORKVTESA-N 1 2 436.557 0.534 20 0 ICADLO COCCO[C@@H](C)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001555669619 1072838560 /nfs/dbraw/zinc/83/85/60/1072838560.db2.gz KVBOTDJYMVKXSO-DOTOQJQBSA-N 1 2 444.540 0.725 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001555669622 1072838502 /nfs/dbraw/zinc/83/85/02/1072838502.db2.gz KVBOTDJYMVKXSO-NVXWUHKLSA-N 1 2 444.540 0.725 20 0 ICADLO COCCO[C@@H](C)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001555669623 1072838376 /nfs/dbraw/zinc/83/83/76/1072838376.db2.gz KVBOTDJYMVKXSO-RDJZCZTQSA-N 1 2 444.540 0.725 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001555669625 1072838522 /nfs/dbraw/zinc/83/85/22/1072838522.db2.gz KVBOTDJYMVKXSO-WBVHZDCISA-N 1 2 444.540 0.725 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CCO[C@]3(CCOC3)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001555673526 1072841234 /nfs/dbraw/zinc/84/12/34/1072841234.db2.gz NIQTWGFLNDBQBZ-DBXWQHBBSA-N 1 2 439.557 0.719 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001555673528 1072841163 /nfs/dbraw/zinc/84/11/63/1072841163.db2.gz NIQTWGFLNDBQBZ-OPYAIIAOSA-N 1 2 439.557 0.719 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001555673530 1072841083 /nfs/dbraw/zinc/84/10/83/1072841083.db2.gz NIQTWGFLNDBQBZ-UEXGIBASSA-N 1 2 439.557 0.719 20 0 ICADLO COCCO[C@H](C)c1nnc(N2CCO[C@]3(CCOC3)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001555673532 1072841175 /nfs/dbraw/zinc/84/11/75/1072841175.db2.gz NIQTWGFLNDBQBZ-WAOWUJCRSA-N 1 2 439.557 0.719 20 0 ICADLO COCCOCCn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001555721525 1072852072 /nfs/dbraw/zinc/85/20/72/1072852072.db2.gz IHPAWFVRYJNBBV-UHFFFAOYSA-N 1 2 445.568 0.691 20 0 ICADLO COCCOCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001555723567 1072852951 /nfs/dbraw/zinc/85/29/51/1072852951.db2.gz SGMCKFSUAZOFNQ-UHFFFAOYSA-N 1 2 431.541 0.681 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001555740525 1072857527 /nfs/dbraw/zinc/85/75/27/1072857527.db2.gz VFMCNSMYHHJISN-BQFCYCMXSA-N 1 2 429.525 0.823 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001555740526 1072857386 /nfs/dbraw/zinc/85/73/86/1072857386.db2.gz VFMCNSMYHHJISN-RYRKJORJSA-N 1 2 429.525 0.823 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(N)=O)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001555740673 1072857416 /nfs/dbraw/zinc/85/74/16/1072857416.db2.gz ZLDWVSNXRCYHKL-NJAFHUGGSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(N)=O)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001555740674 1072857344 /nfs/dbraw/zinc/85/73/44/1072857344.db2.gz ZLDWVSNXRCYHKL-SZMVWBNQSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001555741353 1072857436 /nfs/dbraw/zinc/85/74/36/1072857436.db2.gz PMOZBNORYWXQCB-IAGYGMIVSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001555741353 1072857432 /nfs/dbraw/zinc/85/74/32/1072857432.db2.gz PMOZBNORYWXQCB-IAGYGMIVSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001555741354 1072857564 /nfs/dbraw/zinc/85/75/64/1072857564.db2.gz PMOZBNORYWXQCB-JJDSTIRJSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001555741354 1072857550 /nfs/dbraw/zinc/85/75/50/1072857550.db2.gz PMOZBNORYWXQCB-JJDSTIRJSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001555741355 1072857891 /nfs/dbraw/zinc/85/78/91/1072857891.db2.gz PMOZBNORYWXQCB-MXTNKPTQSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001555741355 1072857884 /nfs/dbraw/zinc/85/78/84/1072857884.db2.gz PMOZBNORYWXQCB-MXTNKPTQSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001555741356 1072857960 /nfs/dbraw/zinc/85/79/60/1072857960.db2.gz PMOZBNORYWXQCB-NWZZKEMCSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001555741356 1072857951 /nfs/dbraw/zinc/85/79/51/1072857951.db2.gz PMOZBNORYWXQCB-NWZZKEMCSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001555747483 1072859342 /nfs/dbraw/zinc/85/93/42/1072859342.db2.gz PGQLNSOZSXQLLO-BDXSIMOUSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(N)=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001555747485 1072859254 /nfs/dbraw/zinc/85/92/54/1072859254.db2.gz PGQLNSOZSXQLLO-MHORFTMASA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001555747487 1072859316 /nfs/dbraw/zinc/85/93/16/1072859316.db2.gz PGQLNSOZSXQLLO-OWSLCNJRSA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001555747489 1072859332 /nfs/dbraw/zinc/85/93/32/1072859332.db2.gz PGQLNSOZSXQLLO-XSLAGTTESA-N 1 2 436.557 0.425 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001555751649 1072859899 /nfs/dbraw/zinc/85/98/99/1072859899.db2.gz KSCZEFNRHULWJO-NEWSRXKRSA-N 1 2 436.557 0.391 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001555751649 1072859890 /nfs/dbraw/zinc/85/98/90/1072859890.db2.gz KSCZEFNRHULWJO-NEWSRXKRSA-N 1 2 436.557 0.391 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001555751650 1072859864 /nfs/dbraw/zinc/85/98/64/1072859864.db2.gz KSCZEFNRHULWJO-WDSOQIARSA-N 1 2 436.557 0.391 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001555751650 1072859857 /nfs/dbraw/zinc/85/98/57/1072859857.db2.gz KSCZEFNRHULWJO-WDSOQIARSA-N 1 2 436.557 0.391 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCSCC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555756128 1072862482 /nfs/dbraw/zinc/86/24/82/1072862482.db2.gz RHKKMEVHPFUIHM-ROUUACIJSA-N 1 2 438.598 0.719 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)(=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001555756733 1072862316 /nfs/dbraw/zinc/86/23/16/1072862316.db2.gz LGHBZIBOMSXQLZ-IRXDYDNUSA-N 1 2 425.555 0.499 20 0 ICADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)(=O)CC2)n1CC[N@H+]1CC=CCC1 ZINC001555756733 1072862300 /nfs/dbraw/zinc/86/23/00/1072862300.db2.gz LGHBZIBOMSXQLZ-IRXDYDNUSA-N 1 2 425.555 0.499 20 0 ICADLO CON(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001555759053 1072863213 /nfs/dbraw/zinc/86/32/13/1072863213.db2.gz ARMJDDNEQUYPRE-BBRMVZONSA-N 1 2 434.588 0.094 20 0 ICADLO CON(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001555759054 1072863241 /nfs/dbraw/zinc/86/32/41/1072863241.db2.gz ARMJDDNEQUYPRE-CJNGLKHVSA-N 1 2 434.588 0.094 20 0 ICADLO CON(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001555759055 1072863809 /nfs/dbraw/zinc/86/38/09/1072863809.db2.gz ARMJDDNEQUYPRE-CZUORRHYSA-N 1 2 434.588 0.094 20 0 ICADLO CON(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001555759056 1072863855 /nfs/dbraw/zinc/86/38/55/1072863855.db2.gz ARMJDDNEQUYPRE-XJKSGUPXSA-N 1 2 434.588 0.094 20 0 ICADLO CO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001555770647 1072864910 /nfs/dbraw/zinc/86/49/10/1072864910.db2.gz OJIFNPGOHTWZQC-QGZVFWFLSA-N 1 2 429.525 0.921 20 0 ICADLO CS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001555807115 1072880256 /nfs/dbraw/zinc/88/02/56/1072880256.db2.gz PVYNYIPVSUVSRF-INIZCTEOSA-N 1 2 427.571 0.518 20 0 ICADLO CS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001555807116 1072880176 /nfs/dbraw/zinc/88/01/76/1072880176.db2.gz PVYNYIPVSUVSRF-MRXNPFEDSA-N 1 2 427.571 0.518 20 0 ICADLO CS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001555820191 1072896681 /nfs/dbraw/zinc/89/66/81/1072896681.db2.gz ZSPSNWYMHTVULN-INIZCTEOSA-N 1 2 435.554 0.443 20 0 ICADLO CS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001555820192 1072896813 /nfs/dbraw/zinc/89/68/13/1072896813.db2.gz ZSPSNWYMHTVULN-MRXNPFEDSA-N 1 2 435.554 0.443 20 0 ICADLO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)C[C@H](C)O1 ZINC001555960636 1072906509 /nfs/dbraw/zinc/90/65/09/1072906509.db2.gz DDIGVOQCCKMFRU-BWKZYLNWSA-N 1 2 438.598 0.686 20 0 ICADLO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)C[C@H](C)O1 ZINC001555960636 1072906503 /nfs/dbraw/zinc/90/65/03/1072906503.db2.gz DDIGVOQCCKMFRU-BWKZYLNWSA-N 1 2 438.598 0.686 20 0 ICADLO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CC2)C[C@H](C)O1 ZINC001555960638 1072906600 /nfs/dbraw/zinc/90/66/00/1072906600.db2.gz DDIGVOQCCKMFRU-DGNUTGQBSA-N 1 2 438.598 0.686 20 0 ICADLO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CC2)C[C@H](C)O1 ZINC001555960638 1072906593 /nfs/dbraw/zinc/90/65/93/1072906593.db2.gz DDIGVOQCCKMFRU-DGNUTGQBSA-N 1 2 438.598 0.686 20 0 ICADLO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CC2)C[C@H](C)O1 ZINC001555960640 1072906624 /nfs/dbraw/zinc/90/66/24/1072906624.db2.gz DDIGVOQCCKMFRU-OFVNJEQASA-N 1 2 438.598 0.686 20 0 ICADLO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CC2)C[C@H](C)O1 ZINC001555960640 1072906622 /nfs/dbraw/zinc/90/66/22/1072906622.db2.gz DDIGVOQCCKMFRU-OFVNJEQASA-N 1 2 438.598 0.686 20 0 ICADLO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)C[C@H](C)O1 ZINC001555960734 1072906674 /nfs/dbraw/zinc/90/66/74/1072906674.db2.gz DDIGVOQCCKMFRU-OJRPAPDCSA-N 1 2 438.598 0.686 20 0 ICADLO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)C[C@H](C)O1 ZINC001555960734 1072906672 /nfs/dbraw/zinc/90/66/72/1072906672.db2.gz DDIGVOQCCKMFRU-OJRPAPDCSA-N 1 2 438.598 0.686 20 0 ICADLO O=S1(=O)CC[C@H](c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCSCCCO)C1 ZINC001556034497 1072925280 /nfs/dbraw/zinc/92/52/80/1072925280.db2.gz WLVPLXONCGTWCT-DLBZAZTESA-N 1 2 443.639 0.970 20 0 ICADLO O=S1(=O)CC[C@H](c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCSCCCO)C1 ZINC001556034497 1072925279 /nfs/dbraw/zinc/92/52/79/1072925279.db2.gz WLVPLXONCGTWCT-DLBZAZTESA-N 1 2 443.639 0.970 20 0 ICADLO O=S1(=O)CC[C@@H](c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCSCCCO)C1 ZINC001556034498 1072925241 /nfs/dbraw/zinc/92/52/41/1072925241.db2.gz WLVPLXONCGTWCT-IAGOWNOFSA-N 1 2 443.639 0.970 20 0 ICADLO O=S1(=O)CC[C@@H](c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCSCCCO)C1 ZINC001556034498 1072925238 /nfs/dbraw/zinc/92/52/38/1072925238.db2.gz WLVPLXONCGTWCT-IAGOWNOFSA-N 1 2 443.639 0.970 20 0 ICADLO O=S1(=O)CC[C@H](c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCSCCCO)C1 ZINC001556034499 1072925292 /nfs/dbraw/zinc/92/52/92/1072925292.db2.gz WLVPLXONCGTWCT-IRXDYDNUSA-N 1 2 443.639 0.970 20 0 ICADLO O=S1(=O)CC[C@H](c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCSCCCO)C1 ZINC001556034499 1072925291 /nfs/dbraw/zinc/92/52/91/1072925291.db2.gz WLVPLXONCGTWCT-IRXDYDNUSA-N 1 2 443.639 0.970 20 0 ICADLO O=S1(=O)CC[C@@H](c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCSCCCO)C1 ZINC001556034500 1072925314 /nfs/dbraw/zinc/92/53/14/1072925314.db2.gz WLVPLXONCGTWCT-SJORKVTESA-N 1 2 443.639 0.970 20 0 ICADLO O=S1(=O)CC[C@@H](c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCSCCCO)C1 ZINC001556034500 1072925313 /nfs/dbraw/zinc/92/53/13/1072925313.db2.gz WLVPLXONCGTWCT-SJORKVTESA-N 1 2 443.639 0.970 20 0 ICADLO O=S1(=O)CC[C@H](c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCSCCCO)C1 ZINC001556034701 1072925206 /nfs/dbraw/zinc/92/52/06/1072925206.db2.gz YBGPMDLWIJBDAH-KRWDZBQOSA-N 1 2 443.639 0.828 20 0 ICADLO O=S1(=O)CC[C@@H](c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCSCCCO)C1 ZINC001556034702 1072925248 /nfs/dbraw/zinc/92/52/48/1072925248.db2.gz YBGPMDLWIJBDAH-QGZVFWFLSA-N 1 2 443.639 0.828 20 0 ICADLO C/C(=C\C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)C[NH+]1CCOCC1 ZINC001556080465 1072929492 /nfs/dbraw/zinc/92/94/92/1072929492.db2.gz GUGUNPAXZMZGQW-NTCAYCPXSA-N 1 2 425.507 0.630 20 0 ICADLO C/C(=C/C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)C[NH+]1CCOCC1 ZINC001556080466 1072929451 /nfs/dbraw/zinc/92/94/51/1072929451.db2.gz GUGUNPAXZMZGQW-QINSGFPZSA-N 1 2 425.507 0.630 20 0 ICADLO Cn1c[nH+]cc1CCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001556175235 1072933600 /nfs/dbraw/zinc/93/36/00/1072933600.db2.gz KOTDYEJSAQBQGH-BMFZPTHFSA-N 1 2 426.539 0.749 20 0 ICADLO Cn1c[nH+]cc1CCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001556175236 1072933562 /nfs/dbraw/zinc/93/35/62/1072933562.db2.gz KOTDYEJSAQBQGH-FVQBIDKESA-N 1 2 426.539 0.749 20 0 ICADLO Cn1c[nH+]cc1CCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001556175237 1072933504 /nfs/dbraw/zinc/93/35/04/1072933504.db2.gz KOTDYEJSAQBQGH-KBMXLJTQSA-N 1 2 426.539 0.749 20 0 ICADLO Cn1c[nH+]cc1CCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001556175238 1072934099 /nfs/dbraw/zinc/93/40/99/1072934099.db2.gz KOTDYEJSAQBQGH-VNQPRFMTSA-N 1 2 426.539 0.749 20 0 ICADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001556221207 1072937614 /nfs/dbraw/zinc/93/76/14/1072937614.db2.gz BCSWUHXRFCDWDO-CVEARBPZSA-N 1 2 447.598 0.714 20 0 ICADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001556221207 1072937609 /nfs/dbraw/zinc/93/76/09/1072937609.db2.gz BCSWUHXRFCDWDO-CVEARBPZSA-N 1 2 447.598 0.714 20 0 ICADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001556221208 1072937544 /nfs/dbraw/zinc/93/75/44/1072937544.db2.gz BCSWUHXRFCDWDO-HOTGVXAUSA-N 1 2 447.598 0.714 20 0 ICADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001556221208 1072937541 /nfs/dbraw/zinc/93/75/41/1072937541.db2.gz BCSWUHXRFCDWDO-HOTGVXAUSA-N 1 2 447.598 0.714 20 0 ICADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001556221209 1072937653 /nfs/dbraw/zinc/93/76/53/1072937653.db2.gz BCSWUHXRFCDWDO-HZPDHXFCSA-N 1 2 447.598 0.714 20 0 ICADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001556221209 1072937651 /nfs/dbraw/zinc/93/76/51/1072937651.db2.gz BCSWUHXRFCDWDO-HZPDHXFCSA-N 1 2 447.598 0.714 20 0 ICADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001556221210 1072937647 /nfs/dbraw/zinc/93/76/47/1072937647.db2.gz BCSWUHXRFCDWDO-JKSUJKDBSA-N 1 2 447.598 0.714 20 0 ICADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001556221210 1072937645 /nfs/dbraw/zinc/93/76/45/1072937645.db2.gz BCSWUHXRFCDWDO-JKSUJKDBSA-N 1 2 447.598 0.714 20 0 ICADLO CC1(C)CN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC[N@H+]1CCO ZINC001556222904 1072937662 /nfs/dbraw/zinc/93/76/62/1072937662.db2.gz MHLSOTQZCOIRRG-UHFFFAOYSA-N 1 2 445.607 0.670 20 0 ICADLO CC1(C)CN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC[N@@H+]1CCO ZINC001556222904 1072937660 /nfs/dbraw/zinc/93/76/60/1072937660.db2.gz MHLSOTQZCOIRRG-UHFFFAOYSA-N 1 2 445.607 0.670 20 0 ICADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)CC1 ZINC001556232190 1072938066 /nfs/dbraw/zinc/93/80/66/1072938066.db2.gz BLEJZEVTABZRCP-IBGZPJMESA-N 1 2 431.537 0.696 20 0 ICADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)CC1 ZINC001556232191 1072937972 /nfs/dbraw/zinc/93/79/72/1072937972.db2.gz BLEJZEVTABZRCP-LJQANCHMSA-N 1 2 431.537 0.696 20 0 ICADLO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC001556365359 1072945985 /nfs/dbraw/zinc/94/59/85/1072945985.db2.gz DZJQADIVAQGWTJ-GOSISDBHSA-N 1 2 441.488 0.917 20 0 ICADLO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC001556365360 1072946021 /nfs/dbraw/zinc/94/60/21/1072946021.db2.gz DZJQADIVAQGWTJ-SFHVURJKSA-N 1 2 441.488 0.917 20 0 ICADLO Nc1nnn(CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(I)cc2)n1 ZINC001556367021 1072947737 /nfs/dbraw/zinc/94/77/37/1072947737.db2.gz QFWYTSNEDJQIHQ-CYBMUJFWSA-N 1 2 441.277 0.641 20 0 ICADLO Nc1nnn(CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(I)cc2)n1 ZINC001556367021 1072947735 /nfs/dbraw/zinc/94/77/35/1072947735.db2.gz QFWYTSNEDJQIHQ-CYBMUJFWSA-N 1 2 441.277 0.641 20 0 ICADLO Nc1nnn(CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(I)cc2)n1 ZINC001556367022 1072947687 /nfs/dbraw/zinc/94/76/87/1072947687.db2.gz QFWYTSNEDJQIHQ-ZDUSSCGKSA-N 1 2 441.277 0.641 20 0 ICADLO Nc1nnn(CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(I)cc2)n1 ZINC001556367022 1072947685 /nfs/dbraw/zinc/94/76/85/1072947685.db2.gz QFWYTSNEDJQIHQ-ZDUSSCGKSA-N 1 2 441.277 0.641 20 0 ICADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CCC(O)(C(N)=O)CC1)Cc1ccccc1 ZINC001556370539 1072948170 /nfs/dbraw/zinc/94/81/70/1072948170.db2.gz ZKPJVWWWIYOOME-UHFFFAOYSA-N 1 2 434.537 0.852 20 0 ICADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CCC(O)(C(N)=O)CC1)Cc1ccccc1 ZINC001556370539 1072948167 /nfs/dbraw/zinc/94/81/67/1072948167.db2.gz ZKPJVWWWIYOOME-UHFFFAOYSA-N 1 2 434.537 0.852 20 0 ICADLO C[NH+]1CCN(C2CN(C(=O)c3cc(S(=O)(=O)NCc4ccccc4)ccc3O)C2)CC1 ZINC001556427174 1072951402 /nfs/dbraw/zinc/95/14/02/1072951402.db2.gz SETSWUTTZBPRIC-UHFFFAOYSA-N 1 2 444.557 0.943 20 0 ICADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cccn3CC[NH+]3CCOCC3)C2=O)c1 ZINC001556440375 1072952103 /nfs/dbraw/zinc/95/21/03/1072952103.db2.gz PBDOSTXEPYNBTJ-JOCHJYFZSA-N 1 2 441.488 0.941 20 0 ICADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cccn3CC[NH+]3CCOCC3)C2=O)c1 ZINC001556440376 1072952160 /nfs/dbraw/zinc/95/21/60/1072952160.db2.gz PBDOSTXEPYNBTJ-QFIPXVFZSA-N 1 2 441.488 0.941 20 0 ICADLO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnc(I)c(O)c3)CC2)C1=O ZINC001556526875 1072958676 /nfs/dbraw/zinc/95/86/76/1072958676.db2.gz JEFDDECNPYZAIX-GFCCVEGCSA-N 1 2 444.273 0.817 20 0 ICADLO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnc(I)c(O)c3)CC2)C1=O ZINC001556526876 1072958648 /nfs/dbraw/zinc/95/86/48/1072958648.db2.gz JEFDDECNPYZAIX-LBPRGKRZSA-N 1 2 444.273 0.817 20 0 ICADLO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001556533375 1072959099 /nfs/dbraw/zinc/95/90/99/1072959099.db2.gz BKIVSADRHXUKIU-HNNXBMFYSA-N 1 2 441.554 0.675 20 0 ICADLO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001556533376 1072959109 /nfs/dbraw/zinc/95/91/09/1072959109.db2.gz BKIVSADRHXUKIU-OAHLLOKOSA-N 1 2 441.554 0.675 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CCc1c(C)nc(N3CCOCC3)[nH]c1=O)C2 ZINC001556538584 1072959464 /nfs/dbraw/zinc/95/94/64/1072959464.db2.gz BEZWZSSQBPSWLS-INIZCTEOSA-N 1 2 444.536 0.431 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CCc1c(C)nc(N3CCOCC3)[nH]c1=O)C2 ZINC001556538585 1072959325 /nfs/dbraw/zinc/95/93/25/1072959325.db2.gz BEZWZSSQBPSWLS-MRXNPFEDSA-N 1 2 444.536 0.431 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)C2 ZINC001556538722 1072959531 /nfs/dbraw/zinc/95/95/31/1072959531.db2.gz FTVQIOZWVHKBGC-CVEARBPZSA-N 1 2 434.537 0.738 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)C2 ZINC001556538723 1072959377 /nfs/dbraw/zinc/95/93/77/1072959377.db2.gz FTVQIOZWVHKBGC-HOTGVXAUSA-N 1 2 434.537 0.738 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)C2 ZINC001556538724 1072959438 /nfs/dbraw/zinc/95/94/38/1072959438.db2.gz FTVQIOZWVHKBGC-HZPDHXFCSA-N 1 2 434.537 0.738 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)C2 ZINC001556538725 1072959479 /nfs/dbraw/zinc/95/94/79/1072959479.db2.gz FTVQIOZWVHKBGC-JKSUJKDBSA-N 1 2 434.537 0.738 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001556538914 1072959429 /nfs/dbraw/zinc/95/94/29/1072959429.db2.gz KDPJOSLAZXLEAT-KRWDZBQOSA-N 1 2 441.536 0.076 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC001556538915 1072959498 /nfs/dbraw/zinc/95/94/98/1072959498.db2.gz KDPJOSLAZXLEAT-QGZVFWFLSA-N 1 2 441.536 0.076 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)C2 ZINC001556539249 1072959525 /nfs/dbraw/zinc/95/95/25/1072959525.db2.gz SJEPQFPZTKCVSU-BBRMVZONSA-N 1 2 436.534 0.130 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1)C2 ZINC001556539250 1072959509 /nfs/dbraw/zinc/95/95/09/1072959509.db2.gz SJEPQFPZTKCVSU-CJNGLKHVSA-N 1 2 436.534 0.130 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1)C2 ZINC001556539251 1072959403 /nfs/dbraw/zinc/95/94/03/1072959403.db2.gz SJEPQFPZTKCVSU-CZUORRHYSA-N 1 2 436.534 0.130 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)C2 ZINC001556539252 1072959347 /nfs/dbraw/zinc/95/93/47/1072959347.db2.gz SJEPQFPZTKCVSU-XJKSGUPXSA-N 1 2 436.534 0.130 20 0 ICADLO CC(=O)c1ccc(S(=O)(=O)CC(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)cc1F ZINC001556539496 1072959361 /nfs/dbraw/zinc/95/93/61/1072959361.db2.gz YOPLPSZWRAOBHX-AWEZNQCLSA-N 1 2 437.493 0.973 20 0 ICADLO CC(=O)c1ccc(S(=O)(=O)CC(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)cc1F ZINC001556539497 1072959450 /nfs/dbraw/zinc/95/94/50/1072959450.db2.gz YOPLPSZWRAOBHX-CQSZACIVSA-N 1 2 437.493 0.973 20 0 ICADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cn1 ZINC001556542849 1072960411 /nfs/dbraw/zinc/96/04/11/1072960411.db2.gz BKCFVGFFDAKXOX-UHFFFAOYSA-N 1 2 444.517 0.654 20 0 ICADLO COc1cc(CO)ccc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556543460 1072960386 /nfs/dbraw/zinc/96/03/86/1072960386.db2.gz BFAQUGUWEVOXPW-INIZCTEOSA-N 1 2 441.532 0.764 20 0 ICADLO COc1cc(CO)ccc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556543461 1072960454 /nfs/dbraw/zinc/96/04/54/1072960454.db2.gz BFAQUGUWEVOXPW-MRXNPFEDSA-N 1 2 441.532 0.764 20 0 ICADLO CC(=O)NC1CCC(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1 ZINC001556543509 1072960407 /nfs/dbraw/zinc/96/04/07/1072960407.db2.gz CNCJRPLQIOWKRI-LMDPOFIKSA-N 1 2 444.580 0.644 20 0 ICADLO CC(=O)NC1CCC(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1 ZINC001556543510 1072960371 /nfs/dbraw/zinc/96/03/71/1072960371.db2.gz CNCJRPLQIOWKRI-VIQWUECVSA-N 1 2 444.580 0.644 20 0 ICADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@](C)(O)c2ccccc2)CC3)CC1 ZINC001556543757 1072960480 /nfs/dbraw/zinc/96/04/80/1072960480.db2.gz KFJJBWATDDUXTJ-HXOBKFHXSA-N 1 2 425.533 0.857 20 0 ICADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@](C)(O)c2ccccc2)CC3)CC1 ZINC001556543758 1072960430 /nfs/dbraw/zinc/96/04/30/1072960430.db2.gz KFJJBWATDDUXTJ-SBUREZEXSA-N 1 2 425.533 0.857 20 0 ICADLO COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC001556543889 1072960853 /nfs/dbraw/zinc/96/08/53/1072960853.db2.gz NYZOHUNQZSXISX-IXDOHACOSA-N 1 2 431.537 0.539 20 0 ICADLO COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC001556543890 1072960862 /nfs/dbraw/zinc/96/08/62/1072960862.db2.gz NYZOHUNQZSXISX-YESZJQIVSA-N 1 2 431.537 0.539 20 0 ICADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cc(C(F)F)ncn2)CC3)CC1 ZINC001556543904 1072960871 /nfs/dbraw/zinc/96/08/71/1072960871.db2.gz OECRVNDIRNPOKQ-CYBMUJFWSA-N 1 2 433.463 0.991 20 0 ICADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cc(C(F)F)ncn2)CC3)CC1 ZINC001556543905 1072960815 /nfs/dbraw/zinc/96/08/15/1072960815.db2.gz OECRVNDIRNPOKQ-ZDUSSCGKSA-N 1 2 433.463 0.991 20 0 ICADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)cn1 ZINC001556543951 1072960892 /nfs/dbraw/zinc/96/08/92/1072960892.db2.gz PQMVEYRERSCLAO-GOSISDBHSA-N 1 2 441.467 0.459 20 0 ICADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)cn1 ZINC001556543952 1072960856 /nfs/dbraw/zinc/96/08/56/1072960856.db2.gz PQMVEYRERSCLAO-SFHVURJKSA-N 1 2 441.467 0.459 20 0 ICADLO C[C@@H](CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1cnn(C)c1 ZINC001556544034 1072960837 /nfs/dbraw/zinc/96/08/37/1072960837.db2.gz RKURJMNHVNVMDQ-DLBZAZTESA-N 1 2 427.553 0.877 20 0 ICADLO C[C@H](CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1cnn(C)c1 ZINC001556544035 1072960913 /nfs/dbraw/zinc/96/09/13/1072960913.db2.gz RKURJMNHVNVMDQ-IAGOWNOFSA-N 1 2 427.553 0.877 20 0 ICADLO C[C@@H](CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1cnn(C)c1 ZINC001556544036 1072960873 /nfs/dbraw/zinc/96/08/73/1072960873.db2.gz RKURJMNHVNVMDQ-IRXDYDNUSA-N 1 2 427.553 0.877 20 0 ICADLO C[C@H](CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)c1cnn(C)c1 ZINC001556544037 1072960820 /nfs/dbraw/zinc/96/08/20/1072960820.db2.gz RKURJMNHVNVMDQ-SJORKVTESA-N 1 2 427.553 0.877 20 0 ICADLO CCCCS(=O)(=O)CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556544075 1072960825 /nfs/dbraw/zinc/96/08/25/1072960825.db2.gz SJQQWNQPIOTMCV-INIZCTEOSA-N 1 2 439.582 0.164 20 0 ICADLO CCCCS(=O)(=O)CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556544076 1072960844 /nfs/dbraw/zinc/96/08/44/1072960844.db2.gz SJQQWNQPIOTMCV-MRXNPFEDSA-N 1 2 439.582 0.164 20 0 ICADLO CCc1c[nH]c(=O)c(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1 ZINC001556544172 1072960829 /nfs/dbraw/zinc/96/08/29/1072960829.db2.gz VOUOBNVLLRPPHW-INIZCTEOSA-N 1 2 426.521 0.926 20 0 ICADLO CCc1c[nH]c(=O)c(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1 ZINC001556544173 1072960846 /nfs/dbraw/zinc/96/08/46/1072960846.db2.gz VOUOBNVLLRPPHW-MRXNPFEDSA-N 1 2 426.521 0.926 20 0 ICADLO CC(=O)N[C@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)C(C)(C)C ZINC001556544180 1072960885 /nfs/dbraw/zinc/96/08/85/1072960885.db2.gz VWEDAHCPRMKJBF-QFBILLFUSA-N 1 2 432.569 0.500 20 0 ICADLO CC(=O)N[C@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)C(C)(C)C ZINC001556544181 1072960841 /nfs/dbraw/zinc/96/08/41/1072960841.db2.gz VWEDAHCPRMKJBF-VQIMIIECSA-N 1 2 432.569 0.500 20 0 ICADLO C[C@H](OCc1ccncc1)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556544202 1072960835 /nfs/dbraw/zinc/96/08/35/1072960835.db2.gz WKWZDYFIVCKKCT-HKUYNNGSSA-N 1 2 440.548 0.950 20 0 ICADLO C[C@@H](OCc1ccncc1)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556544203 1072960901 /nfs/dbraw/zinc/96/09/01/1072960901.db2.gz WKWZDYFIVCKKCT-IEBWSBKVSA-N 1 2 440.548 0.950 20 0 ICADLO C[C@@H](OCc1ccncc1)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556544204 1072961284 /nfs/dbraw/zinc/96/12/84/1072961284.db2.gz WKWZDYFIVCKKCT-MJGOQNOKSA-N 1 2 440.548 0.950 20 0 ICADLO C[C@H](OCc1ccncc1)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556544205 1072961339 /nfs/dbraw/zinc/96/13/39/1072961339.db2.gz WKWZDYFIVCKKCT-PKOBYXMFSA-N 1 2 440.548 0.950 20 0 ICADLO Cc1[nH]c(=O)[nH]c(=S)c1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556544212 1072961369 /nfs/dbraw/zinc/96/13/69/1072961369.db2.gz WQAQIWLVWOWUDI-CYBMUJFWSA-N 1 2 445.549 0.356 20 0 ICADLO Cc1[nH]c(=O)[nH]c(=S)c1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556544213 1072961318 /nfs/dbraw/zinc/96/13/18/1072961318.db2.gz WQAQIWLVWOWUDI-ZDUSSCGKSA-N 1 2 445.549 0.356 20 0 ICADLO COc1ccc(CCC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cn1 ZINC001556544284 1072961267 /nfs/dbraw/zinc/96/12/67/1072961267.db2.gz YHAPPIJDGYYAFQ-GOSISDBHSA-N 1 2 440.548 0.986 20 0 ICADLO COc1ccc(CCC(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cn1 ZINC001556544285 1072961346 /nfs/dbraw/zinc/96/13/46/1072961346.db2.gz YHAPPIJDGYYAFQ-SFHVURJKSA-N 1 2 440.548 0.986 20 0 ICADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001556556095 1072961385 /nfs/dbraw/zinc/96/13/85/1072961385.db2.gz CMBADPVQHRXPLU-AEFFLSMTSA-N 1 2 437.562 0.767 20 0 ICADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001556556096 1072961352 /nfs/dbraw/zinc/96/13/52/1072961352.db2.gz CMBADPVQHRXPLU-FUHWJXTLSA-N 1 2 437.562 0.767 20 0 ICADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001556556097 1072961277 /nfs/dbraw/zinc/96/12/77/1072961277.db2.gz CMBADPVQHRXPLU-SJLPKXTDSA-N 1 2 437.562 0.767 20 0 ICADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001556556098 1072961359 /nfs/dbraw/zinc/96/13/59/1072961359.db2.gz CMBADPVQHRXPLU-WMZOPIPTSA-N 1 2 437.562 0.767 20 0 ICADLO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cc(S(N)(=O)=O)ccc1O ZINC001556558309 1072961809 /nfs/dbraw/zinc/96/18/09/1072961809.db2.gz UABXKBRQZBBLEC-UHFFFAOYSA-N 1 2 432.546 0.929 20 0 ICADLO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001556559100 1072961783 /nfs/dbraw/zinc/96/17/83/1072961783.db2.gz WNBPHYKHJPWXGV-LBPRGKRZSA-N 1 2 445.295 0.181 20 0 ICADLO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC001556565713 1072963114 /nfs/dbraw/zinc/96/31/14/1072963114.db2.gz UDGOIIYBMLEPMY-AWEZNQCLSA-N 1 2 426.470 0.759 20 0 ICADLO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC001556565714 1072963127 /nfs/dbraw/zinc/96/31/27/1072963127.db2.gz UDGOIIYBMLEPMY-CQSZACIVSA-N 1 2 426.470 0.759 20 0 ICADLO CNS(=O)(=O)NCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC001556570854 1072963437 /nfs/dbraw/zinc/96/34/37/1072963437.db2.gz QBYHAVJPVSMDKC-UHFFFAOYSA-N 1 2 430.328 0.728 20 0 ICADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC001556601842 1072966053 /nfs/dbraw/zinc/96/60/53/1072966053.db2.gz CFJIFJQPWFCTIA-HNNXBMFYSA-N 1 2 428.580 0.550 20 0 ICADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001556601842 1072966049 /nfs/dbraw/zinc/96/60/49/1072966049.db2.gz CFJIFJQPWFCTIA-HNNXBMFYSA-N 1 2 428.580 0.550 20 0 ICADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC001556601843 1072966071 /nfs/dbraw/zinc/96/60/71/1072966071.db2.gz CFJIFJQPWFCTIA-OAHLLOKOSA-N 1 2 428.580 0.550 20 0 ICADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001556601843 1072966068 /nfs/dbraw/zinc/96/60/68/1072966068.db2.gz CFJIFJQPWFCTIA-OAHLLOKOSA-N 1 2 428.580 0.550 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC001556602189 1072966870 /nfs/dbraw/zinc/96/68/70/1072966870.db2.gz QHTNJAQEQOFMMI-INIZCTEOSA-N 1 2 429.568 0.163 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC001556602189 1072966868 /nfs/dbraw/zinc/96/68/68/1072966868.db2.gz QHTNJAQEQOFMMI-INIZCTEOSA-N 1 2 429.568 0.163 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC001556602190 1072966853 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/nfs/dbraw/zinc/04/42/08/1073044208.db2.gz LLUZPLCHOTYBRI-KBPBESRZSA-N 1 2 428.555 0.918 20 0 ICADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC001557441369 1073044029 /nfs/dbraw/zinc/04/40/29/1073044029.db2.gz LLUZPLCHOTYBRI-KGLIPLIRSA-N 1 2 428.555 0.918 20 0 ICADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC001557441369 1073044027 /nfs/dbraw/zinc/04/40/27/1073044027.db2.gz LLUZPLCHOTYBRI-KGLIPLIRSA-N 1 2 428.555 0.918 20 0 ICADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC001557441370 1073043947 /nfs/dbraw/zinc/04/39/47/1073043947.db2.gz LLUZPLCHOTYBRI-UONOGXRCSA-N 1 2 428.555 0.918 20 0 ICADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC001557441370 1073043939 /nfs/dbraw/zinc/04/39/39/1073043939.db2.gz LLUZPLCHOTYBRI-UONOGXRCSA-N 1 2 428.555 0.918 20 0 ICADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC001557441371 1073044234 /nfs/dbraw/zinc/04/42/34/1073044234.db2.gz LLUZPLCHOTYBRI-ZIAGYGMSSA-N 1 2 428.555 0.918 20 0 ICADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC001557441371 1073044228 /nfs/dbraw/zinc/04/42/28/1073044228.db2.gz LLUZPLCHOTYBRI-ZIAGYGMSSA-N 1 2 428.555 0.918 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001557503151 1073050893 /nfs/dbraw/zinc/05/08/93/1073050893.db2.gz HGJPMXRYRSZSFC-GDBMZVCRSA-N 1 2 425.497 0.316 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001557503151 1073050888 /nfs/dbraw/zinc/05/08/88/1073050888.db2.gz HGJPMXRYRSZSFC-GDBMZVCRSA-N 1 2 425.497 0.316 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001557503154 1073050750 /nfs/dbraw/zinc/05/07/50/1073050750.db2.gz HGJPMXRYRSZSFC-GOEBONIOSA-N 1 2 425.497 0.316 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001557503154 1073050733 /nfs/dbraw/zinc/05/07/33/1073050733.db2.gz HGJPMXRYRSZSFC-GOEBONIOSA-N 1 2 425.497 0.316 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001557503156 1073050874 /nfs/dbraw/zinc/05/08/74/1073050874.db2.gz HGJPMXRYRSZSFC-HOCLYGCPSA-N 1 2 425.497 0.316 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001557503156 1073050869 /nfs/dbraw/zinc/05/08/69/1073050869.db2.gz HGJPMXRYRSZSFC-HOCLYGCPSA-N 1 2 425.497 0.316 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001557503159 1073050646 /nfs/dbraw/zinc/05/06/46/1073050646.db2.gz HGJPMXRYRSZSFC-ZBFHGGJFSA-N 1 2 425.497 0.316 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001557503159 1073050633 /nfs/dbraw/zinc/05/06/33/1073050633.db2.gz HGJPMXRYRSZSFC-ZBFHGGJFSA-N 1 2 425.497 0.316 20 0 ICADLO NC(=O)c1cn(C2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)nn1 ZINC001557514303 1073052066 /nfs/dbraw/zinc/05/20/66/1073052066.db2.gz VDSQJPSZURIPRY-UHFFFAOYSA-N 1 2 440.508 0.065 20 0 ICADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)C3CCCCC3)C[C@H]21 ZINC001557535237 1073055976 /nfs/dbraw/zinc/05/59/76/1073055976.db2.gz XWLANPRODBSRBB-FJIDUMEYSA-N 1 2 438.550 0.288 20 0 ICADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)C3CCCCC3)C[C@H]21 ZINC001557535237 1073055968 /nfs/dbraw/zinc/05/59/68/1073055968.db2.gz XWLANPRODBSRBB-FJIDUMEYSA-N 1 2 438.550 0.288 20 0 ICADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)C2)c1 ZINC001557539600 1073056377 /nfs/dbraw/zinc/05/63/77/1073056377.db2.gz NJIAWKFKJCPPJD-DENIHFKCSA-N 1 2 433.505 0.929 20 0 ICADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)C2)c1 ZINC001557539600 1073056361 /nfs/dbraw/zinc/05/63/61/1073056361.db2.gz NJIAWKFKJCPPJD-DENIHFKCSA-N 1 2 433.505 0.929 20 0 ICADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)C2)c1 ZINC001557539601 1073056667 /nfs/dbraw/zinc/05/66/67/1073056667.db2.gz NJIAWKFKJCPPJD-KNQAVFIVSA-N 1 2 433.505 0.929 20 0 ICADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)C2)c1 ZINC001557539601 1073056658 /nfs/dbraw/zinc/05/66/58/1073056658.db2.gz NJIAWKFKJCPPJD-KNQAVFIVSA-N 1 2 433.505 0.929 20 0 ICADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)C2)c1 ZINC001557539602 1073056568 /nfs/dbraw/zinc/05/65/68/1073056568.db2.gz NJIAWKFKJCPPJD-SIKLNZKXSA-N 1 2 433.505 0.929 20 0 ICADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)C2)c1 ZINC001557539602 1073056558 /nfs/dbraw/zinc/05/65/58/1073056558.db2.gz NJIAWKFKJCPPJD-SIKLNZKXSA-N 1 2 433.505 0.929 20 0 ICADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)C2)c1 ZINC001557539603 1073056271 /nfs/dbraw/zinc/05/62/71/1073056271.db2.gz NJIAWKFKJCPPJD-UGKGYDQZSA-N 1 2 433.505 0.929 20 0 ICADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)C2)c1 ZINC001557539603 1073056261 /nfs/dbraw/zinc/05/62/61/1073056261.db2.gz NJIAWKFKJCPPJD-UGKGYDQZSA-N 1 2 433.505 0.929 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001557539610 1073056321 /nfs/dbraw/zinc/05/63/21/1073056321.db2.gz NVRPUVBTSKLMGG-GEQKSPFYSA-N 1 2 449.523 0.062 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001557539610 1073056313 /nfs/dbraw/zinc/05/63/13/1073056313.db2.gz NVRPUVBTSKLMGG-GEQKSPFYSA-N 1 2 449.523 0.062 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001557539611 1073056535 /nfs/dbraw/zinc/05/65/35/1073056535.db2.gz NVRPUVBTSKLMGG-HFJQGTKSSA-N 1 2 449.523 0.062 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001557539611 1073056526 /nfs/dbraw/zinc/05/65/26/1073056526.db2.gz NVRPUVBTSKLMGG-HFJQGTKSSA-N 1 2 449.523 0.062 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001557539612 1073056636 /nfs/dbraw/zinc/05/66/36/1073056636.db2.gz NVRPUVBTSKLMGG-LYHRCORUSA-N 1 2 449.523 0.062 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001557539612 1073056629 /nfs/dbraw/zinc/05/66/29/1073056629.db2.gz NVRPUVBTSKLMGG-LYHRCORUSA-N 1 2 449.523 0.062 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001557539613 1073056442 /nfs/dbraw/zinc/05/64/42/1073056442.db2.gz NVRPUVBTSKLMGG-WCAVRKLYSA-N 1 2 449.523 0.062 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001557539613 1073056428 /nfs/dbraw/zinc/05/64/28/1073056428.db2.gz NVRPUVBTSKLMGG-WCAVRKLYSA-N 1 2 449.523 0.062 20 0 ICADLO C[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001557540089 1073057246 /nfs/dbraw/zinc/05/72/46/1073057246.db2.gz WYHXYUHWCRKTLN-HRAATJIYSA-N 1 2 439.578 0.772 20 0 ICADLO C[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001557540089 1073057242 /nfs/dbraw/zinc/05/72/42/1073057242.db2.gz WYHXYUHWCRKTLN-HRAATJIYSA-N 1 2 439.578 0.772 20 0 ICADLO C[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001557540090 1073057147 /nfs/dbraw/zinc/05/71/47/1073057147.db2.gz WYHXYUHWCRKTLN-IERDGZPVSA-N 1 2 439.578 0.772 20 0 ICADLO C[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001557540090 1073057139 /nfs/dbraw/zinc/05/71/39/1073057139.db2.gz WYHXYUHWCRKTLN-IERDGZPVSA-N 1 2 439.578 0.772 20 0 ICADLO C[C@@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001557540091 1073056992 /nfs/dbraw/zinc/05/69/92/1073056992.db2.gz WYHXYUHWCRKTLN-IIBYNOLFSA-N 1 2 439.578 0.772 20 0 ICADLO C[C@@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001557540091 1073056984 /nfs/dbraw/zinc/05/69/84/1073056984.db2.gz WYHXYUHWCRKTLN-IIBYNOLFSA-N 1 2 439.578 0.772 20 0 ICADLO C[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001557540092 1073057105 /nfs/dbraw/zinc/05/71/05/1073057105.db2.gz WYHXYUHWCRKTLN-KKSFZXQISA-N 1 2 439.578 0.772 20 0 ICADLO C[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001557540092 1073057099 /nfs/dbraw/zinc/05/70/99/1073057099.db2.gz WYHXYUHWCRKTLN-KKSFZXQISA-N 1 2 439.578 0.772 20 0 ICADLO Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001557542696 1073057268 /nfs/dbraw/zinc/05/72/68/1073057268.db2.gz HBPKZADYXWLPGW-JOCHJYFZSA-N 1 2 427.505 0.827 20 0 ICADLO Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001557542696 1073057264 /nfs/dbraw/zinc/05/72/64/1073057264.db2.gz HBPKZADYXWLPGW-JOCHJYFZSA-N 1 2 427.505 0.827 20 0 ICADLO Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001557542705 1073057202 /nfs/dbraw/zinc/05/72/02/1073057202.db2.gz HBPKZADYXWLPGW-QFIPXVFZSA-N 1 2 427.505 0.827 20 0 ICADLO Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001557542705 1073057197 /nfs/dbraw/zinc/05/71/97/1073057197.db2.gz HBPKZADYXWLPGW-QFIPXVFZSA-N 1 2 427.505 0.827 20 0 ICADLO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001557543142 1073057346 /nfs/dbraw/zinc/05/73/46/1073057346.db2.gz IDJWSHWYETWBLS-NRFANRHFSA-N 1 2 437.562 0.781 20 0 ICADLO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001557543142 1073057338 /nfs/dbraw/zinc/05/73/38/1073057338.db2.gz IDJWSHWYETWBLS-NRFANRHFSA-N 1 2 437.562 0.781 20 0 ICADLO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001557543144 1073057055 /nfs/dbraw/zinc/05/70/55/1073057055.db2.gz IDJWSHWYETWBLS-OAQYLSRUSA-N 1 2 437.562 0.781 20 0 ICADLO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001557543144 1073057047 /nfs/dbraw/zinc/05/70/47/1073057047.db2.gz IDJWSHWYETWBLS-OAQYLSRUSA-N 1 2 437.562 0.781 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC001557544601 1073057644 /nfs/dbraw/zinc/05/76/44/1073057644.db2.gz PLJPNWMFDDIMMD-FCHUYYIVSA-N 1 2 436.553 0.609 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC001557544601 1073057639 /nfs/dbraw/zinc/05/76/39/1073057639.db2.gz PLJPNWMFDDIMMD-FCHUYYIVSA-N 1 2 436.553 0.609 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC001557544607 1073057767 /nfs/dbraw/zinc/05/77/67/1073057767.db2.gz PLJPNWMFDDIMMD-FGZHOGPDSA-N 1 2 436.553 0.609 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC001557544607 1073057762 /nfs/dbraw/zinc/05/77/62/1073057762.db2.gz PLJPNWMFDDIMMD-FGZHOGPDSA-N 1 2 436.553 0.609 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC001557544614 1073057743 /nfs/dbraw/zinc/05/77/43/1073057743.db2.gz PLJPNWMFDDIMMD-VXKWHMMOSA-N 1 2 436.553 0.609 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC001557544614 1073057738 /nfs/dbraw/zinc/05/77/38/1073057738.db2.gz PLJPNWMFDDIMMD-VXKWHMMOSA-N 1 2 436.553 0.609 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC001557544621 1073057726 /nfs/dbraw/zinc/05/77/26/1073057726.db2.gz PLJPNWMFDDIMMD-YADHBBJMSA-N 1 2 436.553 0.609 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC001557544621 1073057717 /nfs/dbraw/zinc/05/77/17/1073057717.db2.gz PLJPNWMFDDIMMD-YADHBBJMSA-N 1 2 436.553 0.609 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001557545586 1073057669 /nfs/dbraw/zinc/05/76/69/1073057669.db2.gz WHQVRQIQHNTGHT-MSYCTHLASA-N 1 2 447.532 0.490 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001557545586 1073057661 /nfs/dbraw/zinc/05/76/61/1073057661.db2.gz WHQVRQIQHNTGHT-MSYCTHLASA-N 1 2 447.532 0.490 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001557545587 1073058372 /nfs/dbraw/zinc/05/83/72/1073058372.db2.gz WHQVRQIQHNTGHT-SELNLUPBSA-N 1 2 447.532 0.490 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001557545587 1073058364 /nfs/dbraw/zinc/05/83/64/1073058364.db2.gz WHQVRQIQHNTGHT-SELNLUPBSA-N 1 2 447.532 0.490 20 0 ICADLO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001557545592 1073058209 /nfs/dbraw/zinc/05/82/09/1073058209.db2.gz WJGPZWIGQYGPJI-GHTZIAJQSA-N 1 2 432.500 0.636 20 0 ICADLO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001557545592 1073058204 /nfs/dbraw/zinc/05/82/04/1073058204.db2.gz WJGPZWIGQYGPJI-GHTZIAJQSA-N 1 2 432.500 0.636 20 0 ICADLO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001557545593 1073058486 /nfs/dbraw/zinc/05/84/86/1073058486.db2.gz WJGPZWIGQYGPJI-NQIIRXRSSA-N 1 2 432.500 0.636 20 0 ICADLO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001557545593 1073058474 /nfs/dbraw/zinc/05/84/74/1073058474.db2.gz WJGPZWIGQYGPJI-NQIIRXRSSA-N 1 2 432.500 0.636 20 0 ICADLO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001557545594 1073058455 /nfs/dbraw/zinc/05/84/55/1073058455.db2.gz WJGPZWIGQYGPJI-RXVVDRJESA-N 1 2 432.500 0.636 20 0 ICADLO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001557545594 1073058447 /nfs/dbraw/zinc/05/84/47/1073058447.db2.gz WJGPZWIGQYGPJI-RXVVDRJESA-N 1 2 432.500 0.636 20 0 ICADLO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001557545595 1073058231 /nfs/dbraw/zinc/05/82/31/1073058231.db2.gz WJGPZWIGQYGPJI-WIYYLYMNSA-N 1 2 432.500 0.636 20 0 ICADLO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001557545595 1073058224 /nfs/dbraw/zinc/05/82/24/1073058224.db2.gz WJGPZWIGQYGPJI-WIYYLYMNSA-N 1 2 432.500 0.636 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC001557545638 1073058314 /nfs/dbraw/zinc/05/83/14/1073058314.db2.gz XKVSBLXRQSFVGV-IBGZPJMESA-N 1 2 445.969 0.740 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC001557545638 1073058304 /nfs/dbraw/zinc/05/83/04/1073058304.db2.gz XKVSBLXRQSFVGV-IBGZPJMESA-N 1 2 445.969 0.740 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC001557545639 1073058112 /nfs/dbraw/zinc/05/81/12/1073058112.db2.gz XKVSBLXRQSFVGV-LJQANCHMSA-N 1 2 445.969 0.740 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC001557545639 1073058109 /nfs/dbraw/zinc/05/81/09/1073058109.db2.gz XKVSBLXRQSFVGV-LJQANCHMSA-N 1 2 445.969 0.740 20 0 ICADLO CC(C)NS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001557545668 1073058147 /nfs/dbraw/zinc/05/81/47/1073058147.db2.gz XWKUAKOVOMGMKV-FQEVSTJZSA-N 1 2 425.551 0.719 20 0 ICADLO CC(C)NS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001557545668 1073058144 /nfs/dbraw/zinc/05/81/44/1073058144.db2.gz XWKUAKOVOMGMKV-FQEVSTJZSA-N 1 2 425.551 0.719 20 0 ICADLO CC(C)NS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001557545669 1073058268 /nfs/dbraw/zinc/05/82/68/1073058268.db2.gz XWKUAKOVOMGMKV-HXUWFJFHSA-N 1 2 425.551 0.719 20 0 ICADLO CC(C)NS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001557545669 1073058255 /nfs/dbraw/zinc/05/82/55/1073058255.db2.gz XWKUAKOVOMGMKV-HXUWFJFHSA-N 1 2 425.551 0.719 20 0 ICADLO CC[N@@H+](CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC)Cc1ccccc1Cl ZINC001557575850 1073063298 /nfs/dbraw/zinc/06/32/98/1073063298.db2.gz GSRXLWJJYCNAJY-HOCLYGCPSA-N 1 2 436.896 0.856 20 0 ICADLO CC[N@H+](CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC)Cc1ccccc1Cl ZINC001557575850 1073063291 /nfs/dbraw/zinc/06/32/91/1073063291.db2.gz GSRXLWJJYCNAJY-HOCLYGCPSA-N 1 2 436.896 0.856 20 0 ICADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC001557577827 1073064006 /nfs/dbraw/zinc/06/40/06/1073064006.db2.gz RXZYYAUWGRLZON-GJZGRUSLSA-N 1 2 445.501 0.570 20 0 ICADLO CC(=O)N[C@](C)(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(S(C)(=O)=O)cc1 ZINC001557590343 1073065210 /nfs/dbraw/zinc/06/52/10/1073065210.db2.gz AYOYEBMVDSPYIO-IBGZPJMESA-N 1 2 439.534 0.006 20 0 ICADLO CC(=O)N[C@](C)(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(S(C)(=O)=O)cc1 ZINC001557590343 1073065204 /nfs/dbraw/zinc/06/52/04/1073065204.db2.gz AYOYEBMVDSPYIO-IBGZPJMESA-N 1 2 439.534 0.006 20 0 ICADLO CC(=O)N[C@@](C)(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(S(C)(=O)=O)cc1 ZINC001557590344 1073065759 /nfs/dbraw/zinc/06/57/59/1073065759.db2.gz AYOYEBMVDSPYIO-LJQANCHMSA-N 1 2 439.534 0.006 20 0 ICADLO CC(=O)N[C@@](C)(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(S(C)(=O)=O)cc1 ZINC001557590344 1073065747 /nfs/dbraw/zinc/06/57/47/1073065747.db2.gz AYOYEBMVDSPYIO-LJQANCHMSA-N 1 2 439.534 0.006 20 0 ICADLO CO[C@@H]1C[C@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)N(C(=O)OCc2ccccc2)C1 ZINC001557590547 1073065894 /nfs/dbraw/zinc/06/58/94/1073065894.db2.gz DPBSNCUHPAEEBB-RTBURBONSA-N 1 2 433.505 0.978 20 0 ICADLO CO[C@@H]1C[C@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)N(C(=O)OCc2ccccc2)C1 ZINC001557590547 1073065881 /nfs/dbraw/zinc/06/58/81/1073065881.db2.gz DPBSNCUHPAEEBB-RTBURBONSA-N 1 2 433.505 0.978 20 0 ICADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC001557590857 1073065654 /nfs/dbraw/zinc/06/56/54/1073065654.db2.gz KNJQQLDUKKDAFM-UHFFFAOYSA-N 1 2 435.502 0.937 20 0 ICADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC001557590857 1073065636 /nfs/dbraw/zinc/06/56/36/1073065636.db2.gz KNJQQLDUKKDAFM-UHFFFAOYSA-N 1 2 435.502 0.937 20 0 ICADLO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001557591480 1073065731 /nfs/dbraw/zinc/06/57/31/1073065731.db2.gz QAYWFGDYMLJLSO-KRWDZBQOSA-N 1 2 443.591 0.652 20 0 ICADLO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001557591480 1073065721 /nfs/dbraw/zinc/06/57/21/1073065721.db2.gz QAYWFGDYMLJLSO-KRWDZBQOSA-N 1 2 443.591 0.652 20 0 ICADLO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001557591481 1073065922 /nfs/dbraw/zinc/06/59/22/1073065922.db2.gz QAYWFGDYMLJLSO-QGZVFWFLSA-N 1 2 443.591 0.652 20 0 ICADLO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001557591481 1073065913 /nfs/dbraw/zinc/06/59/13/1073065913.db2.gz QAYWFGDYMLJLSO-QGZVFWFLSA-N 1 2 443.591 0.652 20 0 ICADLO CCn1c(=O)[nH]c(=O)c2c(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)cc(C(C)C)nc21 ZINC001557591521 1073065676 /nfs/dbraw/zinc/06/56/76/1073065676.db2.gz RACZIZZTQBQJFZ-UHFFFAOYSA-N 1 2 431.493 0.819 20 0 ICADLO CCn1c(=O)[nH]c(=O)c2c(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)cc(C(C)C)nc21 ZINC001557591521 1073065667 /nfs/dbraw/zinc/06/56/67/1073065667.db2.gz RACZIZZTQBQJFZ-UHFFFAOYSA-N 1 2 431.493 0.819 20 0 ICADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC001557591750 1073065856 /nfs/dbraw/zinc/06/58/56/1073065856.db2.gz SPPUCKSSFADRPD-UHFFFAOYSA-N 1 2 441.550 0.904 20 0 ICADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC001557591750 1073065852 /nfs/dbraw/zinc/06/58/52/1073065852.db2.gz SPPUCKSSFADRPD-UHFFFAOYSA-N 1 2 441.550 0.904 20 0 ICADLO CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001557592422 1073065623 /nfs/dbraw/zinc/06/56/23/1073065623.db2.gz XKGOUYSFCYHGEC-DLBZAZTESA-N 1 2 440.585 0.777 20 0 ICADLO CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001557592422 1073065620 /nfs/dbraw/zinc/06/56/20/1073065620.db2.gz XKGOUYSFCYHGEC-DLBZAZTESA-N 1 2 440.585 0.777 20 0 ICADLO CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001557592424 1073065787 /nfs/dbraw/zinc/06/57/87/1073065787.db2.gz XKGOUYSFCYHGEC-IAGOWNOFSA-N 1 2 440.585 0.777 20 0 ICADLO CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001557592424 1073065778 /nfs/dbraw/zinc/06/57/78/1073065778.db2.gz XKGOUYSFCYHGEC-IAGOWNOFSA-N 1 2 440.585 0.777 20 0 ICADLO CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001557592428 1073065595 /nfs/dbraw/zinc/06/55/95/1073065595.db2.gz XKGOUYSFCYHGEC-IRXDYDNUSA-N 1 2 440.585 0.777 20 0 ICADLO CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001557592428 1073065591 /nfs/dbraw/zinc/06/55/91/1073065591.db2.gz XKGOUYSFCYHGEC-IRXDYDNUSA-N 1 2 440.585 0.777 20 0 ICADLO CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001557592431 1073065544 /nfs/dbraw/zinc/06/55/44/1073065544.db2.gz XKGOUYSFCYHGEC-SJORKVTESA-N 1 2 440.585 0.777 20 0 ICADLO CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001557592431 1073065533 /nfs/dbraw/zinc/06/55/33/1073065533.db2.gz XKGOUYSFCYHGEC-SJORKVTESA-N 1 2 440.585 0.777 20 0 ICADLO COc1cc(N2C[C@@H](C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2=O)cc(OC)c1OC ZINC001557592836 1073065825 /nfs/dbraw/zinc/06/58/25/1073065825.db2.gz ZEKMDXGATDFSLC-HNNXBMFYSA-N 1 2 449.504 0.630 20 0 ICADLO COc1cc(N2C[C@@H](C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2=O)cc(OC)c1OC ZINC001557592836 1073065816 /nfs/dbraw/zinc/06/58/16/1073065816.db2.gz ZEKMDXGATDFSLC-HNNXBMFYSA-N 1 2 449.504 0.630 20 0 ICADLO COc1cc(N2C[C@H](C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2=O)cc(OC)c1OC ZINC001557592839 1073065703 /nfs/dbraw/zinc/06/57/03/1073065703.db2.gz ZEKMDXGATDFSLC-OAHLLOKOSA-N 1 2 449.504 0.630 20 0 ICADLO COc1cc(N2C[C@H](C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2=O)cc(OC)c1OC ZINC001557592839 1073065694 /nfs/dbraw/zinc/06/56/94/1073065694.db2.gz ZEKMDXGATDFSLC-OAHLLOKOSA-N 1 2 449.504 0.630 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CNc2ccc(S(N)(=O)=O)cc2F)C1 ZINC001557680119 1073072320 /nfs/dbraw/zinc/07/23/20/1073072320.db2.gz BAQKPBNFTMTUTD-KRWDZBQOSA-N 1 2 449.552 0.817 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CNc2ccc(S(N)(=O)=O)cc2F)C1 ZINC001557680119 1073072307 /nfs/dbraw/zinc/07/23/07/1073072307.db2.gz BAQKPBNFTMTUTD-KRWDZBQOSA-N 1 2 449.552 0.817 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CNc2ccc(S(N)(=O)=O)cc2F)C1 ZINC001557680120 1073072093 /nfs/dbraw/zinc/07/20/93/1073072093.db2.gz BAQKPBNFTMTUTD-QGZVFWFLSA-N 1 2 449.552 0.817 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CNc2ccc(S(N)(=O)=O)cc2F)C1 ZINC001557680120 1073072082 /nfs/dbraw/zinc/07/20/82/1073072082.db2.gz BAQKPBNFTMTUTD-QGZVFWFLSA-N 1 2 449.552 0.817 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1 ZINC001557680603 1073072853 /nfs/dbraw/zinc/07/28/53/1073072853.db2.gz OFJHJARHROAMFA-INIZCTEOSA-N 1 2 439.520 0.227 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1 ZINC001557680603 1073072844 /nfs/dbraw/zinc/07/28/44/1073072844.db2.gz OFJHJARHROAMFA-INIZCTEOSA-N 1 2 439.520 0.227 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1 ZINC001557680604 1073072726 /nfs/dbraw/zinc/07/27/26/1073072726.db2.gz OFJHJARHROAMFA-MRXNPFEDSA-N 1 2 439.520 0.227 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1 ZINC001557680604 1073072713 /nfs/dbraw/zinc/07/27/13/1073072713.db2.gz OFJHJARHROAMFA-MRXNPFEDSA-N 1 2 439.520 0.227 20 0 ICADLO CN(CC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1)S(=O)(=O)c1cccnc1 ZINC001557682147 1073072788 /nfs/dbraw/zinc/07/27/88/1073072788.db2.gz GHRGFZSQJHMOPS-IBGZPJMESA-N 1 2 431.562 0.635 20 0 ICADLO CN(CC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1)S(=O)(=O)c1cccnc1 ZINC001557682147 1073072782 /nfs/dbraw/zinc/07/27/82/1073072782.db2.gz GHRGFZSQJHMOPS-IBGZPJMESA-N 1 2 431.562 0.635 20 0 ICADLO CN(CC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1)S(=O)(=O)c1cccnc1 ZINC001557682150 1073072649 /nfs/dbraw/zinc/07/26/49/1073072649.db2.gz GHRGFZSQJHMOPS-LJQANCHMSA-N 1 2 431.562 0.635 20 0 ICADLO CN(CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1)S(=O)(=O)c1cccnc1 ZINC001557682150 1073072640 /nfs/dbraw/zinc/07/26/40/1073072640.db2.gz GHRGFZSQJHMOPS-LJQANCHMSA-N 1 2 431.562 0.635 20 0 ICADLO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N[C@H]1CCn2c[nH+]cc21 ZINC001557693385 1073074052 /nfs/dbraw/zinc/07/40/52/1073074052.db2.gz NTFUOGACDLDERU-KRWDZBQOSA-N 1 2 449.508 0.897 20 0 ICADLO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N[C@@H]1CCn2c[nH+]cc21 ZINC001557693387 1073074069 /nfs/dbraw/zinc/07/40/69/1073074069.db2.gz NTFUOGACDLDERU-QGZVFWFLSA-N 1 2 449.508 0.897 20 0 ICADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC001557693786 1073074094 /nfs/dbraw/zinc/07/40/94/1073074094.db2.gz DHTNGRZXMAICKP-DZGCQCFKSA-N 1 2 434.474 0.207 20 0 ICADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC001557693790 1073073913 /nfs/dbraw/zinc/07/39/13/1073073913.db2.gz DHTNGRZXMAICKP-HIFRSBDPSA-N 1 2 434.474 0.207 20 0 ICADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC001557693792 1073074149 /nfs/dbraw/zinc/07/41/49/1073074149.db2.gz DHTNGRZXMAICKP-UKRRQHHQSA-N 1 2 434.474 0.207 20 0 ICADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC001557693795 1073074111 /nfs/dbraw/zinc/07/41/11/1073074111.db2.gz DHTNGRZXMAICKP-ZFWWWQNUSA-N 1 2 434.474 0.207 20 0 ICADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc(I)cc1-n1cnnn1 ZINC001557694213 1073074126 /nfs/dbraw/zinc/07/41/26/1073074126.db2.gz IFTRSEISWILWCL-LLVKDONJSA-N 1 2 439.217 0.464 20 0 ICADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(I)cc1-n1cnnn1 ZINC001557694215 1073073989 /nfs/dbraw/zinc/07/39/89/1073073989.db2.gz IFTRSEISWILWCL-NSHDSACASA-N 1 2 439.217 0.464 20 0 ICADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001557694537 1073074080 /nfs/dbraw/zinc/07/40/80/1073074080.db2.gz KKDPXGNLTQFWFD-CYBMUJFWSA-N 1 2 428.536 0.338 20 0 ICADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001557694538 1073074039 /nfs/dbraw/zinc/07/40/39/1073074039.db2.gz KKDPXGNLTQFWFD-ZDUSSCGKSA-N 1 2 428.536 0.338 20 0 ICADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC001557694680 1073074610 /nfs/dbraw/zinc/07/46/10/1073074610.db2.gz LRWRDRZRYGMCRT-INIZCTEOSA-N 1 2 428.461 0.949 20 0 ICADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC001557694682 1073074320 /nfs/dbraw/zinc/07/43/20/1073074320.db2.gz LRWRDRZRYGMCRT-MRXNPFEDSA-N 1 2 428.461 0.949 20 0 ICADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC001557694854 1073074591 /nfs/dbraw/zinc/07/45/91/1073074591.db2.gz OHEQGXNMNLCKKJ-CABCVRRESA-N 1 2 442.925 0.456 20 0 ICADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC001557694855 1073074542 /nfs/dbraw/zinc/07/45/42/1073074542.db2.gz OHEQGXNMNLCKKJ-GJZGRUSLSA-N 1 2 442.925 0.456 20 0 ICADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC001557694857 1073074556 /nfs/dbraw/zinc/07/45/56/1073074556.db2.gz OHEQGXNMNLCKKJ-HUUCEWRRSA-N 1 2 442.925 0.456 20 0 ICADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC001557694859 1073074663 /nfs/dbraw/zinc/07/46/63/1073074663.db2.gz OHEQGXNMNLCKKJ-LSDHHAIUSA-N 1 2 442.925 0.456 20 0 ICADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC001557694892 1073074570 /nfs/dbraw/zinc/07/45/70/1073074570.db2.gz ORTJYANGIJYEJZ-HNNXBMFYSA-N 1 2 428.461 0.949 20 0 ICADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC001557694894 1073074289 /nfs/dbraw/zinc/07/42/89/1073074289.db2.gz ORTJYANGIJYEJZ-OAHLLOKOSA-N 1 2 428.461 0.949 20 0 ICADLO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001557695501 1073074303 /nfs/dbraw/zinc/07/43/03/1073074303.db2.gz UTDPMPFDUYLARE-CVEARBPZSA-N 1 2 426.564 0.978 20 0 ICADLO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001557695516 1073074429 /nfs/dbraw/zinc/07/44/29/1073074429.db2.gz UTDPMPFDUYLARE-HOTGVXAUSA-N 1 2 426.564 0.978 20 0 ICADLO CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001557695518 1073074364 /nfs/dbraw/zinc/07/43/64/1073074364.db2.gz UTDPMPFDUYLARE-HZPDHXFCSA-N 1 2 426.564 0.978 20 0 ICADLO CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001557695520 1073074390 /nfs/dbraw/zinc/07/43/90/1073074390.db2.gz UTDPMPFDUYLARE-JKSUJKDBSA-N 1 2 426.564 0.978 20 0 ICADLO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC(C)(C)n3cc[nH+]c3)cc2)CC1 ZINC001557696829 1073074825 /nfs/dbraw/zinc/07/48/25/1073074825.db2.gz MDDUNKPYMLITHK-UHFFFAOYSA-N 1 2 433.534 0.901 20 0 ICADLO Cc1c(NC(=O)CSCC(=O)N2CC[N@@H+](C)C[C@H]2CO)c(=O)n(-c2ccccc2)n1C ZINC001557711234 1073076045 /nfs/dbraw/zinc/07/60/45/1073076045.db2.gz JRNOIDBZSCSRHD-KRWDZBQOSA-N 1 2 447.561 0.291 20 0 ICADLO Cc1c(NC(=O)CSCC(=O)N2CC[N@H+](C)C[C@H]2CO)c(=O)n(-c2ccccc2)n1C ZINC001557711234 1073076034 /nfs/dbraw/zinc/07/60/34/1073076034.db2.gz JRNOIDBZSCSRHD-KRWDZBQOSA-N 1 2 447.561 0.291 20 0 ICADLO Cc1c(NC(=O)CSCC(=O)N2CC[N@@H+](C)C[C@@H]2CO)c(=O)n(-c2ccccc2)n1C ZINC001557711238 1073075862 /nfs/dbraw/zinc/07/58/62/1073075862.db2.gz JRNOIDBZSCSRHD-QGZVFWFLSA-N 1 2 447.561 0.291 20 0 ICADLO Cc1c(NC(=O)CSCC(=O)N2CC[N@H+](C)C[C@@H]2CO)c(=O)n(-c2ccccc2)n1C ZINC001557711238 1073075854 /nfs/dbraw/zinc/07/58/54/1073075854.db2.gz JRNOIDBZSCSRHD-QGZVFWFLSA-N 1 2 447.561 0.291 20 0 ICADLO CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[N@@H+](C)C[C@H]3CO)c2)CC1 ZINC001557711748 1073076002 /nfs/dbraw/zinc/07/60/02/1073076002.db2.gz PPKQNDPUWZPQBM-HNNXBMFYSA-N 1 2 444.985 0.415 20 0 ICADLO CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[N@H+](C)C[C@H]3CO)c2)CC1 ZINC001557711748 1073075990 /nfs/dbraw/zinc/07/59/90/1073075990.db2.gz PPKQNDPUWZPQBM-HNNXBMFYSA-N 1 2 444.985 0.415 20 0 ICADLO CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[N@@H+](C)C[C@@H]3CO)c2)CC1 ZINC001557711749 1073075775 /nfs/dbraw/zinc/07/57/75/1073075775.db2.gz PPKQNDPUWZPQBM-OAHLLOKOSA-N 1 2 444.985 0.415 20 0 ICADLO CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[N@H+](C)C[C@@H]3CO)c2)CC1 ZINC001557711749 1073075765 /nfs/dbraw/zinc/07/57/65/1073075765.db2.gz PPKQNDPUWZPQBM-OAHLLOKOSA-N 1 2 444.985 0.415 20 0 ICADLO CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC001557729005 1073077945 /nfs/dbraw/zinc/07/79/45/1073077945.db2.gz DLCWJDDNVSWTEF-RDJZCZTQSA-N 1 2 425.555 0.558 20 0 ICADLO CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC001557729005 1073077935 /nfs/dbraw/zinc/07/79/35/1073077935.db2.gz DLCWJDDNVSWTEF-RDJZCZTQSA-N 1 2 425.555 0.558 20 0 ICADLO CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC001557729006 1073077764 /nfs/dbraw/zinc/07/77/64/1073077764.db2.gz DLCWJDDNVSWTEF-WBVHZDCISA-N 1 2 425.555 0.558 20 0 ICADLO CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC001557729006 1073077749 /nfs/dbraw/zinc/07/77/49/1073077749.db2.gz DLCWJDDNVSWTEF-WBVHZDCISA-N 1 2 425.555 0.558 20 0 ICADLO O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001557744658 1073079266 /nfs/dbraw/zinc/07/92/66/1073079266.db2.gz ACEUDRRFSNXKHO-IBGZPJMESA-N 1 2 437.562 0.647 20 0 ICADLO O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001557744659 1073079098 /nfs/dbraw/zinc/07/90/98/1073079098.db2.gz ACEUDRRFSNXKHO-LJQANCHMSA-N 1 2 437.562 0.647 20 0 ICADLO O=C([C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001557745033 1073079504 /nfs/dbraw/zinc/07/95/04/1073079504.db2.gz DPMSPODYWLZROJ-NEWSRXKRSA-N 1 2 437.537 0.528 20 0 ICADLO O=C([C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001557745034 1073079458 /nfs/dbraw/zinc/07/94/58/1073079458.db2.gz DPMSPODYWLZROJ-NZSAHSFTSA-N 1 2 437.537 0.528 20 0 ICADLO O=C([C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001557745035 1073079551 /nfs/dbraw/zinc/07/95/51/1073079551.db2.gz DPMSPODYWLZROJ-WDSOQIARSA-N 1 2 437.537 0.528 20 0 ICADLO O=C([C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001557745036 1073079630 /nfs/dbraw/zinc/07/96/30/1073079630.db2.gz DPMSPODYWLZROJ-YTQUADARSA-N 1 2 437.537 0.528 20 0 ICADLO CC(C)(C)OC(=O)N(CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)C[C@H]1CCCO1 ZINC001557745184 1073079580 /nfs/dbraw/zinc/07/95/80/1073079580.db2.gz GMGNVNKTOLSGBB-MSOLQXFVSA-N 1 2 427.542 0.962 20 0 ICADLO CC(C)(C)OC(=O)N(CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)C[C@H]1CCCO1 ZINC001557745186 1073079490 /nfs/dbraw/zinc/07/94/90/1073079490.db2.gz GMGNVNKTOLSGBB-QZTJIDSGSA-N 1 2 427.542 0.962 20 0 ICADLO CC(C)(C)OC(=O)N(CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)C[C@@H]1CCCO1 ZINC001557745188 1073079529 /nfs/dbraw/zinc/07/95/29/1073079529.db2.gz GMGNVNKTOLSGBB-ROUUACIJSA-N 1 2 427.542 0.962 20 0 ICADLO CC(C)(C)OC(=O)N(CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)C[C@@H]1CCCO1 ZINC001557745190 1073079597 /nfs/dbraw/zinc/07/95/97/1073079597.db2.gz GMGNVNKTOLSGBB-ZWKOTPCHSA-N 1 2 427.542 0.962 20 0 ICADLO COc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](C[NH+]4CCOCC4)C3)CC2=O)c(OC)c1 ZINC001557745890 1073080179 /nfs/dbraw/zinc/08/01/79/1073080179.db2.gz MZKJHHYHPWWYJI-AEFFLSMTSA-N 1 2 433.505 0.616 20 0 ICADLO COc1ccc(N2C[C@@H](C(=O)N3CCO[C@H](C[NH+]4CCOCC4)C3)CC2=O)c(OC)c1 ZINC001557745891 1073079946 /nfs/dbraw/zinc/07/99/46/1073079946.db2.gz MZKJHHYHPWWYJI-FUHWJXTLSA-N 1 2 433.505 0.616 20 0 ICADLO COc1ccc(N2C[C@H](C(=O)N3CCO[C@H](C[NH+]4CCOCC4)C3)CC2=O)c(OC)c1 ZINC001557745892 1073079872 /nfs/dbraw/zinc/07/98/72/1073079872.db2.gz MZKJHHYHPWWYJI-SJLPKXTDSA-N 1 2 433.505 0.616 20 0 ICADLO COc1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](C[NH+]4CCOCC4)C3)CC2=O)c(OC)c1 ZINC001557745893 1073080007 /nfs/dbraw/zinc/08/00/07/1073080007.db2.gz MZKJHHYHPWWYJI-WMZOPIPTSA-N 1 2 433.505 0.616 20 0 ICADLO O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001557746239 1073079854 /nfs/dbraw/zinc/07/98/54/1073079854.db2.gz QVSKBVFNFQBGBX-CVEARBPZSA-N 1 2 429.564 0.461 20 0 ICADLO O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001557746240 1073079919 /nfs/dbraw/zinc/07/99/19/1073079919.db2.gz QVSKBVFNFQBGBX-HOTGVXAUSA-N 1 2 429.564 0.461 20 0 ICADLO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001557746241 1073080153 /nfs/dbraw/zinc/08/01/53/1073080153.db2.gz QVSKBVFNFQBGBX-HZPDHXFCSA-N 1 2 429.564 0.461 20 0 ICADLO O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001557746243 1073079902 /nfs/dbraw/zinc/07/99/02/1073079902.db2.gz QVSKBVFNFQBGBX-JKSUJKDBSA-N 1 2 429.564 0.461 20 0 ICADLO CC[C@H](Sc1nc(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cs1)C(N)=O ZINC001557746408 1073080206 /nfs/dbraw/zinc/08/02/06/1073080206.db2.gz SOVHEUIQUPXURS-CABCVRRESA-N 1 2 428.580 0.601 20 0 ICADLO CC[C@H](Sc1nc(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cs1)C(N)=O ZINC001557746409 1073079936 /nfs/dbraw/zinc/07/99/36/1073079936.db2.gz SOVHEUIQUPXURS-GJZGRUSLSA-N 1 2 428.580 0.601 20 0 ICADLO CC[C@@H](Sc1nc(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cs1)C(N)=O ZINC001557746410 1073079988 /nfs/dbraw/zinc/07/99/88/1073079988.db2.gz SOVHEUIQUPXURS-HUUCEWRRSA-N 1 2 428.580 0.601 20 0 ICADLO CC[C@@H](Sc1nc(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cs1)C(N)=O ZINC001557746411 1073080093 /nfs/dbraw/zinc/08/00/93/1073080093.db2.gz SOVHEUIQUPXURS-LSDHHAIUSA-N 1 2 428.580 0.601 20 0 ICADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC001557746741 1073079830 /nfs/dbraw/zinc/07/98/30/1073079830.db2.gz WXGWUGJKHXNNNJ-GOSISDBHSA-N 1 2 425.551 0.484 20 0 ICADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC001557746745 1073079968 /nfs/dbraw/zinc/07/99/68/1073079968.db2.gz WXGWUGJKHXNNNJ-SFHVURJKSA-N 1 2 425.551 0.484 20 0 ICADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC001557746772 1073080054 /nfs/dbraw/zinc/08/00/54/1073080054.db2.gz XDUFYELQDHNMQL-AOMKIAJQSA-N 1 2 446.504 0.022 20 0 ICADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC001557746774 1073080531 /nfs/dbraw/zinc/08/05/31/1073080531.db2.gz XDUFYELQDHNMQL-KSFYIVLOSA-N 1 2 446.504 0.022 20 0 ICADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC001557746777 1073080660 /nfs/dbraw/zinc/08/06/60/1073080660.db2.gz XDUFYELQDHNMQL-OPAMFIHVSA-N 1 2 446.504 0.022 20 0 ICADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC001557746779 1073080605 /nfs/dbraw/zinc/08/06/05/1073080605.db2.gz XDUFYELQDHNMQL-ZHRRBRCNSA-N 1 2 446.504 0.022 20 0 ICADLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCO[C@H](C[NH+]3CCOCC3)C1)C2=O ZINC001557747025 1073080380 /nfs/dbraw/zinc/08/03/80/1073080380.db2.gz ZJTUGWPIRSLLML-DRSNIGMVSA-N 1 2 436.553 0.683 20 0 ICADLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCO[C@@H](C[NH+]3CCOCC3)C1)C2=O ZINC001557747026 1073080441 /nfs/dbraw/zinc/08/04/41/1073080441.db2.gz ZJTUGWPIRSLLML-HYFFOGBASA-N 1 2 436.553 0.683 20 0 ICADLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCO[C@@H](C[NH+]3CCOCC3)C1)C2=O ZINC001557747027 1073080702 /nfs/dbraw/zinc/08/07/02/1073080702.db2.gz ZJTUGWPIRSLLML-JLHGSKIFSA-N 1 2 436.553 0.683 20 0 ICADLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCO[C@H](C[NH+]3CCOCC3)C1)C2=O ZINC001557747028 1073080391 /nfs/dbraw/zinc/08/03/91/1073080391.db2.gz ZJTUGWPIRSLLML-YVHKJVDXSA-N 1 2 436.553 0.683 20 0 ICADLO NC(=O)CS(=O)(=O)c1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC001557764377 1073081759 /nfs/dbraw/zinc/08/17/59/1073081759.db2.gz GRVBLIWHQSFXIT-UHFFFAOYSA-N 1 2 434.543 0.824 20 0 ICADLO NS(=O)(=O)c1nc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)n2ccccc12 ZINC001557764624 1073082198 /nfs/dbraw/zinc/08/21/98/1073082198.db2.gz HWMNMNGURMRCRQ-UHFFFAOYSA-N 1 2 432.531 0.860 20 0 ICADLO Cn1c2[nH]c(CCC(=O)NCc3cc[nH+]c(N4CCSCC4)c3)nc2c(=O)[nH]c1=O ZINC001557765091 1073082339 /nfs/dbraw/zinc/08/23/39/1073082339.db2.gz MTKQNOADIQNGNV-UHFFFAOYSA-N 1 2 429.506 0.559 20 0 ICADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001557765423 1073082059 /nfs/dbraw/zinc/08/20/59/1073082059.db2.gz PQUIORHYURNNPK-UHFFFAOYSA-N 1 2 443.595 0.085 20 0 ICADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NCCOC)c2)C1 ZINC001557812792 1073086501 /nfs/dbraw/zinc/08/65/01/1073086501.db2.gz UWCLKZUOZQMNFU-HNNXBMFYSA-N 1 2 427.523 0.825 20 0 ICADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NCCOC)c2)C1 ZINC001557812792 1073086489 /nfs/dbraw/zinc/08/64/89/1073086489.db2.gz UWCLKZUOZQMNFU-HNNXBMFYSA-N 1 2 427.523 0.825 20 0 ICADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NCCOC)c2)C1 ZINC001557812793 1073086300 /nfs/dbraw/zinc/08/63/00/1073086300.db2.gz UWCLKZUOZQMNFU-OAHLLOKOSA-N 1 2 427.523 0.825 20 0 ICADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NCCOC)c2)C1 ZINC001557812793 1073086290 /nfs/dbraw/zinc/08/62/90/1073086290.db2.gz UWCLKZUOZQMNFU-OAHLLOKOSA-N 1 2 427.523 0.825 20 0 ICADLO COc1cccc([C@@H]2CN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC[NH2+]2)c1 ZINC001557823143 1073087697 /nfs/dbraw/zinc/08/76/97/1073087697.db2.gz VVNNZCGPLUYUEB-MOPGFXCFSA-N 1 2 428.464 0.981 20 0 ICADLO COc1cccc([C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC[NH2+]2)c1 ZINC001557823144 1073087767 /nfs/dbraw/zinc/08/77/67/1073087767.db2.gz VVNNZCGPLUYUEB-OALUTQOASA-N 1 2 428.464 0.981 20 0 ICADLO COc1cccc([C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC[NH2+]2)c1 ZINC001557823145 1073087863 /nfs/dbraw/zinc/08/78/63/1073087863.db2.gz VVNNZCGPLUYUEB-RBUKOAKNSA-N 1 2 428.464 0.981 20 0 ICADLO COc1cccc([C@H]2CN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC[NH2+]2)c1 ZINC001557823146 1073087802 /nfs/dbraw/zinc/08/78/02/1073087802.db2.gz VVNNZCGPLUYUEB-RTBURBONSA-N 1 2 428.464 0.981 20 0 ICADLO O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001557831297 1073088125 /nfs/dbraw/zinc/08/81/25/1073088125.db2.gz CVEQJNFQVNTJTQ-JTQLQIEISA-N 1 2 434.341 0.685 20 0 ICADLO O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001557831299 1073088779 /nfs/dbraw/zinc/08/87/79/1073088779.db2.gz CVEQJNFQVNTJTQ-SNVBAGLBSA-N 1 2 434.341 0.685 20 0 ICADLO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH2+][C@H](c4cn[nH]c4)C3)CC2)cc1 ZINC001557831634 1073088849 /nfs/dbraw/zinc/08/88/49/1073088849.db2.gz HWHZIVOWVNJDET-IBGZPJMESA-N 1 2 433.534 0.992 20 0 ICADLO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH2+][C@@H](c4cn[nH]c4)C3)CC2)cc1 ZINC001557831635 1073088626 /nfs/dbraw/zinc/08/86/26/1073088626.db2.gz HWHZIVOWVNJDET-LJQANCHMSA-N 1 2 433.534 0.992 20 0 ICADLO O=C(CNC(=O)c1ccccc1I)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001557831846 1073088905 /nfs/dbraw/zinc/08/89/05/1073088905.db2.gz JLYCETZWTPNOLA-AWEZNQCLSA-N 1 2 439.257 0.917 20 0 ICADLO O=C(CNC(=O)c1ccccc1I)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001557831848 1073088690 /nfs/dbraw/zinc/08/86/90/1073088690.db2.gz JLYCETZWTPNOLA-CQSZACIVSA-N 1 2 439.257 0.917 20 0 ICADLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001557832361 1073088657 /nfs/dbraw/zinc/08/86/57/1073088657.db2.gz CVOJPYHEFXMMGT-GOSISDBHSA-N 1 2 433.534 0.536 20 0 ICADLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001557832362 1073088545 /nfs/dbraw/zinc/08/85/45/1073088545.db2.gz CVOJPYHEFXMMGT-SFHVURJKSA-N 1 2 433.534 0.536 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C\c3ccc(C(N)=O)cc3)CC[NH2+]2)cn1 ZINC001557832363 1073088717 /nfs/dbraw/zinc/08/87/17/1073088717.db2.gz CWTLLFIYXLCCQN-AWPWWVNJSA-N 1 2 436.516 0.696 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(C(N)=O)cc3)CC[NH2+]2)cn1 ZINC001557832364 1073088750 /nfs/dbraw/zinc/08/87/50/1073088750.db2.gz CWTLLFIYXLCCQN-IECUYZFFSA-N 1 2 436.516 0.696 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)/C=C\c3ccc(C(N)=O)cc3)CC[NH2+]2)cn1 ZINC001557832365 1073088456 /nfs/dbraw/zinc/08/84/56/1073088456.db2.gz CWTLLFIYXLCCQN-JRDMDSSDSA-N 1 2 436.516 0.696 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3ccc(C(N)=O)cc3)CC[NH2+]2)cn1 ZINC001557832366 1073088584 /nfs/dbraw/zinc/08/85/84/1073088584.db2.gz CWTLLFIYXLCCQN-XCBOUCJHSA-N 1 2 436.516 0.696 20 0 ICADLO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CC[NH2+][C@@H](c4cnn(C)c4)C3)n(C)c2)C1 ZINC001557833158 1073089080 /nfs/dbraw/zinc/08/90/80/1073089080.db2.gz MNYZOBMYLNFFQM-CRAIPNDOSA-N 1 2 434.566 0.966 20 0 ICADLO C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CC[NH2+][C@@H](c4cnn(C)c4)C3)n(C)c2)C1 ZINC001557833159 1073089269 /nfs/dbraw/zinc/08/92/69/1073089269.db2.gz MNYZOBMYLNFFQM-MAUKXSAKSA-N 1 2 434.566 0.966 20 0 ICADLO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CC[NH2+][C@H](c4cnn(C)c4)C3)n(C)c2)C1 ZINC001557833160 1073089106 /nfs/dbraw/zinc/08/91/06/1073089106.db2.gz MNYZOBMYLNFFQM-QAPCUYQASA-N 1 2 434.566 0.966 20 0 ICADLO C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CC[NH2+][C@H](c4cnn(C)c4)C3)n(C)c2)C1 ZINC001557833161 1073089292 /nfs/dbraw/zinc/08/92/92/1073089292.db2.gz MNYZOBMYLNFFQM-YJBOKZPZSA-N 1 2 434.566 0.966 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)CCCNS(=O)(=O)c3ccc4c(c3)OCCO4)CC[NH2+]2)cn1 ZINC001557833797 1073089356 /nfs/dbraw/zinc/08/93/56/1073089356.db2.gz QBWZRRKISNRISA-KRWDZBQOSA-N 1 2 449.533 0.423 20 0 ICADLO Cn1cc([C@H]2CN(C(=O)CCCNS(=O)(=O)c3ccc4c(c3)OCCO4)CC[NH2+]2)cn1 ZINC001557833798 1073089184 /nfs/dbraw/zinc/08/91/84/1073089184.db2.gz QBWZRRKISNRISA-QGZVFWFLSA-N 1 2 449.533 0.423 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCC(O)CC4)cc3)CC[NH2+]2)cn1 ZINC001557834323 1073089953 /nfs/dbraw/zinc/08/99/53/1073089953.db2.gz USSJWQANIKHEJH-IBGZPJMESA-N 1 2 433.534 0.352 20 0 ICADLO Cn1cc([C@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCC(O)CC4)cc3)CC[NH2+]2)cn1 ZINC001557834324 1073089807 /nfs/dbraw/zinc/08/98/07/1073089807.db2.gz USSJWQANIKHEJH-LJQANCHMSA-N 1 2 433.534 0.352 20 0 ICADLO CCc1ccc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001557834537 1073089632 /nfs/dbraw/zinc/08/96/32/1073089632.db2.gz XJRIXHCFRZMLLQ-IBGZPJMESA-N 1 2 447.561 0.790 20 0 ICADLO CCc1ccc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001557834538 1073089738 /nfs/dbraw/zinc/08/97/38/1073089738.db2.gz XJRIXHCFRZMLLQ-LJQANCHMSA-N 1 2 447.561 0.790 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)[C@H](CCC(N)=O)NC(=O)CCCc3ccccc3)CC[NH2+]2)cn1 ZINC001557834580 1073089712 /nfs/dbraw/zinc/08/97/12/1073089712.db2.gz YEDZHZYGUYMKOS-PMACEKPBSA-N 1 2 440.548 0.666 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc3ccccc3)CC[NH2+]2)cn1 ZINC001557834581 1073089604 /nfs/dbraw/zinc/08/96/04/1073089604.db2.gz YEDZHZYGUYMKOS-UXHICEINSA-N 1 2 440.548 0.666 20 0 ICADLO Cn1cc([C@H]2CN(C(=O)[C@H](CCC(N)=O)NC(=O)CCCc3ccccc3)CC[NH2+]2)cn1 ZINC001557834582 1073089670 /nfs/dbraw/zinc/08/96/70/1073089670.db2.gz YEDZHZYGUYMKOS-VQTJNVASSA-N 1 2 440.548 0.666 20 0 ICADLO Cn1cc([C@H]2CN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc3ccccc3)CC[NH2+]2)cn1 ZINC001557834583 1073089829 /nfs/dbraw/zinc/08/98/29/1073089829.db2.gz YEDZHZYGUYMKOS-WOJBJXKFSA-N 1 2 440.548 0.666 20 0 ICADLO O=C(NCCCN1CCCS1(=O)=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001557839943 1073089523 /nfs/dbraw/zinc/08/95/23/1073089523.db2.gz VOEYXLKXVSKPOK-KRWDZBQOSA-N 1 2 425.555 0.559 20 0 ICADLO O=C(NCCCN1CCCS1(=O)=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001557839943 1073089509 /nfs/dbraw/zinc/08/95/09/1073089509.db2.gz VOEYXLKXVSKPOK-KRWDZBQOSA-N 1 2 425.555 0.559 20 0 ICADLO C[C@H](C(=O)N1CCN(c2ncc(I)cn2)CC1)[NH+]1CCN(C)CC1 ZINC001557852425 1073091198 /nfs/dbraw/zinc/09/11/98/1073091198.db2.gz SNCQCJUMLYCWTC-CYBMUJFWSA-N 1 2 444.321 0.366 20 0 ICADLO C[C@@H](C(=O)N1CCN(c2ncc(I)cn2)CC1)[NH+]1CCN(C)CC1 ZINC001557852431 1073091247 /nfs/dbraw/zinc/09/12/47/1073091247.db2.gz SNCQCJUMLYCWTC-ZDUSSCGKSA-N 1 2 444.321 0.366 20 0 ICADLO CN(CCOCCNC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001557880573 1073093558 /nfs/dbraw/zinc/09/35/58/1073093558.db2.gz SEQDHBPXNYWRKG-KRWDZBQOSA-N 1 2 442.557 0.167 20 0 ICADLO CN(CCOCCNC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001557880574 1073093433 /nfs/dbraw/zinc/09/34/33/1073093433.db2.gz SEQDHBPXNYWRKG-QGZVFWFLSA-N 1 2 442.557 0.167 20 0 ICADLO CC(=O)NCC(=O)N1CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC001557882100 1073093962 /nfs/dbraw/zinc/09/39/62/1073093962.db2.gz NRHCZZNDNLTGOL-IBGZPJMESA-N 1 2 446.552 0.214 20 0 ICADLO CC(=O)NCC(=O)N1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC001557882100 1073093954 /nfs/dbraw/zinc/09/39/54/1073093954.db2.gz NRHCZZNDNLTGOL-IBGZPJMESA-N 1 2 446.552 0.214 20 0 ICADLO O=C(NCCC1(O)CCN(c2ccccc2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001557889099 1073095330 /nfs/dbraw/zinc/09/53/30/1073095330.db2.gz LRPMTALJOOTISP-FQEVSTJZSA-N 1 2 444.576 0.705 20 0 ICADLO O=C(NCCC1(O)CCN(c2ccccc2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001557889102 1073095290 /nfs/dbraw/zinc/09/52/90/1073095290.db2.gz LRPMTALJOOTISP-HXUWFJFHSA-N 1 2 444.576 0.705 20 0 ICADLO C[NH+]1CCN(c2ccnc(NC(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)c2)CC1 ZINC001557903088 1073096636 /nfs/dbraw/zinc/09/66/36/1073096636.db2.gz BYSGATKFKDGWFI-FQEVSTJZSA-N 1 2 430.509 0.388 20 0 ICADLO C[NH+]1CCN(c2ccnc(NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)c2)CC1 ZINC001557903089 1073096818 /nfs/dbraw/zinc/09/68/18/1073096818.db2.gz BYSGATKFKDGWFI-HXUWFJFHSA-N 1 2 430.509 0.388 20 0 ICADLO C[NH+]1CCN(c2ccnc(NC(=O)CCC(=O)N3CCN(c4ncccn4)CC3)c2)CC1 ZINC001557903126 1073097377 /nfs/dbraw/zinc/09/73/77/1073097377.db2.gz DPEDBMABHBRCTG-UHFFFAOYSA-N 1 2 438.536 0.691 20 0 ICADLO C[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C[C@@H]1CO ZINC001557909743 1073096996 /nfs/dbraw/zinc/09/69/96/1073096996.db2.gz BPYZZIXXQYSYNS-GFCCVEGCSA-N 1 2 432.340 0.638 20 0 ICADLO C[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C[C@@H]1CO ZINC001557909743 1073096985 /nfs/dbraw/zinc/09/69/85/1073096985.db2.gz BPYZZIXXQYSYNS-GFCCVEGCSA-N 1 2 432.340 0.638 20 0 ICADLO C[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C[C@H]1CO ZINC001557909744 1073097145 /nfs/dbraw/zinc/09/71/45/1073097145.db2.gz BPYZZIXXQYSYNS-LBPRGKRZSA-N 1 2 432.340 0.638 20 0 ICADLO C[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C[C@H]1CO ZINC001557909744 1073097133 /nfs/dbraw/zinc/09/71/33/1073097133.db2.gz BPYZZIXXQYSYNS-LBPRGKRZSA-N 1 2 432.340 0.638 20 0 ICADLO C[N@H+]1CCN(C(=O)c2cc(I)ccc2N2CCOCC2)C[C@H]1CO ZINC001557910133 1073097037 /nfs/dbraw/zinc/09/70/37/1073097037.db2.gz MGCIZBLLTJSSLU-AWEZNQCLSA-N 1 2 445.301 0.876 20 0 ICADLO C[N@@H+]1CCN(C(=O)c2cc(I)ccc2N2CCOCC2)C[C@H]1CO ZINC001557910133 1073097025 /nfs/dbraw/zinc/09/70/25/1073097025.db2.gz MGCIZBLLTJSSLU-AWEZNQCLSA-N 1 2 445.301 0.876 20 0 ICADLO C[N@H+]1CCN(C(=O)c2cc(I)ccc2N2CCOCC2)C[C@@H]1CO ZINC001557910134 1073097092 /nfs/dbraw/zinc/09/70/92/1073097092.db2.gz MGCIZBLLTJSSLU-CQSZACIVSA-N 1 2 445.301 0.876 20 0 ICADLO C[N@@H+]1CCN(C(=O)c2cc(I)ccc2N2CCOCC2)C[C@@H]1CO ZINC001557910134 1073097079 /nfs/dbraw/zinc/09/70/79/1073097079.db2.gz MGCIZBLLTJSSLU-CQSZACIVSA-N 1 2 445.301 0.876 20 0 ICADLO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)CC2)cc1OC ZINC001557910195 1073097695 /nfs/dbraw/zinc/09/76/95/1073097695.db2.gz NYGBRWRMPHXIDY-INIZCTEOSA-N 1 2 441.550 0.239 20 0 ICADLO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[N@H+](C)[C@H](CO)C3)CC2)cc1OC ZINC001557910195 1073097687 /nfs/dbraw/zinc/09/76/87/1073097687.db2.gz NYGBRWRMPHXIDY-INIZCTEOSA-N 1 2 441.550 0.239 20 0 ICADLO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)CC2)cc1OC ZINC001557910196 1073097619 /nfs/dbraw/zinc/09/76/19/1073097619.db2.gz NYGBRWRMPHXIDY-MRXNPFEDSA-N 1 2 441.550 0.239 20 0 ICADLO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)CC2)cc1OC ZINC001557910196 1073097607 /nfs/dbraw/zinc/09/76/07/1073097607.db2.gz NYGBRWRMPHXIDY-MRXNPFEDSA-N 1 2 441.550 0.239 20 0 ICADLO C[N@H+]1CCN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C[C@H]1CO ZINC001557913426 1073098085 /nfs/dbraw/zinc/09/80/85/1073098085.db2.gz ZFXGXKLJVWBZGW-BTYIYWSLSA-N 1 2 443.541 0.469 20 0 ICADLO C[N@@H+]1CCN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C[C@H]1CO ZINC001557913426 1073098074 /nfs/dbraw/zinc/09/80/74/1073098074.db2.gz ZFXGXKLJVWBZGW-BTYIYWSLSA-N 1 2 443.541 0.469 20 0 ICADLO C[N@H+]1CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C[C@@H]1CO ZINC001557913427 1073098312 /nfs/dbraw/zinc/09/83/12/1073098312.db2.gz ZFXGXKLJVWBZGW-QVKFZJNVSA-N 1 2 443.541 0.469 20 0 ICADLO C[N@@H+]1CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C[C@@H]1CO ZINC001557913427 1073098299 /nfs/dbraw/zinc/09/82/99/1073098299.db2.gz ZFXGXKLJVWBZGW-QVKFZJNVSA-N 1 2 443.541 0.469 20 0 ICADLO C[N@H+]1CCN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C[C@@H]1CO ZINC001557913428 1073098213 /nfs/dbraw/zinc/09/82/13/1073098213.db2.gz ZFXGXKLJVWBZGW-VFNWGFHPSA-N 1 2 443.541 0.469 20 0 ICADLO C[N@@H+]1CCN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C[C@@H]1CO ZINC001557913428 1073098199 /nfs/dbraw/zinc/09/81/99/1073098199.db2.gz ZFXGXKLJVWBZGW-VFNWGFHPSA-N 1 2 443.541 0.469 20 0 ICADLO C[N@H+]1CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C[C@H]1CO ZINC001557913429 1073098383 /nfs/dbraw/zinc/09/83/83/1073098383.db2.gz ZFXGXKLJVWBZGW-YCRPNKLZSA-N 1 2 443.541 0.469 20 0 ICADLO C[N@@H+]1CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C[C@H]1CO ZINC001557913429 1073098369 /nfs/dbraw/zinc/09/83/69/1073098369.db2.gz ZFXGXKLJVWBZGW-YCRPNKLZSA-N 1 2 443.541 0.469 20 0 ICADLO CCN1C(=O)CO[C@H](C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)[C@H]1c1nccn1C ZINC001557944839 1073102708 /nfs/dbraw/zinc/10/27/08/1073102708.db2.gz MRZIYXGULXLRFR-PMACEKPBSA-N 1 2 427.505 0.759 20 0 ICADLO COC(=O)c1cc2c(cc1NC(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)OCCCO2 ZINC001557946103 1073102785 /nfs/dbraw/zinc/10/27/85/1073102785.db2.gz FXDLGDBPNNAHTP-HNNXBMFYSA-N 1 2 447.488 0.754 20 0 ICADLO COC(=O)c1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)OCCCO2 ZINC001557946104 1073102751 /nfs/dbraw/zinc/10/27/51/1073102751.db2.gz FXDLGDBPNNAHTP-OAHLLOKOSA-N 1 2 447.488 0.754 20 0 ICADLO Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001557960030 1073103707 /nfs/dbraw/zinc/10/37/07/1073103707.db2.gz GVHFGBKWTNRKRW-GOSISDBHSA-N 1 2 425.532 0.938 20 0 ICADLO Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC[C@]2(CO)COCC[NH2+]2)cc1 ZINC001557960032 1073103893 /nfs/dbraw/zinc/10/38/93/1073103893.db2.gz GVHFGBKWTNRKRW-SFHVURJKSA-N 1 2 425.532 0.938 20 0 ICADLO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001557960317 1073103867 /nfs/dbraw/zinc/10/38/67/1073103867.db2.gz LDETWDZMXVAVHS-IBGZPJMESA-N 1 2 441.456 0.846 20 0 ICADLO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC001557960319 1073103833 /nfs/dbraw/zinc/10/38/33/1073103833.db2.gz LDETWDZMXVAVHS-LJQANCHMSA-N 1 2 441.456 0.846 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC001557975698 1073106928 /nfs/dbraw/zinc/10/69/28/1073106928.db2.gz DRSBHCWMFSFPGN-HNNXBMFYSA-N 1 2 425.497 0.518 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC001557975698 1073106923 /nfs/dbraw/zinc/10/69/23/1073106923.db2.gz DRSBHCWMFSFPGN-HNNXBMFYSA-N 1 2 425.497 0.518 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC001557975699 1073106753 /nfs/dbraw/zinc/10/67/53/1073106753.db2.gz DRSBHCWMFSFPGN-OAHLLOKOSA-N 1 2 425.497 0.518 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC001557975699 1073106748 /nfs/dbraw/zinc/10/67/48/1073106748.db2.gz DRSBHCWMFSFPGN-OAHLLOKOSA-N 1 2 425.497 0.518 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)cc1 ZINC001557978682 1073106809 /nfs/dbraw/zinc/10/68/09/1073106809.db2.gz TZRXAFWZCMFBFA-IBGZPJMESA-N 1 2 445.541 0.885 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)cc1 ZINC001557978682 1073106802 /nfs/dbraw/zinc/10/68/02/1073106802.db2.gz TZRXAFWZCMFBFA-IBGZPJMESA-N 1 2 445.541 0.885 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)cc1 ZINC001557978687 1073106892 /nfs/dbraw/zinc/10/68/92/1073106892.db2.gz TZRXAFWZCMFBFA-LJQANCHMSA-N 1 2 445.541 0.885 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)cc1 ZINC001557978687 1073106884 /nfs/dbraw/zinc/10/68/84/1073106884.db2.gz TZRXAFWZCMFBFA-LJQANCHMSA-N 1 2 445.541 0.885 20 0 ICADLO COc1cc(C(=O)NCC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc(OC)c1OC ZINC001557980345 1073106969 /nfs/dbraw/zinc/10/69/69/1073106969.db2.gz DUIIMJCRPNSSOA-UHFFFAOYSA-N 1 2 434.537 0.681 20 0 ICADLO COc1c(F)cc(CC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc1S(N)(=O)=O ZINC001557983585 1073107329 /nfs/dbraw/zinc/10/73/29/1073107329.db2.gz QMLWIJDNJFVRBC-UHFFFAOYSA-N 1 2 428.530 0.263 20 0 ICADLO C[NH+]1CCN(C2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)CC1 ZINC001557984021 1073107385 /nfs/dbraw/zinc/10/73/85/1073107385.db2.gz WIEDWHGUUJXXKN-GOSISDBHSA-N 1 2 435.956 0.552 20 0 ICADLO C[NH+]1CCN(C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)CC1 ZINC001557984022 1073107304 /nfs/dbraw/zinc/10/73/04/1073107304.db2.gz WIEDWHGUUJXXKN-SFHVURJKSA-N 1 2 435.956 0.552 20 0 ICADLO COC(=O)C1=NO[C@@]2(CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC001557993778 1073108515 /nfs/dbraw/zinc/10/85/15/1073108515.db2.gz HRKJFNMGHWGRHE-NRFANRHFSA-N 1 2 429.477 0.431 20 0 ICADLO COC(=O)C1=NO[C@]2(CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC001557993779 1073108656 /nfs/dbraw/zinc/10/86/56/1073108656.db2.gz HRKJFNMGHWGRHE-OAQYLSRUSA-N 1 2 429.477 0.431 20 0 ICADLO CCCNC(=O)Cc1csc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC001558022710 1073111904 /nfs/dbraw/zinc/11/19/04/1073111904.db2.gz DXXKODRIVOTNKF-INIZCTEOSA-N 1 2 437.566 0.864 20 0 ICADLO CCCNC(=O)Cc1csc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC001558022711 1073112007 /nfs/dbraw/zinc/11/20/07/1073112007.db2.gz DXXKODRIVOTNKF-MRXNPFEDSA-N 1 2 437.566 0.864 20 0 ICADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC001558027408 1073112676 /nfs/dbraw/zinc/11/26/76/1073112676.db2.gz OPNGZAHDXUZFBW-HNNXBMFYSA-N 1 2 428.461 0.808 20 0 ICADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC001558027408 1073112673 /nfs/dbraw/zinc/11/26/73/1073112673.db2.gz OPNGZAHDXUZFBW-HNNXBMFYSA-N 1 2 428.461 0.808 20 0 ICADLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC001558028417 1073112640 /nfs/dbraw/zinc/11/26/40/1073112640.db2.gz XNKNKLXFIJOPKP-KRWDZBQOSA-N 1 2 436.534 0.929 20 0 ICADLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001558028417 1073112635 /nfs/dbraw/zinc/11/26/35/1073112635.db2.gz XNKNKLXFIJOPKP-KRWDZBQOSA-N 1 2 436.534 0.929 20 0 ICADLO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001558055956 1073118447 /nfs/dbraw/zinc/11/84/47/1073118447.db2.gz FYXZJMRJKZKAKZ-UHFFFAOYSA-N 1 2 440.548 0.780 20 0 ICADLO COc1cc(C(=O)NCC(=O)N2CC[NH+](CCc3cnccn3)CC2)cc(OC)c1OC ZINC001558057165 1073119080 /nfs/dbraw/zinc/11/90/80/1073119080.db2.gz UFQSHZIXXQHVIZ-UHFFFAOYSA-N 1 2 443.504 0.619 20 0 ICADLO CC(C)n1cc(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)[nH]c1=O ZINC001558080425 1073125279 /nfs/dbraw/zinc/12/52/79/1073125279.db2.gz IHJWDGHZUVRDFQ-UHFFFAOYSA-N 1 2 428.493 0.670 20 0 ICADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001558112336 1073131917 /nfs/dbraw/zinc/13/19/17/1073131917.db2.gz XYFMAEWRTBEVIW-GFCCVEGCSA-N 1 2 436.987 0.575 20 0 ICADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001558112336 1073131913 /nfs/dbraw/zinc/13/19/13/1073131913.db2.gz XYFMAEWRTBEVIW-GFCCVEGCSA-N 1 2 436.987 0.575 20 0 ICADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001558112339 1073131827 /nfs/dbraw/zinc/13/18/27/1073131827.db2.gz XYFMAEWRTBEVIW-LBPRGKRZSA-N 1 2 436.987 0.575 20 0 ICADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001558112339 1073131824 /nfs/dbraw/zinc/13/18/24/1073131824.db2.gz XYFMAEWRTBEVIW-LBPRGKRZSA-N 1 2 436.987 0.575 20 0 ICADLO CC(C)(C)OCCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC001558118702 1073132436 /nfs/dbraw/zinc/13/24/36/1073132436.db2.gz CTTHSRYCHDMLFU-UHFFFAOYSA-N 1 2 430.527 0.006 20 0 ICADLO NS(=O)(=O)N1CCN(C(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)CC1 ZINC001558121601 1073133043 /nfs/dbraw/zinc/13/30/43/1073133043.db2.gz BOXRWUOJVIQBQS-HNNXBMFYSA-N 1 2 431.356 0.934 20 0 ICADLO NS(=O)(=O)N1CCN(C(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)CC1 ZINC001558121602 1073132966 /nfs/dbraw/zinc/13/29/66/1073132966.db2.gz BOXRWUOJVIQBQS-OAHLLOKOSA-N 1 2 431.356 0.934 20 0 ICADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[C@]1(O)C(=O)Nc2ccccc21 ZINC001558162246 1073138195 /nfs/dbraw/zinc/13/81/95/1073138195.db2.gz XDNDPIZJXWEJBQ-HSZRJFAPSA-N 1 2 437.500 0.857 20 0 ICADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[C@@]1(O)C(=O)Nc2ccccc21 ZINC001558162248 1073138064 /nfs/dbraw/zinc/13/80/64/1073138064.db2.gz XDNDPIZJXWEJBQ-QHCPKHFHSA-N 1 2 437.500 0.857 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC001558163073 1073138150 /nfs/dbraw/zinc/13/81/50/1073138150.db2.gz CMQKAGKTFMZVEF-PBHICJAKSA-N 1 2 425.445 0.272 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC001558163073 1073138144 /nfs/dbraw/zinc/13/81/44/1073138144.db2.gz CMQKAGKTFMZVEF-PBHICJAKSA-N 1 2 425.445 0.272 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC001558163074 1073138127 /nfs/dbraw/zinc/13/81/27/1073138127.db2.gz CMQKAGKTFMZVEF-YOEHRIQHSA-N 1 2 425.445 0.272 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC001558163074 1073138115 /nfs/dbraw/zinc/13/81/15/1073138115.db2.gz CMQKAGKTFMZVEF-YOEHRIQHSA-N 1 2 425.445 0.272 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC001558163075 1073138312 /nfs/dbraw/zinc/13/83/12/1073138312.db2.gz CNECIMNNENYPAQ-FDTVQSNTSA-N 1 2 432.525 0.710 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC001558163075 1073138306 /nfs/dbraw/zinc/13/83/06/1073138306.db2.gz CNECIMNNENYPAQ-FDTVQSNTSA-N 1 2 432.525 0.710 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC001558163228 1073138242 /nfs/dbraw/zinc/13/82/42/1073138242.db2.gz JPBOTQACYQJTAF-KBPBESRZSA-N 1 2 425.536 0.406 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC001558163228 1073138236 /nfs/dbraw/zinc/13/82/36/1073138236.db2.gz JPBOTQACYQJTAF-KBPBESRZSA-N 1 2 425.536 0.406 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC001558163229 1073138375 /nfs/dbraw/zinc/13/83/75/1073138375.db2.gz JPBOTQACYQJTAF-UONOGXRCSA-N 1 2 425.536 0.406 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC001558163229 1073138370 /nfs/dbraw/zinc/13/83/70/1073138370.db2.gz JPBOTQACYQJTAF-UONOGXRCSA-N 1 2 425.536 0.406 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C ZINC001558163235 1073138092 /nfs/dbraw/zinc/13/80/92/1073138092.db2.gz JTJSPYVTIAARPS-ZDUSSCGKSA-N 1 2 429.506 0.639 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC001558163246 1073138876 /nfs/dbraw/zinc/13/88/76/1073138876.db2.gz KEUPODIRQXGERS-QAPCUYQASA-N 1 2 433.534 0.592 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC001558163246 1073138872 /nfs/dbraw/zinc/13/88/72/1073138872.db2.gz KEUPODIRQXGERS-QAPCUYQASA-N 1 2 433.534 0.592 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC001558163247 1073139032 /nfs/dbraw/zinc/13/90/32/1073139032.db2.gz KEUPODIRQXGERS-YJBOKZPZSA-N 1 2 433.534 0.592 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC001558163247 1073139029 /nfs/dbraw/zinc/13/90/29/1073139029.db2.gz KEUPODIRQXGERS-YJBOKZPZSA-N 1 2 433.534 0.592 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC001558163393 1073138910 /nfs/dbraw/zinc/13/89/10/1073138910.db2.gz PJAFKYQWLWTMSY-IBGZPJMESA-N 1 2 441.513 0.975 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC001558163393 1073138904 /nfs/dbraw/zinc/13/89/04/1073138904.db2.gz PJAFKYQWLWTMSY-IBGZPJMESA-N 1 2 441.513 0.975 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC001558163407 1073139136 /nfs/dbraw/zinc/13/91/36/1073139136.db2.gz PTMMZVDAPZXWCK-KRWDZBQOSA-N 1 2 433.534 0.980 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC001558163407 1073139135 /nfs/dbraw/zinc/13/91/35/1073139135.db2.gz PTMMZVDAPZXWCK-KRWDZBQOSA-N 1 2 433.534 0.980 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001558163819 1073138930 /nfs/dbraw/zinc/13/89/30/1073138930.db2.gz ZWJLWKMUJDDUOL-INIZCTEOSA-N 1 2 439.925 0.935 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001558163819 1073138928 /nfs/dbraw/zinc/13/89/28/1073138928.db2.gz ZWJLWKMUJDDUOL-INIZCTEOSA-N 1 2 439.925 0.935 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(C(C)C)c1I ZINC001558163926 1073138955 /nfs/dbraw/zinc/13/89/55/1073138955.db2.gz MQCRFURBVKBZBK-NSHDSACASA-N 1 2 430.250 0.879 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(C(C)C)c1I ZINC001558163926 1073138952 /nfs/dbraw/zinc/13/89/52/1073138952.db2.gz MQCRFURBVKBZBK-NSHDSACASA-N 1 2 430.250 0.879 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC001558163927 1073139118 /nfs/dbraw/zinc/13/91/18/1073139118.db2.gz MQYHYBUBOAZXCT-LBPRGKRZSA-N 1 2 429.296 0.663 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC001558163927 1073139114 /nfs/dbraw/zinc/13/91/14/1073139114.db2.gz MQYHYBUBOAZXCT-LBPRGKRZSA-N 1 2 429.296 0.663 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC001558163961 1073138990 /nfs/dbraw/zinc/13/89/90/1073138990.db2.gz OHJFJUWBKBLNDE-HNNXBMFYSA-N 1 2 432.506 0.044 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC001558163961 1073138986 /nfs/dbraw/zinc/13/89/86/1073138986.db2.gz OHJFJUWBKBLNDE-HNNXBMFYSA-N 1 2 432.506 0.044 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC001558164188 1073138974 /nfs/dbraw/zinc/13/89/74/1073138974.db2.gz XICQSTSZSOPXOA-AWEZNQCLSA-N 1 2 432.424 0.762 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC001558164188 1073138971 /nfs/dbraw/zinc/13/89/71/1073138971.db2.gz XICQSTSZSOPXOA-AWEZNQCLSA-N 1 2 432.424 0.762 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2ncc(I)n2c1 ZINC001558164245 1073138859 /nfs/dbraw/zinc/13/88/59/1073138859.db2.gz ZLNXPKYYXDINFQ-NSHDSACASA-N 1 2 438.229 0.749 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2ncc(I)n2c1 ZINC001558164245 1073138853 /nfs/dbraw/zinc/13/88/53/1073138853.db2.gz ZLNXPKYYXDINFQ-NSHDSACASA-N 1 2 438.229 0.749 20 0 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O=C(c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001558702004 1073206733 /nfs/dbraw/zinc/20/67/33/1073206733.db2.gz JQIRUHHKXVLLEB-VQTJNVASSA-N 1 2 430.530 0.976 20 0 ICADLO O=C(c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001558702004 1073206728 /nfs/dbraw/zinc/20/67/28/1073206728.db2.gz JQIRUHHKXVLLEB-VQTJNVASSA-N 1 2 430.530 0.976 20 0 ICADLO O=C(c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001558702005 1073206599 /nfs/dbraw/zinc/20/65/99/1073206599.db2.gz JQIRUHHKXVLLEB-WOJBJXKFSA-N 1 2 430.530 0.976 20 0 ICADLO O=C(c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001558702005 1073206592 /nfs/dbraw/zinc/20/65/92/1073206592.db2.gz JQIRUHHKXVLLEB-WOJBJXKFSA-N 1 2 430.530 0.976 20 0 ICADLO COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC[C@H]2Nc2cc[nH+]c(C)n2)cc1 ZINC001558769976 1073212774 /nfs/dbraw/zinc/21/27/74/1073212774.db2.gz PMJBDDGXVHPQIW-ZWKOTPCHSA-N 1 2 449.533 0.709 20 0 ICADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CC2(C1)NC(=O)NC2=O)Cc1ccccc1 ZINC001558793903 1073214541 /nfs/dbraw/zinc/21/45/41/1073214541.db2.gz RCTCBPVCRADKRY-UHFFFAOYSA-N 1 2 431.493 0.434 20 0 ICADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CC2(C1)NC(=O)NC2=O)Cc1ccccc1 ZINC001558793903 1073214535 /nfs/dbraw/zinc/21/45/35/1073214535.db2.gz RCTCBPVCRADKRY-UHFFFAOYSA-N 1 2 431.493 0.434 20 0 ICADLO CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)CC2)C1 ZINC001558794433 1073214551 /nfs/dbraw/zinc/21/45/51/1073214551.db2.gz KRSIPENOPFHCRZ-UHFFFAOYSA-N 1 2 444.580 0.967 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C2(CC2)C1 ZINC001558803518 1073215740 /nfs/dbraw/zinc/21/57/40/1073215740.db2.gz DPKVTUXOKKGEFV-DLBZAZTESA-N 1 2 436.553 0.683 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C2(CC2)C1 ZINC001558803519 1073215799 /nfs/dbraw/zinc/21/57/99/1073215799.db2.gz DPKVTUXOKKGEFV-IAGOWNOFSA-N 1 2 436.553 0.683 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C2(CC2)C1 ZINC001558803520 1073215727 /nfs/dbraw/zinc/21/57/27/1073215727.db2.gz DPKVTUXOKKGEFV-IRXDYDNUSA-N 1 2 436.553 0.683 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C2(CC2)C1 ZINC001558803521 1073215791 /nfs/dbraw/zinc/21/57/91/1073215791.db2.gz DPKVTUXOKKGEFV-SJORKVTESA-N 1 2 436.553 0.683 20 0 ICADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)cc[nH+]1 ZINC001558817657 1073217065 /nfs/dbraw/zinc/21/70/65/1073217065.db2.gz NUNRYMMQBQIIBK-ZWKOTPCHSA-N 1 2 433.534 0.964 20 0 ICADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001558829163 1073218144 /nfs/dbraw/zinc/21/81/44/1073218144.db2.gz NNWBLQCDHMNEOI-UHFFFAOYSA-N 1 2 433.534 0.806 20 0 ICADLO Cn1cc(S(=O)(=O)NCC(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)cn1 ZINC001558836384 1073219000 /nfs/dbraw/zinc/21/90/00/1073219000.db2.gz ZQVRLFCVCUFHIE-UHFFFAOYSA-N 1 2 436.925 0.956 20 0 ICADLO COc1cc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc(NS(C)(=O)=O)c1OC ZINC001558840628 1073219349 /nfs/dbraw/zinc/21/93/49/1073219349.db2.gz PECVJSCSTOFHCG-IFXJQAMLSA-N 1 2 443.522 0.031 20 0 ICADLO COc1cc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc(NS(C)(=O)=O)c1OC ZINC001558840628 1073219340 /nfs/dbraw/zinc/21/93/40/1073219340.db2.gz PECVJSCSTOFHCG-IFXJQAMLSA-N 1 2 443.522 0.031 20 0 ICADLO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ccc(I)cc1O ZINC001558840698 1073219616 /nfs/dbraw/zinc/21/96/16/1073219616.db2.gz CTAQFPQCTMLXLI-BLLLJJGKSA-N 1 2 432.258 0.952 20 0 ICADLO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1ccc(I)cc1O ZINC001558840698 1073219612 /nfs/dbraw/zinc/21/96/12/1073219612.db2.gz CTAQFPQCTMLXLI-BLLLJJGKSA-N 1 2 432.258 0.952 20 0 ICADLO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CCC(Cc4c[nH]c[nH+]4)CC3)CC2=O)c1 ZINC001558853363 1073220830 /nfs/dbraw/zinc/22/08/30/1073220830.db2.gz XQNZWBNABKCBCR-HNNXBMFYSA-N 1 2 431.518 0.891 20 0 ICADLO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CCC(Cc4c[nH]c[nH+]4)CC3)CC2=O)c1 ZINC001558853364 1073220784 /nfs/dbraw/zinc/22/07/84/1073220784.db2.gz XQNZWBNABKCBCR-OAHLLOKOSA-N 1 2 431.518 0.891 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2c(n1)CCCN2 ZINC001558913091 1073222547 /nfs/dbraw/zinc/22/25/47/1073222547.db2.gz VZLDLVKJTVSPBF-UHFFFAOYSA-N 1 2 430.534 0.717 20 0 ICADLO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001558929288 1073225057 /nfs/dbraw/zinc/22/50/57/1073225057.db2.gz SPXWDYQITPUEME-UHFFFAOYSA-N 1 2 429.525 0.496 20 0 ICADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001558969577 1073226642 /nfs/dbraw/zinc/22/66/42/1073226642.db2.gz LLTOSFFZXGECEN-CABCVRRESA-N 1 2 437.497 0.447 20 0 ICADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001558969578 1073226609 /nfs/dbraw/zinc/22/66/09/1073226609.db2.gz LLTOSFFZXGECEN-GJZGRUSLSA-N 1 2 437.497 0.447 20 0 ICADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001558969579 1073226692 /nfs/dbraw/zinc/22/66/92/1073226692.db2.gz LLTOSFFZXGECEN-HUUCEWRRSA-N 1 2 437.497 0.447 20 0 ICADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001558969580 1073226632 /nfs/dbraw/zinc/22/66/32/1073226632.db2.gz LLTOSFFZXGECEN-LSDHHAIUSA-N 1 2 437.497 0.447 20 0 ICADLO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001559017467 1073230124 /nfs/dbraw/zinc/23/01/24/1073230124.db2.gz MUIONYBPARNHJW-KRWDZBQOSA-N 1 2 434.493 0.112 20 0 ICADLO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001559017467 1073230118 /nfs/dbraw/zinc/23/01/18/1073230118.db2.gz MUIONYBPARNHJW-KRWDZBQOSA-N 1 2 434.493 0.112 20 0 ICADLO NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001559017468 1073230278 /nfs/dbraw/zinc/23/02/78/1073230278.db2.gz MUIONYBPARNHJW-QGZVFWFLSA-N 1 2 434.493 0.112 20 0 ICADLO NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001559017468 1073230269 /nfs/dbraw/zinc/23/02/69/1073230269.db2.gz MUIONYBPARNHJW-QGZVFWFLSA-N 1 2 434.493 0.112 20 0 ICADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001559026057 1073230919 /nfs/dbraw/zinc/23/09/19/1073230919.db2.gz SXCKVKFSMCBZLP-GOSISDBHSA-N 1 2 436.534 0.895 20 0 ICADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001559026057 1073230916 /nfs/dbraw/zinc/23/09/16/1073230916.db2.gz SXCKVKFSMCBZLP-GOSISDBHSA-N 1 2 436.534 0.895 20 0 ICADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001559026058 1073231106 /nfs/dbraw/zinc/23/11/06/1073231106.db2.gz SXCKVKFSMCBZLP-SFHVURJKSA-N 1 2 436.534 0.895 20 0 ICADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001559026058 1073231096 /nfs/dbraw/zinc/23/10/96/1073231096.db2.gz SXCKVKFSMCBZLP-SFHVURJKSA-N 1 2 436.534 0.895 20 0 ICADLO COc1ccc(-c2nccc(N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)n2)cc1 ZINC001559066567 1073232421 /nfs/dbraw/zinc/23/24/21/1073232421.db2.gz BUJJFXUNDGPHMB-UHFFFAOYSA-N 1 2 432.550 0.766 20 0 ICADLO Cc1nc(C)c(Br)c(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001559066707 1073232360 /nfs/dbraw/zinc/23/23/60/1073232360.db2.gz HTPIYQQLSGYICC-UHFFFAOYSA-N 1 2 433.376 0.470 20 0 ICADLO CCn1cnc2c1nc(Cl)nc2N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001559066881 1072253936 /nfs/dbraw/zinc/25/39/36/1072253936.db2.gz ODDKGMVCAUOWNA-UHFFFAOYSA-N 1 2 428.950 0.114 20 0 ICADLO CC[C@@]1(c2cnn(C)c2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC001559389047 1073235661 /nfs/dbraw/zinc/23/56/61/1073235661.db2.gz LGWTTXRKBYKNID-FQEVSTJZSA-N 1 2 430.534 0.983 20 0 ICADLO CC[C@]1(c2cnn(C)c2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC001559389048 1073235596 /nfs/dbraw/zinc/23/55/96/1073235596.db2.gz LGWTTXRKBYKNID-HXUWFJFHSA-N 1 2 430.534 0.983 20 0 ICADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C(=O)[C@@H]4CSCN4C3=O)CC2)cc1OC ZINC001559404008 1073236162 /nfs/dbraw/zinc/23/61/62/1073236162.db2.gz VMTWPANXVIIJHN-INIZCTEOSA-N 1 2 448.545 0.994 20 0 ICADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C(=O)[C@H]4CSCN4C3=O)CC2)cc1OC ZINC001559404009 1073236249 /nfs/dbraw/zinc/23/62/49/1073236249.db2.gz VMTWPANXVIIJHN-MRXNPFEDSA-N 1 2 448.545 0.994 20 0 ICADLO Cc1cc(N2CCN(C(=O)Cn3cc(S(C)(=O)=O)ccc3=O)CC2)nc(C(C)C)[nH+]1 ZINC001559416383 1073236621 /nfs/dbraw/zinc/23/66/21/1073236621.db2.gz HMRJVAGITSJNHW-UHFFFAOYSA-N 1 2 433.534 0.822 20 0 ICADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C(=O)NC4(CC(O)C4)C3=O)CC2)cc1OC ZINC001559455301 1073238425 /nfs/dbraw/zinc/23/84/25/1073238425.db2.gz FJJRAPNVEPDUMQ-UHFFFAOYSA-N 1 2 446.504 0.102 20 0 ICADLO CC(C)(CNC(=O)Cn1nnn(-c2ccc(Br)cc2)c1=O)[NH+]1CCOCC1 ZINC001559467691 1073238796 /nfs/dbraw/zinc/23/87/96/1073238796.db2.gz WTUQYQBSSZNYGC-UHFFFAOYSA-N 1 2 439.314 0.419 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nnc4c(=O)[nH]ccn34)C2)CC1 ZINC001559493988 1073239227 /nfs/dbraw/zinc/23/92/27/1073239227.db2.gz SFSLKKCCSSDJGF-HNNXBMFYSA-N 1 2 445.524 0.709 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nnc4c(=O)[nH]ccn34)C2)CC1 ZINC001559493988 1073239225 /nfs/dbraw/zinc/23/92/25/1073239225.db2.gz SFSLKKCCSSDJGF-HNNXBMFYSA-N 1 2 445.524 0.709 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nnc4c(=O)[nH]ccn34)C2)CC1 ZINC001559493989 1073239356 /nfs/dbraw/zinc/23/93/56/1073239356.db2.gz SFSLKKCCSSDJGF-OAHLLOKOSA-N 1 2 445.524 0.709 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nnc4c(=O)[nH]ccn34)C2)CC1 ZINC001559493989 1073239348 /nfs/dbraw/zinc/23/93/48/1073239348.db2.gz SFSLKKCCSSDJGF-OAHLLOKOSA-N 1 2 445.524 0.709 20 0 ICADLO CNS(=O)(=O)c1ccccc1N1CC[NH+]([C@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC001559519663 1073239445 /nfs/dbraw/zinc/23/94/45/1073239445.db2.gz LDUASJYOEDCBBN-KRWDZBQOSA-N 1 2 438.550 0.271 20 0 ICADLO CNS(=O)(=O)c1ccccc1N1CC[NH+]([C@@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC001559519664 1073239425 /nfs/dbraw/zinc/23/94/25/1073239425.db2.gz LDUASJYOEDCBBN-QGZVFWFLSA-N 1 2 438.550 0.271 20 0 ICADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001559526093 1073239810 /nfs/dbraw/zinc/23/98/10/1073239810.db2.gz LDJFZMJWQBMONC-WBVHZDCISA-N 1 2 425.507 0.408 20 0 ICADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001559526093 1073239805 /nfs/dbraw/zinc/23/98/05/1073239805.db2.gz LDJFZMJWQBMONC-WBVHZDCISA-N 1 2 425.507 0.408 20 0 ICADLO CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001559531240 1073240010 /nfs/dbraw/zinc/24/00/10/1073240010.db2.gz LUONXZRXFBGUJU-UHFFFAOYSA-N 1 2 428.489 0.901 20 0 ICADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001559542006 1073239980 /nfs/dbraw/zinc/23/99/80/1073239980.db2.gz ZDLCPDFVHZBOBU-UHFFFAOYSA-N 1 2 428.455 0.985 20 0 ICADLO COC(=O)CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)C[C@H]1CCCO1 ZINC001559545536 1073239902 /nfs/dbraw/zinc/23/99/02/1073239902.db2.gz AAQKUNSGAUAOOB-CYBMUJFWSA-N 1 2 429.495 0.325 20 0 ICADLO COC(=O)CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)C[C@H]1CCCO1 ZINC001559545536 1073239894 /nfs/dbraw/zinc/23/98/94/1073239894.db2.gz AAQKUNSGAUAOOB-CYBMUJFWSA-N 1 2 429.495 0.325 20 0 ICADLO COC(=O)CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)C[C@@H]1CCCO1 ZINC001559545537 1073239779 /nfs/dbraw/zinc/23/97/79/1073239779.db2.gz AAQKUNSGAUAOOB-ZDUSSCGKSA-N 1 2 429.495 0.325 20 0 ICADLO COC(=O)CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)C[C@@H]1CCCO1 ZINC001559545537 1073239768 /nfs/dbraw/zinc/23/97/68/1073239768.db2.gz AAQKUNSGAUAOOB-ZDUSSCGKSA-N 1 2 429.495 0.325 20 0 ICADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)cc1 ZINC001559561007 1073240442 /nfs/dbraw/zinc/24/04/42/1073240442.db2.gz WZTILQYYMMATCK-IBGZPJMESA-N 1 2 444.557 0.887 20 0 ICADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)cc1 ZINC001559561007 1073240436 /nfs/dbraw/zinc/24/04/36/1073240436.db2.gz WZTILQYYMMATCK-IBGZPJMESA-N 1 2 444.557 0.887 20 0 ICADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1 ZINC001559561008 1073240380 /nfs/dbraw/zinc/24/03/80/1073240380.db2.gz WZTILQYYMMATCK-LJQANCHMSA-N 1 2 444.557 0.887 20 0 ICADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1 ZINC001559561008 1073240371 /nfs/dbraw/zinc/24/03/71/1073240371.db2.gz WZTILQYYMMATCK-LJQANCHMSA-N 1 2 444.557 0.887 20 0 ICADLO CC(C)(C)OC(=O)N1CC(CC[NH+]2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC001559627077 1073241790 /nfs/dbraw/zinc/24/17/90/1073241790.db2.gz MTSDABQBQLCKGV-UHFFFAOYSA-N 1 2 442.538 0.942 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2C[NH+](CCC(=O)N3CCCC3)C2)CC1 ZINC001559631355 1073242191 /nfs/dbraw/zinc/24/21/91/1073242191.db2.gz BOOSLIRGFHRSFJ-UHFFFAOYSA-N 1 2 430.571 0.566 20 0 ICADLO CO[C@H](C[NH+]1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)[C@H]1CCOC1 ZINC001559631760 1073242356 /nfs/dbraw/zinc/24/23/56/1073242356.db2.gz PTEDHHQMWUAWLV-DOTOQJQBSA-N 1 2 433.571 0.605 20 0 ICADLO CO[C@H](C[NH+]1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)[C@@H]1CCOC1 ZINC001559631761 1073242282 /nfs/dbraw/zinc/24/22/82/1073242282.db2.gz PTEDHHQMWUAWLV-NVXWUHKLSA-N 1 2 433.571 0.605 20 0 ICADLO CO[C@@H](C[NH+]1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)[C@H]1CCOC1 ZINC001559631762 1073242253 /nfs/dbraw/zinc/24/22/53/1073242253.db2.gz PTEDHHQMWUAWLV-RDJZCZTQSA-N 1 2 433.571 0.605 20 0 ICADLO CO[C@@H](C[NH+]1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)[C@@H]1CCOC1 ZINC001559631763 1073242305 /nfs/dbraw/zinc/24/23/05/1073242305.db2.gz PTEDHHQMWUAWLV-WBVHZDCISA-N 1 2 433.571 0.605 20 0 ICADLO C[C@H]1COCC[N@H+]1CCN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001559632015 1073242337 /nfs/dbraw/zinc/24/23/37/1073242337.db2.gz YAPMPVGQAAMFOZ-INIZCTEOSA-N 1 2 432.587 0.274 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001559632015 1073242327 /nfs/dbraw/zinc/24/23/27/1073242327.db2.gz YAPMPVGQAAMFOZ-INIZCTEOSA-N 1 2 432.587 0.274 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001559632016 1073242378 /nfs/dbraw/zinc/24/23/78/1073242378.db2.gz YAPMPVGQAAMFOZ-MRXNPFEDSA-N 1 2 432.587 0.274 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001559632016 1073242376 /nfs/dbraw/zinc/24/23/76/1073242376.db2.gz YAPMPVGQAAMFOZ-MRXNPFEDSA-N 1 2 432.587 0.274 20 0 ICADLO NC(=O)[C@@H]1CSCC[N@H+]1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001559657968 1073243642 /nfs/dbraw/zinc/24/36/42/1073243642.db2.gz WMMJXPHBJMELCG-INIZCTEOSA-N 1 2 426.564 0.702 20 0 ICADLO NC(=O)[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001559657968 1073243639 /nfs/dbraw/zinc/24/36/39/1073243639.db2.gz WMMJXPHBJMELCG-INIZCTEOSA-N 1 2 426.564 0.702 20 0 ICADLO NC(=O)[C@H]1CSCC[N@H+]1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001559657969 1073243571 /nfs/dbraw/zinc/24/35/71/1073243571.db2.gz WMMJXPHBJMELCG-MRXNPFEDSA-N 1 2 426.564 0.702 20 0 ICADLO NC(=O)[C@H]1CSCC[N@@H+]1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001559657969 1073243567 /nfs/dbraw/zinc/24/35/67/1073243567.db2.gz WMMJXPHBJMELCG-MRXNPFEDSA-N 1 2 426.564 0.702 20 0 ICADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1=O ZINC001559663398 1073244011 /nfs/dbraw/zinc/24/40/11/1073244011.db2.gz GIJIXKWVFIPCRT-HNNXBMFYSA-N 1 2 431.518 0.872 20 0 ICADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1=O ZINC001559663398 1073244006 /nfs/dbraw/zinc/24/40/06/1073244006.db2.gz GIJIXKWVFIPCRT-HNNXBMFYSA-N 1 2 431.518 0.872 20 0 ICADLO C[C@H]1NC(=O)N(CC[N@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1=O ZINC001559663415 1073244059 /nfs/dbraw/zinc/24/40/59/1073244059.db2.gz GIJIXKWVFIPCRT-OAHLLOKOSA-N 1 2 431.518 0.872 20 0 ICADLO C[C@H]1NC(=O)N(CC[N@@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1=O ZINC001559663415 1073244055 /nfs/dbraw/zinc/24/40/55/1073244055.db2.gz GIJIXKWVFIPCRT-OAHLLOKOSA-N 1 2 431.518 0.872 20 0 ICADLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@@H]([NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)C1 ZINC001559713165 1073244402 /nfs/dbraw/zinc/24/44/02/1073244402.db2.gz ISZMIPRIRIJBDD-VQTJNVASSA-N 1 2 437.562 0.563 20 0 ICADLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)C1 ZINC001559713166 1073244446 /nfs/dbraw/zinc/24/44/46/1073244446.db2.gz ISZMIPRIRIJBDD-WOJBJXKFSA-N 1 2 437.562 0.563 20 0 ICADLO CSCC[C@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)c1nnc2ccccn21 ZINC001559728913 1073245072 /nfs/dbraw/zinc/24/50/72/1073245072.db2.gz FNSHMWDHUKWKMQ-HNNXBMFYSA-N 1 2 440.595 0.653 20 0 ICADLO CSCC[C@@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)c1nnc2ccccn21 ZINC001559728914 1073245041 /nfs/dbraw/zinc/24/50/41/1073245041.db2.gz FNSHMWDHUKWKMQ-OAHLLOKOSA-N 1 2 440.595 0.653 20 0 ICADLO COC(=O)CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)CC(OC)OC ZINC001559740340 1073244984 /nfs/dbraw/zinc/24/49/84/1073244984.db2.gz JVSYWULYMVHZDW-KRWDZBQOSA-N 1 2 441.569 0.968 20 0 ICADLO COC(=O)CC[N@H+](CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)CC(OC)OC ZINC001559740340 1073244980 /nfs/dbraw/zinc/24/49/80/1073244980.db2.gz JVSYWULYMVHZDW-KRWDZBQOSA-N 1 2 441.569 0.968 20 0 ICADLO COC(=O)CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)CC(OC)OC ZINC001559740341 1073244921 /nfs/dbraw/zinc/24/49/21/1073244921.db2.gz JVSYWULYMVHZDW-QGZVFWFLSA-N 1 2 441.569 0.968 20 0 ICADLO COC(=O)CC[N@H+](CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)CC(OC)OC ZINC001559740341 1073244915 /nfs/dbraw/zinc/24/49/15/1073244915.db2.gz JVSYWULYMVHZDW-QGZVFWFLSA-N 1 2 441.569 0.968 20 0 ICADLO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH+]2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC001559746739 1073244949 /nfs/dbraw/zinc/24/49/49/1073244949.db2.gz ISDOZBBIZCQWCW-IBGZPJMESA-N 1 2 443.570 0.868 20 0 ICADLO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH+]2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC001559746740 1073244937 /nfs/dbraw/zinc/24/49/37/1073244937.db2.gz ISDOZBBIZCQWCW-LJQANCHMSA-N 1 2 443.570 0.868 20 0 ICADLO CC(=O)NCC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)Cc1ccc(C)s1 ZINC001559781865 1073245957 /nfs/dbraw/zinc/24/59/57/1073245957.db2.gz UTUBFADUHKTXRP-UHFFFAOYSA-N 1 2 430.596 0.535 20 0 ICADLO CC(=O)NCC[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)Cc1ccc(C)s1 ZINC001559781865 1073245950 /nfs/dbraw/zinc/24/59/50/1073245950.db2.gz UTUBFADUHKTXRP-UHFFFAOYSA-N 1 2 430.596 0.535 20 0 ICADLO O=C(C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001559799471 1073246370 /nfs/dbraw/zinc/24/63/70/1073246370.db2.gz ZXZFGLVZWSHBSZ-KRWDZBQOSA-N 1 2 429.477 0.743 20 0 ICADLO O=C(C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001559799471 1073246363 /nfs/dbraw/zinc/24/63/63/1073246363.db2.gz ZXZFGLVZWSHBSZ-KRWDZBQOSA-N 1 2 429.477 0.743 20 0 ICADLO O=C(C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001559799472 1073246215 /nfs/dbraw/zinc/24/62/15/1073246215.db2.gz ZXZFGLVZWSHBSZ-QGZVFWFLSA-N 1 2 429.477 0.743 20 0 ICADLO O=C(C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001559799472 1073246200 /nfs/dbraw/zinc/24/62/00/1073246200.db2.gz ZXZFGLVZWSHBSZ-QGZVFWFLSA-N 1 2 429.477 0.743 20 0 ICADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC001559801967 1073246356 /nfs/dbraw/zinc/24/63/56/1073246356.db2.gz NYNSMXMHBPLKLG-GFCCVEGCSA-N 1 2 426.539 0.923 20 0 ICADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC001559801967 1073246350 /nfs/dbraw/zinc/24/63/50/1073246350.db2.gz NYNSMXMHBPLKLG-GFCCVEGCSA-N 1 2 426.539 0.923 20 0 ICADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC001559801967 1073246346 /nfs/dbraw/zinc/24/63/46/1073246346.db2.gz NYNSMXMHBPLKLG-GFCCVEGCSA-N 1 2 426.539 0.923 20 0 ICADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001559801968 1073246425 /nfs/dbraw/zinc/24/64/25/1073246425.db2.gz NYNSMXMHBPLKLG-LBPRGKRZSA-N 1 2 426.539 0.923 20 0 ICADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC001559801968 1073246419 /nfs/dbraw/zinc/24/64/19/1073246419.db2.gz NYNSMXMHBPLKLG-LBPRGKRZSA-N 1 2 426.539 0.923 20 0 ICADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC001559801968 1073246415 /nfs/dbraw/zinc/24/64/15/1073246415.db2.gz NYNSMXMHBPLKLG-LBPRGKRZSA-N 1 2 426.539 0.923 20 0 ICADLO CNC(=O)[C@H](NC(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001559804960 1073246290 /nfs/dbraw/zinc/24/62/90/1073246290.db2.gz CNOWCLZSFGMLNS-GOSISDBHSA-N 1 2 434.537 0.942 20 0 ICADLO CNC(=O)[C@@H](NC(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001559804961 1073246458 /nfs/dbraw/zinc/24/64/58/1073246458.db2.gz CNOWCLZSFGMLNS-SFHVURJKSA-N 1 2 434.537 0.942 20 0 ICADLO C[C@H](NC(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1)C(=O)N1CCCCC1 ZINC001559805586 1073246405 /nfs/dbraw/zinc/24/64/05/1073246405.db2.gz SVXXLVVPFUAGHV-INIZCTEOSA-N 1 2 426.558 0.855 20 0 ICADLO C[C@@H](NC(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1)C(=O)N1CCCCC1 ZINC001559805587 1073246536 /nfs/dbraw/zinc/24/65/36/1073246536.db2.gz SVXXLVVPFUAGHV-MRXNPFEDSA-N 1 2 426.558 0.855 20 0 ICADLO CCS(=O)(=O)N1CC[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H](C)C1 ZINC001559816324 1073247008 /nfs/dbraw/zinc/24/70/08/1073247008.db2.gz HSJSCSOSPHFHRT-CABCVRRESA-N 1 2 425.617 0.344 20 0 ICADLO CCS(=O)(=O)N1CC[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H](C)C1 ZINC001559816324 1073247003 /nfs/dbraw/zinc/24/70/03/1073247003.db2.gz HSJSCSOSPHFHRT-CABCVRRESA-N 1 2 425.617 0.344 20 0 ICADLO CCS(=O)(=O)N1CC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H](C)C1 ZINC001559816326 1073247059 /nfs/dbraw/zinc/24/70/59/1073247059.db2.gz HSJSCSOSPHFHRT-HUUCEWRRSA-N 1 2 425.617 0.344 20 0 ICADLO CCS(=O)(=O)N1CC[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H](C)C1 ZINC001559816326 1073247052 /nfs/dbraw/zinc/24/70/52/1073247052.db2.gz HSJSCSOSPHFHRT-HUUCEWRRSA-N 1 2 425.617 0.344 20 0 ICADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC001559830589 1073247081 /nfs/dbraw/zinc/24/70/81/1073247081.db2.gz MNRIJEFTQLVBJM-JOCHJYFZSA-N 1 2 445.541 0.877 20 0 ICADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC001559830589 1073247074 /nfs/dbraw/zinc/24/70/74/1073247074.db2.gz MNRIJEFTQLVBJM-JOCHJYFZSA-N 1 2 445.541 0.877 20 0 ICADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC001559830590 1073247107 /nfs/dbraw/zinc/24/71/07/1073247107.db2.gz MNRIJEFTQLVBJM-QFIPXVFZSA-N 1 2 445.541 0.877 20 0 ICADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC001559830590 1073247105 /nfs/dbraw/zinc/24/71/05/1073247105.db2.gz MNRIJEFTQLVBJM-QFIPXVFZSA-N 1 2 445.541 0.877 20 0 ICADLO CC(C)(C)OC(=O)CNC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC001559835225 1073247472 /nfs/dbraw/zinc/24/74/72/1073247472.db2.gz DSPFZDPVFRCKOF-CJNGLKHVSA-N 1 2 437.459 0.992 20 0 ICADLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 ZINC001559835723 1073247564 /nfs/dbraw/zinc/24/75/64/1073247564.db2.gz SRRJZKGVMARCOR-UHFFFAOYSA-N 1 2 449.533 0.975 20 0 ICADLO CCOC(=O)c1cnn(C2CC[NH+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC001559845343 1073248849 /nfs/dbraw/zinc/24/88/49/1073248849.db2.gz JIFRVBVIBVDUPC-UHFFFAOYSA-N 1 2 435.506 0.983 20 0 ICADLO O=C(C[N@@H+]1CC[C@](O)(C(F)F)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001559849128 1073249420 /nfs/dbraw/zinc/24/94/20/1073249420.db2.gz MIBKNQNAJONNOL-GOSISDBHSA-N 1 2 433.477 0.026 20 0 ICADLO O=C(C[N@H+]1CC[C@](O)(C(F)F)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001559849128 1073249414 /nfs/dbraw/zinc/24/94/14/1073249414.db2.gz MIBKNQNAJONNOL-GOSISDBHSA-N 1 2 433.477 0.026 20 0 ICADLO O=C(C[N@@H+]1CC[C@@](O)(C(F)F)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001559849129 1073249269 /nfs/dbraw/zinc/24/92/69/1073249269.db2.gz MIBKNQNAJONNOL-SFHVURJKSA-N 1 2 433.477 0.026 20 0 ICADLO O=C(C[N@H+]1CC[C@@](O)(C(F)F)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001559849129 1073249256 /nfs/dbraw/zinc/24/92/56/1073249256.db2.gz MIBKNQNAJONNOL-SFHVURJKSA-N 1 2 433.477 0.026 20 0 ICADLO COCCNC(=O)c1c(NC(=O)C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)sc2c1CCCC2 ZINC001559853057 1073249878 /nfs/dbraw/zinc/24/98/78/1073249878.db2.gz MZHYVRPTZLJBQE-BETUJISGSA-N 1 2 434.518 0.146 20 0 ICADLO COCCNC(=O)c1c(NC(=O)C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)sc2c1CCCC2 ZINC001559853057 1073249870 /nfs/dbraw/zinc/24/98/70/1073249870.db2.gz MZHYVRPTZLJBQE-BETUJISGSA-N 1 2 434.518 0.146 20 0 ICADLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1S(=O)(=O)N(CC)CC ZINC001559898891 1073251652 /nfs/dbraw/zinc/25/16/52/1073251652.db2.gz OPCLGUNBCDJADZ-GDBMZVCRSA-N 1 2 429.539 0.339 20 0 ICADLO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1S(=O)(=O)N(CC)CC ZINC001559898891 1073251645 /nfs/dbraw/zinc/25/16/45/1073251645.db2.gz OPCLGUNBCDJADZ-GDBMZVCRSA-N 1 2 429.539 0.339 20 0 ICADLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(CC)CC ZINC001559898892 1073251723 /nfs/dbraw/zinc/25/17/23/1073251723.db2.gz OPCLGUNBCDJADZ-GOEBONIOSA-N 1 2 429.539 0.339 20 0 ICADLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(CC)CC ZINC001559898892 1073251715 /nfs/dbraw/zinc/25/17/15/1073251715.db2.gz OPCLGUNBCDJADZ-GOEBONIOSA-N 1 2 429.539 0.339 20 0 ICADLO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(CC)CC ZINC001559898893 1073251849 /nfs/dbraw/zinc/25/18/49/1073251849.db2.gz OPCLGUNBCDJADZ-HOCLYGCPSA-N 1 2 429.539 0.339 20 0 ICADLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(CC)CC ZINC001559898893 1073251842 /nfs/dbraw/zinc/25/18/42/1073251842.db2.gz OPCLGUNBCDJADZ-HOCLYGCPSA-N 1 2 429.539 0.339 20 0 ICADLO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N(CC)CC ZINC001559898894 1073252352 /nfs/dbraw/zinc/25/23/52/1073252352.db2.gz OPCLGUNBCDJADZ-ZBFHGGJFSA-N 1 2 429.539 0.339 20 0 ICADLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N(CC)CC ZINC001559898894 1073252344 /nfs/dbraw/zinc/25/23/44/1073252344.db2.gz OPCLGUNBCDJADZ-ZBFHGGJFSA-N 1 2 429.539 0.339 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(C(=O)C[NH+]2CCC(N3CCCS3(=O)=O)CC2)CC1 ZINC001559905998 1073252849 /nfs/dbraw/zinc/25/28/49/1073252849.db2.gz LJXWZHPRRJUZRI-UHFFFAOYSA-N 1 2 430.571 0.566 20 0 ICADLO O=C(C[NH+]1CCC(N2CCCS2(=O)=O)CC1)N1CCC(C(=O)N2CCCC2)CC1 ZINC001559906515 1073253392 /nfs/dbraw/zinc/25/33/92/1073253392.db2.gz VENLHUZMHCOJNY-UHFFFAOYSA-N 1 2 426.583 0.347 20 0 ICADLO CNC(=O)NC1CC[NH+](CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC001559909690 1073253525 /nfs/dbraw/zinc/25/35/25/1073253525.db2.gz PNLJCMCPGZNLNT-UHFFFAOYSA-N 1 2 427.527 0.277 20 0 ICADLO CON(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001559910549 1073253432 /nfs/dbraw/zinc/25/34/32/1073253432.db2.gz WTHHMXLERUAKPP-CVEARBPZSA-N 1 2 425.530 0.874 20 0 ICADLO CON(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001559910549 1073253425 /nfs/dbraw/zinc/25/34/25/1073253425.db2.gz WTHHMXLERUAKPP-CVEARBPZSA-N 1 2 425.530 0.874 20 0 ICADLO CON(C)C(=O)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001559910550 1073253491 /nfs/dbraw/zinc/25/34/91/1073253491.db2.gz WTHHMXLERUAKPP-HOTGVXAUSA-N 1 2 425.530 0.874 20 0 ICADLO CON(C)C(=O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001559910550 1073253481 /nfs/dbraw/zinc/25/34/81/1073253481.db2.gz WTHHMXLERUAKPP-HOTGVXAUSA-N 1 2 425.530 0.874 20 0 ICADLO CON(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001559910551 1073253713 /nfs/dbraw/zinc/25/37/13/1073253713.db2.gz WTHHMXLERUAKPP-HZPDHXFCSA-N 1 2 425.530 0.874 20 0 ICADLO CON(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001559910551 1073253708 /nfs/dbraw/zinc/25/37/08/1073253708.db2.gz WTHHMXLERUAKPP-HZPDHXFCSA-N 1 2 425.530 0.874 20 0 ICADLO CON(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001559910552 1073253647 /nfs/dbraw/zinc/25/36/47/1073253647.db2.gz WTHHMXLERUAKPP-JKSUJKDBSA-N 1 2 425.530 0.874 20 0 ICADLO CON(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001559910552 1073253638 /nfs/dbraw/zinc/25/36/38/1073253638.db2.gz WTHHMXLERUAKPP-JKSUJKDBSA-N 1 2 425.530 0.874 20 0 ICADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](O)[C@H](CO)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001559914975 1073254082 /nfs/dbraw/zinc/25/40/82/1073254082.db2.gz AAOSWYCVLXRZHA-BQFCYCMXSA-N 1 2 441.550 0.018 20 0 ICADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001559914975 1073254076 /nfs/dbraw/zinc/25/40/76/1073254076.db2.gz AAOSWYCVLXRZHA-BQFCYCMXSA-N 1 2 441.550 0.018 20 0 ICADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001559914976 1073254259 /nfs/dbraw/zinc/25/42/59/1073254259.db2.gz AAOSWYCVLXRZHA-JZXOWHBKSA-N 1 2 441.550 0.018 20 0 ICADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001559914976 1073254257 /nfs/dbraw/zinc/25/42/57/1073254257.db2.gz AAOSWYCVLXRZHA-JZXOWHBKSA-N 1 2 441.550 0.018 20 0 ICADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001559914977 1073254390 /nfs/dbraw/zinc/25/43/90/1073254390.db2.gz AAOSWYCVLXRZHA-LZLYRXPVSA-N 1 2 441.550 0.018 20 0 ICADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001559914977 1073254386 /nfs/dbraw/zinc/25/43/86/1073254386.db2.gz AAOSWYCVLXRZHA-LZLYRXPVSA-N 1 2 441.550 0.018 20 0 ICADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001559914978 1073254067 /nfs/dbraw/zinc/25/40/67/1073254067.db2.gz AAOSWYCVLXRZHA-XYJFISCASA-N 1 2 441.550 0.018 20 0 ICADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001559914978 1073254061 /nfs/dbraw/zinc/25/40/61/1073254061.db2.gz AAOSWYCVLXRZHA-XYJFISCASA-N 1 2 441.550 0.018 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3CC[C@H](O)[C@H](CO)C3)cc2)C[C@@H](C)O1 ZINC001559915077 1073254310 /nfs/dbraw/zinc/25/43/10/1073254310.db2.gz CZPHNUZRUPTIQU-JEWRLFTDSA-N 1 2 441.550 0.098 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3CC[C@H](O)[C@H](CO)C3)cc2)C[C@@H](C)O1 ZINC001559915077 1073254301 /nfs/dbraw/zinc/25/43/01/1073254301.db2.gz CZPHNUZRUPTIQU-JEWRLFTDSA-N 1 2 441.550 0.098 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3CC[C@H](O)[C@@H](CO)C3)cc2)C[C@@H](C)O1 ZINC001559915078 1073254209 /nfs/dbraw/zinc/25/42/09/1073254209.db2.gz CZPHNUZRUPTIQU-NNFUDEMPSA-N 1 2 441.550 0.098 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)cc2)C[C@@H](C)O1 ZINC001559915078 1073254201 /nfs/dbraw/zinc/25/42/01/1073254201.db2.gz CZPHNUZRUPTIQU-NNFUDEMPSA-N 1 2 441.550 0.098 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3CC[C@H](O)[C@@H](CO)C3)cc2)C[C@H](C)O1 ZINC001559915079 1073254453 /nfs/dbraw/zinc/25/44/53/1073254453.db2.gz CZPHNUZRUPTIQU-OLMMMNRUSA-N 1 2 441.550 0.098 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)cc2)C[C@H](C)O1 ZINC001559915079 1073254444 /nfs/dbraw/zinc/25/44/44/1073254444.db2.gz CZPHNUZRUPTIQU-OLMMMNRUSA-N 1 2 441.550 0.098 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@H+]3CC[C@H](O)[C@H](CO)C3)cc2)C[C@H](C)O1 ZINC001559915080 1073254272 /nfs/dbraw/zinc/25/42/72/1073254272.db2.gz CZPHNUZRUPTIQU-RCJHGTSTSA-N 1 2 441.550 0.098 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[N@@H+]3CC[C@H](O)[C@H](CO)C3)cc2)C[C@H](C)O1 ZINC001559915080 1073254267 /nfs/dbraw/zinc/25/42/67/1073254267.db2.gz CZPHNUZRUPTIQU-RCJHGTSTSA-N 1 2 441.550 0.098 20 0 ICADLO Cc1nnc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)[nH]1 ZINC001559915341 1073254346 /nfs/dbraw/zinc/25/43/46/1073254346.db2.gz MMIOWOOJFPMXEO-GDBMZVCRSA-N 1 2 448.549 0.951 20 0 ICADLO Cc1nnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)[nH]1 ZINC001559915341 1073254339 /nfs/dbraw/zinc/25/43/39/1073254339.db2.gz MMIOWOOJFPMXEO-GDBMZVCRSA-N 1 2 448.549 0.951 20 0 ICADLO Cc1nnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)[nH]1 ZINC001559915342 1073254427 /nfs/dbraw/zinc/25/44/27/1073254427.db2.gz MMIOWOOJFPMXEO-GOEBONIOSA-N 1 2 448.549 0.951 20 0 ICADLO Cc1nnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)[nH]1 ZINC001559915342 1073254420 /nfs/dbraw/zinc/25/44/20/1073254420.db2.gz MMIOWOOJFPMXEO-GOEBONIOSA-N 1 2 448.549 0.951 20 0 ICADLO Cc1nnc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)[nH]1 ZINC001559915343 1073254179 /nfs/dbraw/zinc/25/41/79/1073254179.db2.gz MMIOWOOJFPMXEO-HOCLYGCPSA-N 1 2 448.549 0.951 20 0 ICADLO Cc1nnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)[nH]1 ZINC001559915343 1073254172 /nfs/dbraw/zinc/25/41/72/1073254172.db2.gz MMIOWOOJFPMXEO-HOCLYGCPSA-N 1 2 448.549 0.951 20 0 ICADLO Cc1nnc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)[nH]1 ZINC001559915344 1073255078 /nfs/dbraw/zinc/25/50/78/1073255078.db2.gz MMIOWOOJFPMXEO-ZBFHGGJFSA-N 1 2 448.549 0.951 20 0 ICADLO Cc1nnc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)[nH]1 ZINC001559915344 1073255068 /nfs/dbraw/zinc/25/50/68/1073255068.db2.gz MMIOWOOJFPMXEO-ZBFHGGJFSA-N 1 2 448.549 0.951 20 0 ICADLO O=C(C[N@H+]1CC[C@H](O)[C@@H](CO)C1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001559915722 1073255116 /nfs/dbraw/zinc/25/51/16/1073255116.db2.gz YKWBCPLIOLTQOY-APWZRJJASA-N 1 2 425.551 0.865 20 0 ICADLO O=C(C[N@@H+]1CC[C@H](O)[C@@H](CO)C1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001559915722 1073255109 /nfs/dbraw/zinc/25/51/09/1073255109.db2.gz YKWBCPLIOLTQOY-APWZRJJASA-N 1 2 425.551 0.865 20 0 ICADLO O=C(C[N@H+]1CC[C@H](O)[C@H](CO)C1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001559915723 1073255179 /nfs/dbraw/zinc/25/51/79/1073255179.db2.gz YKWBCPLIOLTQOY-LPHOPBHVSA-N 1 2 425.551 0.865 20 0 ICADLO O=C(C[N@@H+]1CC[C@H](O)[C@H](CO)C1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001559915723 1073255175 /nfs/dbraw/zinc/25/51/75/1073255175.db2.gz YKWBCPLIOLTQOY-LPHOPBHVSA-N 1 2 425.551 0.865 20 0 ICADLO O=C(C[N@H+]1CC[C@@H](O)[C@H](CO)C1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001559915724 1073255248 /nfs/dbraw/zinc/25/52/48/1073255248.db2.gz YKWBCPLIOLTQOY-QFBILLFUSA-N 1 2 425.551 0.865 20 0 ICADLO O=C(C[N@@H+]1CC[C@@H](O)[C@H](CO)C1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001559915724 1073255239 /nfs/dbraw/zinc/25/52/39/1073255239.db2.gz YKWBCPLIOLTQOY-QFBILLFUSA-N 1 2 425.551 0.865 20 0 ICADLO O=C(C[N@H+]1CC[C@@H](O)[C@@H](CO)C1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001559915725 1073255040 /nfs/dbraw/zinc/25/50/40/1073255040.db2.gz YKWBCPLIOLTQOY-VQIMIIECSA-N 1 2 425.551 0.865 20 0 ICADLO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001559915725 1073255029 /nfs/dbraw/zinc/25/50/29/1073255029.db2.gz YKWBCPLIOLTQOY-VQIMIIECSA-N 1 2 425.551 0.865 20 0 ICADLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC001559923841 1073256350 /nfs/dbraw/zinc/25/63/50/1073256350.db2.gz JBHDFJOEGVLQPP-GOSISDBHSA-N 1 2 436.553 0.381 20 0 ICADLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC001559923841 1073256341 /nfs/dbraw/zinc/25/63/41/1073256341.db2.gz JBHDFJOEGVLQPP-GOSISDBHSA-N 1 2 436.553 0.381 20 0 ICADLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC001559923842 1073256238 /nfs/dbraw/zinc/25/62/38/1073256238.db2.gz JBHDFJOEGVLQPP-SFHVURJKSA-N 1 2 436.553 0.381 20 0 ICADLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC001559923842 1073256235 /nfs/dbraw/zinc/25/62/35/1073256235.db2.gz JBHDFJOEGVLQPP-SFHVURJKSA-N 1 2 436.553 0.381 20 0 ICADLO O=C(C[N@H+]1CCC[C@H](n2ccnn2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001559928227 1073257312 /nfs/dbraw/zinc/25/73/12/1073257312.db2.gz RPSXFWISNVNEBL-KRWDZBQOSA-N 1 2 434.522 0.575 20 0 ICADLO O=C(C[N@@H+]1CCC[C@H](n2ccnn2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001559928227 1073257305 /nfs/dbraw/zinc/25/73/05/1073257305.db2.gz RPSXFWISNVNEBL-KRWDZBQOSA-N 1 2 434.522 0.575 20 0 ICADLO O=C(C[N@H+]1CCC[C@@H](n2ccnn2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001559928228 1073256999 /nfs/dbraw/zinc/25/69/99/1073256999.db2.gz RPSXFWISNVNEBL-QGZVFWFLSA-N 1 2 434.522 0.575 20 0 ICADLO O=C(C[N@@H+]1CCC[C@@H](n2ccnn2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001559928228 1073256987 /nfs/dbraw/zinc/25/69/87/1073256987.db2.gz RPSXFWISNVNEBL-QGZVFWFLSA-N 1 2 434.522 0.575 20 0 ICADLO COC(=O)[C@@H]1C[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C[C@H]1c1ccc(F)cc1F ZINC001559929012 1073257260 /nfs/dbraw/zinc/25/72/60/1073257260.db2.gz YFRRJXSLQADNKV-JKSUJKDBSA-N 1 2 428.461 0.865 20 0 ICADLO COC(=O)[C@@H]1C[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C[C@H]1c1ccc(F)cc1F ZINC001559929012 1073257253 /nfs/dbraw/zinc/25/72/53/1073257253.db2.gz YFRRJXSLQADNKV-JKSUJKDBSA-N 1 2 428.461 0.865 20 0 ICADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CCN(Cc2ccco2)CC1)C[C@H](O)CO ZINC001559932274 1073257209 /nfs/dbraw/zinc/25/72/09/1073257209.db2.gz ABJWVVSALCKNOV-KRWDZBQOSA-N 1 2 440.541 0.104 20 0 ICADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CCN(Cc2ccco2)CC1)C[C@H](O)CO ZINC001559932274 1073257205 /nfs/dbraw/zinc/25/72/05/1073257205.db2.gz ABJWVVSALCKNOV-KRWDZBQOSA-N 1 2 440.541 0.104 20 0 ICADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CCN(Cc2ccco2)CC1)C[C@@H](O)CO ZINC001559932276 1073257090 /nfs/dbraw/zinc/25/70/90/1073257090.db2.gz ABJWVVSALCKNOV-QGZVFWFLSA-N 1 2 440.541 0.104 20 0 ICADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CCN(Cc2ccco2)CC1)C[C@@H](O)CO ZINC001559932276 1073257081 /nfs/dbraw/zinc/25/70/81/1073257081.db2.gz ABJWVVSALCKNOV-QGZVFWFLSA-N 1 2 440.541 0.104 20 0 ICADLO CC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001559932596 1073257599 /nfs/dbraw/zinc/25/75/99/1073257599.db2.gz JBUWWLDWEZKJFT-RBUKOAKNSA-N 1 2 448.568 0.840 20 0 ICADLO CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001559932596 1073257591 /nfs/dbraw/zinc/25/75/91/1073257591.db2.gz JBUWWLDWEZKJFT-RBUKOAKNSA-N 1 2 448.568 0.840 20 0 ICADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC001559932745 1073257724 /nfs/dbraw/zinc/25/77/24/1073257724.db2.gz HRUZRHIVFSENGS-UHFFFAOYSA-N 1 2 447.536 0.565 20 0 ICADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC001559933484 1073257844 /nfs/dbraw/zinc/25/78/44/1073257844.db2.gz VXWMORQMCPXLPG-UHFFFAOYSA-N 1 2 439.538 0.087 20 0 ICADLO O=C(C[N@H+]1CCO[C@@]2(CCSC2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001559934789 1073257819 /nfs/dbraw/zinc/25/78/19/1073257819.db2.gz QXBFZRMIXWUYKC-IBGZPJMESA-N 1 2 443.566 0.867 20 0 ICADLO O=C(C[N@@H+]1CCO[C@@]2(CCSC2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001559934789 1073257808 /nfs/dbraw/zinc/25/78/08/1073257808.db2.gz QXBFZRMIXWUYKC-IBGZPJMESA-N 1 2 443.566 0.867 20 0 ICADLO O=C(C[N@H+]1CCO[C@]2(CCSC2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001559934793 1073257891 /nfs/dbraw/zinc/25/78/91/1073257891.db2.gz QXBFZRMIXWUYKC-LJQANCHMSA-N 1 2 443.566 0.867 20 0 ICADLO O=C(C[N@@H+]1CCO[C@]2(CCSC2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001559934793 1073257877 /nfs/dbraw/zinc/25/78/77/1073257877.db2.gz QXBFZRMIXWUYKC-LJQANCHMSA-N 1 2 443.566 0.867 20 0 ICADLO Cn1ccnc1[C@H]([NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C(C)(C)CO ZINC001559946052 1073258920 /nfs/dbraw/zinc/25/89/20/1073258920.db2.gz JUCAYMONRATVOH-FQEVSTJZSA-N 1 2 443.548 0.858 20 0 ICADLO Cn1ccnc1[C@@H]([NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C(C)(C)CO ZINC001559946053 1073259023 /nfs/dbraw/zinc/25/90/23/1073259023.db2.gz JUCAYMONRATVOH-HXUWFJFHSA-N 1 2 443.548 0.858 20 0 ICADLO Nc1nnc(C2CC[NH+](CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2)o1 ZINC001559960055 1073260301 /nfs/dbraw/zinc/26/03/01/1073260301.db2.gz NOJNCZGJOAWDKD-UHFFFAOYSA-N 1 2 428.493 0.620 20 0 ICADLO O=C(C[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1)NCCN1C(=O)SC(=Cc2cccnc2)C1=O ZINC001559969328 1073260925 /nfs/dbraw/zinc/26/09/25/1073260925.db2.gz AEFFAYFIYBYZPV-NEBPRWJUSA-N 1 2 445.501 0.664 20 0 ICADLO O=C(C[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1)NCCN1C(=O)SC(=Cc2cccnc2)C1=O ZINC001559969328 1073260917 /nfs/dbraw/zinc/26/09/17/1073260917.db2.gz AEFFAYFIYBYZPV-NEBPRWJUSA-N 1 2 445.501 0.664 20 0 ICADLO O=C(C[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1)NCCN1C(=O)SC(=Cc2cccnc2)C1=O ZINC001559969329 1073260786 /nfs/dbraw/zinc/26/07/86/1073260786.db2.gz AEFFAYFIYBYZPV-WUZGPZNUSA-N 1 2 445.501 0.664 20 0 ICADLO O=C(C[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1)NCCN1C(=O)SC(=Cc2cccnc2)C1=O ZINC001559969329 1073260777 /nfs/dbraw/zinc/26/07/77/1073260777.db2.gz AEFFAYFIYBYZPV-WUZGPZNUSA-N 1 2 445.501 0.664 20 0 ICADLO O=S(=O)(NCc1ccccc1)N1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC001559975035 1073261545 /nfs/dbraw/zinc/26/15/45/1073261545.db2.gz CTAFSQHNZMPWHX-UHFFFAOYSA-N 1 2 427.534 0.857 20 0 ICADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC001559976465 1073261680 /nfs/dbraw/zinc/26/16/80/1073261680.db2.gz UQLSSVSRWXAPLU-INIZCTEOSA-N 1 2 436.534 0.743 20 0 ICADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC001559976465 1073261670 /nfs/dbraw/zinc/26/16/70/1073261670.db2.gz UQLSSVSRWXAPLU-INIZCTEOSA-N 1 2 436.534 0.743 20 0 ICADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC001559976466 1073261606 /nfs/dbraw/zinc/26/16/06/1073261606.db2.gz UQLSSVSRWXAPLU-MRXNPFEDSA-N 1 2 436.534 0.743 20 0 ICADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC001559976466 1073261595 /nfs/dbraw/zinc/26/15/95/1073261595.db2.gz UQLSSVSRWXAPLU-MRXNPFEDSA-N 1 2 436.534 0.743 20 0 ICADLO C[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C[C@H]1COCCO1 ZINC001559981564 1073262152 /nfs/dbraw/zinc/26/21/52/1073262152.db2.gz SJOCPAYEORNMFP-HNNXBMFYSA-N 1 2 447.941 0.647 20 0 ICADLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C[C@H]1COCCO1 ZINC001559981564 1073262150 /nfs/dbraw/zinc/26/21/50/1073262150.db2.gz SJOCPAYEORNMFP-HNNXBMFYSA-N 1 2 447.941 0.647 20 0 ICADLO C[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C[C@@H]1COCCO1 ZINC001559981565 1073262052 /nfs/dbraw/zinc/26/20/52/1073262052.db2.gz SJOCPAYEORNMFP-OAHLLOKOSA-N 1 2 447.941 0.647 20 0 ICADLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C[C@@H]1COCCO1 ZINC001559981565 1073262047 /nfs/dbraw/zinc/26/20/47/1073262047.db2.gz SJOCPAYEORNMFP-OAHLLOKOSA-N 1 2 447.941 0.647 20 0 ICADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@H]4NC(=O)CC[C@@H]4C3)C2=O)cc1 ZINC001559981594 1073262204 /nfs/dbraw/zinc/26/22/04/1073262204.db2.gz UOAMEBUENWSJRY-FQWGINHLSA-N 1 2 429.477 0.094 20 0 ICADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@H]4NC(=O)CC[C@@H]4C3)C2=O)cc1 ZINC001559981594 1073262200 /nfs/dbraw/zinc/26/22/00/1073262200.db2.gz UOAMEBUENWSJRY-FQWGINHLSA-N 1 2 429.477 0.094 20 0 ICADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)C2=O)cc1 ZINC001559981595 1073261940 /nfs/dbraw/zinc/26/19/40/1073261940.db2.gz UOAMEBUENWSJRY-PCMMCCAGSA-N 1 2 429.477 0.094 20 0 ICADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)C2=O)cc1 ZINC001559981595 1073261927 /nfs/dbraw/zinc/26/19/27/1073261927.db2.gz UOAMEBUENWSJRY-PCMMCCAGSA-N 1 2 429.477 0.094 20 0 ICADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@H]4NC(=O)CC[C@H]4C3)C2=O)cc1 ZINC001559981596 1073261855 /nfs/dbraw/zinc/26/18/55/1073261855.db2.gz UOAMEBUENWSJRY-QSZISKGPSA-N 1 2 429.477 0.094 20 0 ICADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@H]4NC(=O)CC[C@H]4C3)C2=O)cc1 ZINC001559981596 1073261841 /nfs/dbraw/zinc/26/18/41/1073261841.db2.gz UOAMEBUENWSJRY-QSZISKGPSA-N 1 2 429.477 0.094 20 0 ICADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)C2=O)cc1 ZINC001559981597 1073262133 /nfs/dbraw/zinc/26/21/33/1073262133.db2.gz UOAMEBUENWSJRY-QTPGKHNVSA-N 1 2 429.477 0.094 20 0 ICADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)C2=O)cc1 ZINC001559981597 1073262125 /nfs/dbraw/zinc/26/21/25/1073262125.db2.gz UOAMEBUENWSJRY-QTPGKHNVSA-N 1 2 429.477 0.094 20 0 ICADLO C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCC(O)(CO)CC3)cc2)C[C@H](C)O1 ZINC001559982383 1073262632 /nfs/dbraw/zinc/26/26/32/1073262632.db2.gz NVDLAESPZIBCHJ-HOTGVXAUSA-N 1 2 441.550 0.242 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCC(O)(CO)CC3)cc2)C[C@@H](C)O1 ZINC001559982384 1073262621 /nfs/dbraw/zinc/26/26/21/1073262621.db2.gz NVDLAESPZIBCHJ-HZPDHXFCSA-N 1 2 441.550 0.242 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCC(O)(CO)CC3)cc2)C[C@H](C)O1 ZINC001559982385 1073262777 /nfs/dbraw/zinc/26/27/77/1073262777.db2.gz NVDLAESPZIBCHJ-IYBDPMFKSA-N 1 2 441.550 0.242 20 0 ICADLO CO[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001559984099 1073263271 /nfs/dbraw/zinc/26/32/71/1073263271.db2.gz QQTSCQLIPJFLSC-IBGZPJMESA-N 1 2 427.523 0.119 20 0 ICADLO CO[C@@]1(CO)CCC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001559984099 1073263265 /nfs/dbraw/zinc/26/32/65/1073263265.db2.gz QQTSCQLIPJFLSC-IBGZPJMESA-N 1 2 427.523 0.119 20 0 ICADLO CO[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001559984100 1073263178 /nfs/dbraw/zinc/26/31/78/1073263178.db2.gz QQTSCQLIPJFLSC-LJQANCHMSA-N 1 2 427.523 0.119 20 0 ICADLO CO[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001559984100 1073263172 /nfs/dbraw/zinc/26/31/72/1073263172.db2.gz QQTSCQLIPJFLSC-LJQANCHMSA-N 1 2 427.523 0.119 20 0 ICADLO COC(OC)C(=O)N1CC[NH+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC001559984982 1073263086 /nfs/dbraw/zinc/26/30/86/1073263086.db2.gz ALZUSXUOIYREPH-UHFFFAOYSA-N 1 2 438.550 0.818 20 0 ICADLO CN1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCC1=O ZINC001559989475 1073263811 /nfs/dbraw/zinc/26/38/11/1073263811.db2.gz QBCDWSMSLLJTTG-UHFFFAOYSA-N 1 2 448.589 0.562 20 0 ICADLO CN1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCC1=O ZINC001559989475 1073263800 /nfs/dbraw/zinc/26/38/00/1073263800.db2.gz QBCDWSMSLLJTTG-UHFFFAOYSA-N 1 2 448.589 0.562 20 0 ICADLO COCCn1c(N)c(C(=O)C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c(=O)[nH]c1=O ZINC001560007171 1073264846 /nfs/dbraw/zinc/26/48/46/1073264846.db2.gz WLMCAYHTVWYXKH-IAQYHMDHSA-N 1 2 442.394 0.884 20 0 ICADLO CN1c2ccccc2C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC001560007863 1073265513 /nfs/dbraw/zinc/26/55/13/1073265513.db2.gz VWNCFAIESGTEOK-UHFFFAOYSA-N 1 2 430.530 0.861 20 0 ICADLO CN1c2ccccc2C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC001560007863 1073265510 /nfs/dbraw/zinc/26/55/10/1073265510.db2.gz VWNCFAIESGTEOK-UHFFFAOYSA-N 1 2 430.530 0.861 20 0 ICADLO COC(=O)[C@@]1(OC)CC[N@H+]([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC001560009921 1073265677 /nfs/dbraw/zinc/26/56/77/1073265677.db2.gz HGYJMRGJRFYTDH-AUUYWEPGSA-N 1 2 427.523 0.964 20 0 ICADLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC001560009921 1073265663 /nfs/dbraw/zinc/26/56/63/1073265663.db2.gz HGYJMRGJRFYTDH-AUUYWEPGSA-N 1 2 427.523 0.964 20 0 ICADLO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC001560009922 1073265575 /nfs/dbraw/zinc/26/55/75/1073265575.db2.gz HGYJMRGJRFYTDH-IFXJQAMLSA-N 1 2 427.523 0.964 20 0 ICADLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC001560009922 1073265568 /nfs/dbraw/zinc/26/55/68/1073265568.db2.gz HGYJMRGJRFYTDH-IFXJQAMLSA-N 1 2 427.523 0.964 20 0 ICADLO COC(=O)[C@]1(OC)CC[N@H+]([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC001560009923 1073265444 /nfs/dbraw/zinc/26/54/44/1073265444.db2.gz HGYJMRGJRFYTDH-KUHUBIRLSA-N 1 2 427.523 0.964 20 0 ICADLO COC(=O)[C@]1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC001560009923 1073265434 /nfs/dbraw/zinc/26/54/34/1073265434.db2.gz HGYJMRGJRFYTDH-KUHUBIRLSA-N 1 2 427.523 0.964 20 0 ICADLO COC(=O)[C@]1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC001560009924 1073265317 /nfs/dbraw/zinc/26/53/17/1073265317.db2.gz HGYJMRGJRFYTDH-LIRRHRJNSA-N 1 2 427.523 0.964 20 0 ICADLO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC001560009924 1073265308 /nfs/dbraw/zinc/26/53/08/1073265308.db2.gz HGYJMRGJRFYTDH-LIRRHRJNSA-N 1 2 427.523 0.964 20 0 ICADLO COC(=O)[C@@]1(N2CC[NH+]([C@@H](C)C(=O)N3CCN(c4ccccc4O)CC3)CC2)CCOC1 ZINC001560012726 1073266020 /nfs/dbraw/zinc/26/60/20/1073266020.db2.gz XBEODNLYVXYHCZ-FDDCHVKYSA-N 1 2 446.548 0.379 20 0 ICADLO COC(=O)[C@]1(N2CC[NH+]([C@H](C)C(=O)N3CCN(c4ccccc4O)CC3)CC2)CCOC1 ZINC001560012727 1073266308 /nfs/dbraw/zinc/26/63/08/1073266308.db2.gz XBEODNLYVXYHCZ-JPYJTQIMSA-N 1 2 446.548 0.379 20 0 ICADLO COC(=O)[C@]1(N2CC[NH+]([C@@H](C)C(=O)N3CCN(c4ccccc4O)CC3)CC2)CCOC1 ZINC001560012728 1073266137 /nfs/dbraw/zinc/26/61/37/1073266137.db2.gz XBEODNLYVXYHCZ-MBSDFSHPSA-N 1 2 446.548 0.379 20 0 ICADLO COC(=O)[C@@]1(N2CC[NH+]([C@H](C)C(=O)N3CCN(c4ccccc4O)CC3)CC2)CCOC1 ZINC001560012729 1073266407 /nfs/dbraw/zinc/26/64/07/1073266407.db2.gz XBEODNLYVXYHCZ-WZONZLPQSA-N 1 2 446.548 0.379 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCO[C@H](CC(F)(F)F)C2)CC1 ZINC001560016308 1073267011 /nfs/dbraw/zinc/26/70/11/1073267011.db2.gz BCJIQHSRVBSJHK-CYBMUJFWSA-N 1 2 427.431 0.665 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCO[C@@H](CC(F)(F)F)C2)CC1 ZINC001560016309 1073267484 /nfs/dbraw/zinc/26/74/84/1073267484.db2.gz BCJIQHSRVBSJHK-ZDUSSCGKSA-N 1 2 427.431 0.665 20 0 ICADLO NC(=O)c1cc(F)ccc1N1CC[NH+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC001560023462 1073267567 /nfs/dbraw/zinc/26/75/67/1073267567.db2.gz YJLKHXXJLQBXHR-UHFFFAOYSA-N 1 2 445.539 0.908 20 0 ICADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC001560027086 1073268266 /nfs/dbraw/zinc/26/82/66/1073268266.db2.gz QAWIVMYTHHGAQQ-AWEZNQCLSA-N 1 2 430.530 0.538 20 0 ICADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC001560027086 1073268255 /nfs/dbraw/zinc/26/82/55/1073268255.db2.gz QAWIVMYTHHGAQQ-AWEZNQCLSA-N 1 2 430.530 0.538 20 0 ICADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC001560027087 1073268381 /nfs/dbraw/zinc/26/83/81/1073268381.db2.gz QAWIVMYTHHGAQQ-CQSZACIVSA-N 1 2 430.530 0.538 20 0 ICADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC001560027087 1073268375 /nfs/dbraw/zinc/26/83/75/1073268375.db2.gz QAWIVMYTHHGAQQ-CQSZACIVSA-N 1 2 430.530 0.538 20 0 ICADLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)s1 ZINC001560030421 1073268112 /nfs/dbraw/zinc/26/81/12/1073268112.db2.gz XEUNDPLCKDFJAS-CYBMUJFWSA-N 1 2 444.579 0.649 20 0 ICADLO COC(=O)c1cnc([C@@H]2CCC[N@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)s1 ZINC001560030421 1073268102 /nfs/dbraw/zinc/26/81/02/1073268102.db2.gz XEUNDPLCKDFJAS-CYBMUJFWSA-N 1 2 444.579 0.649 20 0 ICADLO COC(=O)c1cnc([C@H]2CCC[N@@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)s1 ZINC001560030422 1073268228 /nfs/dbraw/zinc/26/82/28/1073268228.db2.gz XEUNDPLCKDFJAS-ZDUSSCGKSA-N 1 2 444.579 0.649 20 0 ICADLO COC(=O)c1cnc([C@H]2CCC[N@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)s1 ZINC001560030422 1073268221 /nfs/dbraw/zinc/26/82/21/1073268221.db2.gz XEUNDPLCKDFJAS-ZDUSSCGKSA-N 1 2 444.579 0.649 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC001560035050 1073268927 /nfs/dbraw/zinc/26/89/27/1073268927.db2.gz LAUQYUJAIBVQBA-HNNXBMFYSA-N 1 2 428.555 0.684 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC001560035051 1073269026 /nfs/dbraw/zinc/26/90/26/1073269026.db2.gz LAUQYUJAIBVQBA-OAHLLOKOSA-N 1 2 428.555 0.684 20 0 ICADLO Cc1cccc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)c1 ZINC001560039245 1073269466 /nfs/dbraw/zinc/26/94/66/1073269466.db2.gz NPZQRXBUYZGUEW-AWEZNQCLSA-N 1 2 427.505 0.440 20 0 ICADLO Cc1cccc(C(=O)NC2CC[NH+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)c1 ZINC001560039246 1073269441 /nfs/dbraw/zinc/26/94/41/1073269441.db2.gz NPZQRXBUYZGUEW-CQSZACIVSA-N 1 2 427.505 0.440 20 0 ICADLO COc1c(C)[nH]cc(C[N@@H+](C)CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1=O ZINC001560043898 1073270454 /nfs/dbraw/zinc/27/04/54/1073270454.db2.gz NPXPNXJEKZGLJP-UHFFFAOYSA-N 1 2 442.516 0.913 20 0 ICADLO COc1c(C)[nH]cc(C[N@H+](C)CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1=O ZINC001560043898 1073270445 /nfs/dbraw/zinc/27/04/45/1073270445.db2.gz NPXPNXJEKZGLJP-UHFFFAOYSA-N 1 2 442.516 0.913 20 0 ICADLO COc1c(C)[nH]cc(C[N@@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O ZINC001560044163 1073270124 /nfs/dbraw/zinc/27/01/24/1073270124.db2.gz WUGSWAAZMRONJD-UHFFFAOYSA-N 1 2 448.545 0.657 20 0 ICADLO COc1c(C)[nH]cc(C[N@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O ZINC001560044163 1073270111 /nfs/dbraw/zinc/27/01/11/1073270111.db2.gz WUGSWAAZMRONJD-UHFFFAOYSA-N 1 2 448.545 0.657 20 0 ICADLO O=c1cc(C[NH+]2CCN(c3ncc(I)cn3)CC2)[nH]c2ccnn21 ZINC001560049466 1073270944 /nfs/dbraw/zinc/27/09/44/1073270944.db2.gz CCSGDOFYGCBNOT-UHFFFAOYSA-N 1 2 437.245 0.739 20 0 ICADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)CC1 ZINC001560056171 1073271766 /nfs/dbraw/zinc/27/17/66/1073271766.db2.gz AFCUHYVDCMTWMK-UHFFFAOYSA-N 1 2 437.585 0.058 20 0 ICADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)CC1 ZINC001560056171 1073271762 /nfs/dbraw/zinc/27/17/62/1073271762.db2.gz AFCUHYVDCMTWMK-UHFFFAOYSA-N 1 2 437.585 0.058 20 0 ICADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC001560056709 1073272124 /nfs/dbraw/zinc/27/21/24/1073272124.db2.gz SHIKWFKENBOANO-UHFFFAOYSA-N 1 2 444.454 0.871 20 0 ICADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC001560056709 1073272116 /nfs/dbraw/zinc/27/21/16/1073272116.db2.gz SHIKWFKENBOANO-UHFFFAOYSA-N 1 2 444.454 0.871 20 0 ICADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC001560056753 1073272275 /nfs/dbraw/zinc/27/22/75/1073272275.db2.gz UEHGVOYKZZQFNJ-UHFFFAOYSA-N 1 2 443.548 0.096 20 0 ICADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC001560056753 1073272265 /nfs/dbraw/zinc/27/22/65/1073272265.db2.gz UEHGVOYKZZQFNJ-UHFFFAOYSA-N 1 2 443.548 0.096 20 0 ICADLO CCOc1cc(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)nc2nc(C(F)(F)F)nn21 ZINC001560056841 1073272385 /nfs/dbraw/zinc/27/23/85/1073272385.db2.gz XBTZRIKHZSVPIE-UHFFFAOYSA-N 1 2 443.430 0.712 20 0 ICADLO CCOc1cc(C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)nc2nc(C(F)(F)F)nn21 ZINC001560056841 1073272377 /nfs/dbraw/zinc/27/23/77/1073272377.db2.gz XBTZRIKHZSVPIE-UHFFFAOYSA-N 1 2 443.430 0.712 20 0 ICADLO C[C@]1(CO)C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C[C@@]1(C)CO ZINC001560064724 1073273751 /nfs/dbraw/zinc/27/37/51/1073273751.db2.gz RYMAJZVGIJFFMO-BGYRXZFFSA-N 1 2 425.551 0.722 20 0 ICADLO C[C@]1(CO)C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C[C@@]1(C)CO ZINC001560064724 1073273738 /nfs/dbraw/zinc/27/37/38/1073273738.db2.gz RYMAJZVGIJFFMO-BGYRXZFFSA-N 1 2 425.551 0.722 20 0 ICADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4c(=O)[nH]n(C)c4C3)CC2)cc1C ZINC001560070965 1073274293 /nfs/dbraw/zinc/27/42/93/1073274293.db2.gz UOYNXYQBPRSIPJ-UHFFFAOYSA-N 1 2 447.561 0.634 20 0 ICADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4c(=O)[nH]n(C)c4C3)CC2)cc1C ZINC001560070965 1073274287 /nfs/dbraw/zinc/27/42/87/1073274287.db2.gz UOYNXYQBPRSIPJ-UHFFFAOYSA-N 1 2 447.561 0.634 20 0 ICADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC001560072754 1073274955 /nfs/dbraw/zinc/27/49/55/1073274955.db2.gz RZSKAWSJJQPPHV-IBGZPJMESA-N 1 2 440.541 0.752 20 0 ICADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC001560072755 1073275096 /nfs/dbraw/zinc/27/50/96/1073275096.db2.gz RZSKAWSJJQPPHV-LJQANCHMSA-N 1 2 440.541 0.752 20 0 ICADLO CCN(CC)S(=O)(=O)N1CC[NH+](CCOCCN2C(=O)c3ccccc3C2=O)CC1 ZINC001560075243 1073275539 /nfs/dbraw/zinc/27/55/39/1073275539.db2.gz YKHAURCGKZTITB-UHFFFAOYSA-N 1 2 438.550 0.503 20 0 ICADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](CC2CC2)[C@H](C(N)=O)C2CC2)C1=O ZINC001560081805 1073275783 /nfs/dbraw/zinc/27/57/83/1073275783.db2.gz OCUVOHPPGUYNKT-AVRDEDQJSA-N 1 2 427.505 0.851 20 0 ICADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)C1=O ZINC001560081805 1073275772 /nfs/dbraw/zinc/27/57/72/1073275772.db2.gz OCUVOHPPGUYNKT-AVRDEDQJSA-N 1 2 427.505 0.851 20 0 ICADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)C1=O ZINC001560081806 1073275622 /nfs/dbraw/zinc/27/56/22/1073275622.db2.gz OCUVOHPPGUYNKT-GCJKJVERSA-N 1 2 427.505 0.851 20 0 ICADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)C1=O ZINC001560081806 1073275611 /nfs/dbraw/zinc/27/56/11/1073275611.db2.gz OCUVOHPPGUYNKT-GCJKJVERSA-N 1 2 427.505 0.851 20 0 ICADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](CC2CC2)[C@H](C(N)=O)C2CC2)C1=O ZINC001560081807 1073276584 /nfs/dbraw/zinc/27/65/84/1073276584.db2.gz OCUVOHPPGUYNKT-PGRDOPGGSA-N 1 2 427.505 0.851 20 0 ICADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)C1=O ZINC001560081807 1073276578 /nfs/dbraw/zinc/27/65/78/1073276578.db2.gz OCUVOHPPGUYNKT-PGRDOPGGSA-N 1 2 427.505 0.851 20 0 ICADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)C1=O ZINC001560081808 1073276312 /nfs/dbraw/zinc/27/63/12/1073276312.db2.gz OCUVOHPPGUYNKT-XMSQKQJNSA-N 1 2 427.505 0.851 20 0 ICADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)C1=O ZINC001560081808 1073276292 /nfs/dbraw/zinc/27/62/92/1073276292.db2.gz OCUVOHPPGUYNKT-XMSQKQJNSA-N 1 2 427.505 0.851 20 0 ICADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001560085056 1073276556 /nfs/dbraw/zinc/27/65/56/1073276556.db2.gz LDJFZMJWQBMONC-NVXWUHKLSA-N 1 2 425.507 0.408 20 0 ICADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001560085056 1073276552 /nfs/dbraw/zinc/27/65/52/1073276552.db2.gz LDJFZMJWQBMONC-NVXWUHKLSA-N 1 2 425.507 0.408 20 0 ICADLO NS(=O)(=O)c1ccc(CCNC(=O)CCN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC001560085355 1073276540 /nfs/dbraw/zinc/27/65/40/1073276540.db2.gz WIRAMSHZTHAPSZ-UHFFFAOYSA-N 1 2 446.573 0.906 20 0 ICADLO CC1CC[NH+](Cc2csc(NC(=O)CNC3(C(N)=O)CCS(=O)(=O)CC3)n2)CC1 ZINC001560085945 1073276488 /nfs/dbraw/zinc/27/64/88/1073276488.db2.gz PTPFLQNUHILWEP-UHFFFAOYSA-N 1 2 443.595 0.336 20 0 ICADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001560091569 1073277147 /nfs/dbraw/zinc/27/71/47/1073277147.db2.gz MJXPFETZPHHMRJ-KRWDZBQOSA-N 1 2 446.577 0.914 20 0 ICADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001560091570 1073277080 /nfs/dbraw/zinc/27/70/80/1073277080.db2.gz MJXPFETZPHHMRJ-QGZVFWFLSA-N 1 2 446.577 0.914 20 0 ICADLO C[C@H](NC(=O)CNC(=O)CN1CC[NH+](CCc2cnccn2)CC1)c1ccc(F)cc1 ZINC001560091649 1073276956 /nfs/dbraw/zinc/27/69/56/1073276956.db2.gz OLSDKEHOKUGIHP-KRWDZBQOSA-N 1 2 428.512 0.769 20 0 ICADLO C[C@@H](NC(=O)CNC(=O)CN1CC[NH+](CCc2cnccn2)CC1)c1ccc(F)cc1 ZINC001560091650 1073276925 /nfs/dbraw/zinc/27/69/25/1073276925.db2.gz OLSDKEHOKUGIHP-QGZVFWFLSA-N 1 2 428.512 0.769 20 0 ICADLO COc1cccc(NC(=O)CN(C)C(=O)CN2CC[NH+](CCc3cnccn3)CC2)c1 ZINC001560092265 1073277055 /nfs/dbraw/zinc/27/70/55/1073277055.db2.gz UGRGTYIDYLKSGH-UHFFFAOYSA-N 1 2 426.521 0.742 20 0 ICADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001560095316 1073277524 /nfs/dbraw/zinc/27/75/24/1073277524.db2.gz KDQYYCYWXYDRGC-MRXNPFEDSA-N 1 2 432.587 0.906 20 0 ICADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001560095316 1073277521 /nfs/dbraw/zinc/27/75/21/1073277521.db2.gz KDQYYCYWXYDRGC-MRXNPFEDSA-N 1 2 432.587 0.906 20 0 ICADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001560096231 1073277669 /nfs/dbraw/zinc/27/76/69/1073277669.db2.gz PULIXNGEOZPDJR-SFHVURJKSA-N 1 2 440.566 0.156 20 0 ICADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001560096231 1073277660 /nfs/dbraw/zinc/27/76/60/1073277660.db2.gz PULIXNGEOZPDJR-SFHVURJKSA-N 1 2 440.566 0.156 20 0 ICADLO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC001560098950 1073277598 /nfs/dbraw/zinc/27/75/98/1073277598.db2.gz XEUPJHLEIRLKSA-FQEVSTJZSA-N 1 2 439.534 0.087 20 0 ICADLO COC(=O)[C@]1(O)CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC001560098950 1073277594 /nfs/dbraw/zinc/27/75/94/1073277594.db2.gz XEUPJHLEIRLKSA-FQEVSTJZSA-N 1 2 439.534 0.087 20 0 ICADLO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC001560098951 1073278206 /nfs/dbraw/zinc/27/82/06/1073278206.db2.gz XEUPJHLEIRLKSA-HXUWFJFHSA-N 1 2 439.534 0.087 20 0 ICADLO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 ZINC001560098951 1073278202 /nfs/dbraw/zinc/27/82/02/1073278202.db2.gz XEUPJHLEIRLKSA-HXUWFJFHSA-N 1 2 439.534 0.087 20 0 ICADLO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001560113443 1073278169 /nfs/dbraw/zinc/27/81/69/1073278169.db2.gz IXTFYJGJTZLBFD-KRWDZBQOSA-N 1 2 427.523 0.777 20 0 ICADLO COC1(OC)CCOC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001560113444 1073278093 /nfs/dbraw/zinc/27/80/93/1073278093.db2.gz IXTFYJGJTZLBFD-QGZVFWFLSA-N 1 2 427.523 0.777 20 0 ICADLO COc1ccc(NC(=O)C[NH+]2CCC(Cc3nn[nH]n3)CC2)cc1S(=O)(=O)N(C)C ZINC001560114218 1073278658 /nfs/dbraw/zinc/27/86/58/1073278658.db2.gz GTHRNTAKGFCBTB-UHFFFAOYSA-N 1 2 437.526 0.352 20 0 ICADLO O=C(C[NH+]1CCC(Cc2nn[nH]n2)CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001560114369 1073278894 /nfs/dbraw/zinc/27/88/94/1073278894.db2.gz LHFFDZOQXKUZDD-UHFFFAOYSA-N 1 2 449.537 0.114 20 0 ICADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001560114901 1073278691 /nfs/dbraw/zinc/27/86/91/1073278691.db2.gz GPBIOBRWTAUJRK-AWEZNQCLSA-N 1 2 436.538 0.376 20 0 ICADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001560114902 1073278615 /nfs/dbraw/zinc/27/86/15/1073278615.db2.gz GPBIOBRWTAUJRK-CQSZACIVSA-N 1 2 436.538 0.376 20 0 ICADLO Cn1nnnc1C1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC001560120086 1073278723 /nfs/dbraw/zinc/27/87/23/1073278723.db2.gz HSCOJUHZPSCBHJ-UHFFFAOYSA-N 1 2 433.538 0.813 20 0 ICADLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC12COC2 ZINC001560123387 1073279498 /nfs/dbraw/zinc/27/94/98/1073279498.db2.gz XIKLSCDHJILCFF-HNNXBMFYSA-N 1 2 425.507 0.353 20 0 ICADLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC12COC2 ZINC001560123387 1073279481 /nfs/dbraw/zinc/27/94/81/1073279481.db2.gz XIKLSCDHJILCFF-HNNXBMFYSA-N 1 2 425.507 0.353 20 0 ICADLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC12COC2 ZINC001560123388 1073279215 /nfs/dbraw/zinc/27/92/15/1073279215.db2.gz XIKLSCDHJILCFF-OAHLLOKOSA-N 1 2 425.507 0.353 20 0 ICADLO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC12COC2 ZINC001560123388 1073279210 /nfs/dbraw/zinc/27/92/10/1073279210.db2.gz XIKLSCDHJILCFF-OAHLLOKOSA-N 1 2 425.507 0.353 20 0 ICADLO CCn1c(C[N@H+]2CC[C@@H](CNS(C)(=O)=O)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001560125474 1073279959 /nfs/dbraw/zinc/27/99/59/1073279959.db2.gz BRKGEDOEWSJIBS-AWEZNQCLSA-N 1 2 443.595 0.678 20 0 ICADLO CCn1c(C[N@@H+]2CC[C@@H](CNS(C)(=O)=O)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001560125474 1073279956 /nfs/dbraw/zinc/27/99/56/1073279956.db2.gz BRKGEDOEWSJIBS-AWEZNQCLSA-N 1 2 443.595 0.678 20 0 ICADLO CCn1c(C[N@H+]2CC[C@H](CNS(C)(=O)=O)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001560125475 1073279987 /nfs/dbraw/zinc/27/99/87/1073279987.db2.gz BRKGEDOEWSJIBS-CQSZACIVSA-N 1 2 443.595 0.678 20 0 ICADLO CCn1c(C[N@@H+]2CC[C@H](CNS(C)(=O)=O)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001560125475 1073279986 /nfs/dbraw/zinc/27/99/86/1073279986.db2.gz BRKGEDOEWSJIBS-CQSZACIVSA-N 1 2 443.595 0.678 20 0 ICADLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)CCC1 ZINC001560136622 1073280729 /nfs/dbraw/zinc/28/07/29/1073280729.db2.gz YMPOZGNASQMIRS-CVEARBPZSA-N 1 2 449.614 0.902 20 0 ICADLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)CCC1 ZINC001560136622 1073280724 /nfs/dbraw/zinc/28/07/24/1073280724.db2.gz YMPOZGNASQMIRS-CVEARBPZSA-N 1 2 449.614 0.902 20 0 ICADLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)CCC1 ZINC001560136623 1073280568 /nfs/dbraw/zinc/28/05/68/1073280568.db2.gz YMPOZGNASQMIRS-HOTGVXAUSA-N 1 2 449.614 0.902 20 0 ICADLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)CCC1 ZINC001560136623 1073280557 /nfs/dbraw/zinc/28/05/57/1073280557.db2.gz YMPOZGNASQMIRS-HOTGVXAUSA-N 1 2 449.614 0.902 20 0 ICADLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)CCC1 ZINC001560136624 1073280615 /nfs/dbraw/zinc/28/06/15/1073280615.db2.gz YMPOZGNASQMIRS-HZPDHXFCSA-N 1 2 449.614 0.902 20 0 ICADLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)CCC1 ZINC001560136624 1073280610 /nfs/dbraw/zinc/28/06/10/1073280610.db2.gz YMPOZGNASQMIRS-HZPDHXFCSA-N 1 2 449.614 0.902 20 0 ICADLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)CCC1 ZINC001560136625 1073280649 /nfs/dbraw/zinc/28/06/49/1073280649.db2.gz YMPOZGNASQMIRS-JKSUJKDBSA-N 1 2 449.614 0.902 20 0 ICADLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)CCC1 ZINC001560136625 1073280644 /nfs/dbraw/zinc/28/06/44/1073280644.db2.gz YMPOZGNASQMIRS-JKSUJKDBSA-N 1 2 449.614 0.902 20 0 ICADLO COc1ccc(C[NH+]2CCN(C(=O)CN(C)Cc3nnc4n3CCN(C)C4=O)CC2)cc1 ZINC001560136977 1073281350 /nfs/dbraw/zinc/28/13/50/1073281350.db2.gz NXUJJPHLRWADEB-UHFFFAOYSA-N 1 2 441.536 0.149 20 0 ICADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC001560138768 1073281136 /nfs/dbraw/zinc/28/11/36/1073281136.db2.gz QBYWFZKHWLQVGH-IKDJWVMYSA-N 1 2 449.533 0.529 20 0 ICADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC001560138768 1073281124 /nfs/dbraw/zinc/28/11/24/1073281124.db2.gz QBYWFZKHWLQVGH-IKDJWVMYSA-N 1 2 449.533 0.529 20 0 ICADLO Cc1nc([C@H]2CC[N@@H+](CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)C2)no1 ZINC001560139508 1073281101 /nfs/dbraw/zinc/28/11/01/1073281101.db2.gz COKBXMPGFLIPGH-KRWDZBQOSA-N 1 2 449.533 0.505 20 0 ICADLO Cc1nc([C@H]2CC[N@H+](CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)C2)no1 ZINC001560139508 1073281091 /nfs/dbraw/zinc/28/10/91/1073281091.db2.gz COKBXMPGFLIPGH-KRWDZBQOSA-N 1 2 449.533 0.505 20 0 ICADLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)C2)no1 ZINC001560139509 1073281438 /nfs/dbraw/zinc/28/14/38/1073281438.db2.gz COKBXMPGFLIPGH-QGZVFWFLSA-N 1 2 449.533 0.505 20 0 ICADLO Cc1nc([C@@H]2CC[N@H+](CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)C2)no1 ZINC001560139509 1073281434 /nfs/dbraw/zinc/28/14/34/1073281434.db2.gz COKBXMPGFLIPGH-QGZVFWFLSA-N 1 2 449.533 0.505 20 0 ICADLO CN(CCCNC(=O)C[N@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)S(C)(=O)=O ZINC001560140454 1073281324 /nfs/dbraw/zinc/28/13/24/1073281324.db2.gz QHCIJKXWSXTBGR-IBGZPJMESA-N 1 2 448.586 0.096 20 0 ICADLO CN(CCCNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)S(C)(=O)=O ZINC001560140454 1073281308 /nfs/dbraw/zinc/28/13/08/1073281308.db2.gz QHCIJKXWSXTBGR-IBGZPJMESA-N 1 2 448.586 0.096 20 0 ICADLO CN(CCCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)S(C)(=O)=O ZINC001560140458 1073281050 /nfs/dbraw/zinc/28/10/50/1073281050.db2.gz QHCIJKXWSXTBGR-LJQANCHMSA-N 1 2 448.586 0.096 20 0 ICADLO CN(CCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)S(C)(=O)=O ZINC001560140458 1073281042 /nfs/dbraw/zinc/28/10/42/1073281042.db2.gz QHCIJKXWSXTBGR-LJQANCHMSA-N 1 2 448.586 0.096 20 0 ICADLO CN(CCCNC(=O)C[N@H+]1CCC[C@@H](c2ncc(Br)cn2)C1)S(C)(=O)=O ZINC001560142045 1073281955 /nfs/dbraw/zinc/28/19/55/1073281955.db2.gz JVJLRWNPYZENEE-CYBMUJFWSA-N 1 2 448.387 0.816 20 0 ICADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](c2ncc(Br)cn2)C1)S(C)(=O)=O ZINC001560142045 1073281947 /nfs/dbraw/zinc/28/19/47/1073281947.db2.gz JVJLRWNPYZENEE-CYBMUJFWSA-N 1 2 448.387 0.816 20 0 ICADLO CN(CCCNC(=O)C[N@H+]1CCC[C@H](c2ncc(Br)cn2)C1)S(C)(=O)=O ZINC001560142046 1073282051 /nfs/dbraw/zinc/28/20/51/1073282051.db2.gz JVJLRWNPYZENEE-ZDUSSCGKSA-N 1 2 448.387 0.816 20 0 ICADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@H](c2ncc(Br)cn2)C1)S(C)(=O)=O ZINC001560142046 1073282042 /nfs/dbraw/zinc/28/20/42/1073282042.db2.gz JVJLRWNPYZENEE-ZDUSSCGKSA-N 1 2 448.387 0.816 20 0 ICADLO C[C@H]1Cc2n[nH]cc2C[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001560144398 1073281869 /nfs/dbraw/zinc/28/18/69/1073281869.db2.gz ZHTFKTMGEZMOLK-INIZCTEOSA-N 1 2 447.561 0.741 20 0 ICADLO C[C@H]1Cc2n[nH]cc2C[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001560144398 1073281862 /nfs/dbraw/zinc/28/18/62/1073281862.db2.gz ZHTFKTMGEZMOLK-INIZCTEOSA-N 1 2 447.561 0.741 20 0 ICADLO C[C@@H]1Cc2n[nH]cc2C[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001560144399 1073281975 /nfs/dbraw/zinc/28/19/75/1073281975.db2.gz ZHTFKTMGEZMOLK-MRXNPFEDSA-N 1 2 447.561 0.741 20 0 ICADLO C[C@@H]1Cc2n[nH]cc2C[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001560144399 1073281969 /nfs/dbraw/zinc/28/19/69/1073281969.db2.gz ZHTFKTMGEZMOLK-MRXNPFEDSA-N 1 2 447.561 0.741 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CC1 ZINC001560158170 1073282892 /nfs/dbraw/zinc/28/28/92/1073282892.db2.gz CVDNLCQAUTYZKZ-UHFFFAOYSA-N 1 2 443.592 0.480 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CC1 ZINC001560158170 1073282878 /nfs/dbraw/zinc/28/28/78/1073282878.db2.gz CVDNLCQAUTYZKZ-UHFFFAOYSA-N 1 2 443.592 0.480 20 0 ICADLO CNC(=O)C[N@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 ZINC001560158546 1073283069 /nfs/dbraw/zinc/28/30/69/1073283069.db2.gz OLGZPUJLKPEQBU-INIZCTEOSA-N 1 2 439.582 0.454 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 ZINC001560158546 1073283061 /nfs/dbraw/zinc/28/30/61/1073283061.db2.gz OLGZPUJLKPEQBU-INIZCTEOSA-N 1 2 439.582 0.454 20 0 ICADLO CNC(=O)C[N@H+]1CCCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 ZINC001560158547 1073283594 /nfs/dbraw/zinc/28/35/94/1073283594.db2.gz OLGZPUJLKPEQBU-MRXNPFEDSA-N 1 2 439.582 0.454 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 ZINC001560158547 1073283590 /nfs/dbraw/zinc/28/35/90/1073283590.db2.gz OLGZPUJLKPEQBU-MRXNPFEDSA-N 1 2 439.582 0.454 20 0 ICADLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001560169882 1073284630 /nfs/dbraw/zinc/28/46/30/1073284630.db2.gz ZASQOTGZXGCMFL-KRWDZBQOSA-N 1 2 425.555 0.115 20 0 ICADLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001560169882 1073284624 /nfs/dbraw/zinc/28/46/24/1073284624.db2.gz ZASQOTGZXGCMFL-KRWDZBQOSA-N 1 2 425.555 0.115 20 0 ICADLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001560169883 1073284499 /nfs/dbraw/zinc/28/44/99/1073284499.db2.gz ZASQOTGZXGCMFL-QGZVFWFLSA-N 1 2 425.555 0.115 20 0 ICADLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001560169883 1073284494 /nfs/dbraw/zinc/28/44/94/1073284494.db2.gz ZASQOTGZXGCMFL-QGZVFWFLSA-N 1 2 425.555 0.115 20 0 ICADLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC001560170904 1073285020 /nfs/dbraw/zinc/28/50/20/1073285020.db2.gz RKLNGHYZZYRMDW-KRWDZBQOSA-N 1 2 427.505 0.255 20 0 ICADLO CCC1(CC)CNC(=O)[C@H]1[NH2+]CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC001560170905 1073285255 /nfs/dbraw/zinc/28/52/55/1073285255.db2.gz RKLNGHYZZYRMDW-QGZVFWFLSA-N 1 2 427.505 0.255 20 0 ICADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCO[C@H](CS(C)(=O)=O)C3)CC2)cc1 ZINC001560184306 1073286439 /nfs/dbraw/zinc/28/64/39/1073286439.db2.gz JZGHIKQFGDCOFM-IBGZPJMESA-N 1 2 425.551 0.085 20 0 ICADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCO[C@@H](CS(C)(=O)=O)C3)CC2)cc1 ZINC001560184307 1073286171 /nfs/dbraw/zinc/28/61/71/1073286171.db2.gz JZGHIKQFGDCOFM-LJQANCHMSA-N 1 2 425.551 0.085 20 0 ICADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)CC1 ZINC001560186823 1073286944 /nfs/dbraw/zinc/28/69/44/1073286944.db2.gz XJAYKURKGJNTBD-GFCCVEGCSA-N 1 2 435.472 0.825 20 0 ICADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)CC1 ZINC001560186823 1073286935 /nfs/dbraw/zinc/28/69/35/1073286935.db2.gz XJAYKURKGJNTBD-GFCCVEGCSA-N 1 2 435.472 0.825 20 0 ICADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)CC1 ZINC001560186824 1073286829 /nfs/dbraw/zinc/28/68/29/1073286829.db2.gz XJAYKURKGJNTBD-LBPRGKRZSA-N 1 2 435.472 0.825 20 0 ICADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)CC1 ZINC001560186824 1073286823 /nfs/dbraw/zinc/28/68/23/1073286823.db2.gz XJAYKURKGJNTBD-LBPRGKRZSA-N 1 2 435.472 0.825 20 0 ICADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C4CCC3(C(N)=O)CC4)CC2)cc1 ZINC001560189198 1073287104 /nfs/dbraw/zinc/28/71/04/1073287104.db2.gz GCAMNFAYTMBFOI-UHFFFAOYSA-N 1 2 448.545 0.204 20 0 ICADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C4CCC3(C(N)=O)CC4)CC2)cc1 ZINC001560189198 1073287094 /nfs/dbraw/zinc/28/70/94/1073287094.db2.gz GCAMNFAYTMBFOI-UHFFFAOYSA-N 1 2 448.545 0.204 20 0 ICADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C4CCC3(C(N)=O)CC4)CC2)c1 ZINC001560189199 1073286913 /nfs/dbraw/zinc/28/69/13/1073286913.db2.gz GEHNEPGJZFDGGH-UHFFFAOYSA-N 1 2 448.545 0.204 20 0 ICADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C4CCC3(C(N)=O)CC4)CC2)c1 ZINC001560189199 1073286899 /nfs/dbraw/zinc/28/68/99/1073286899.db2.gz GEHNEPGJZFDGGH-UHFFFAOYSA-N 1 2 448.545 0.204 20 0 ICADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC4(CCNC(=O)O4)CC3)C2=O)cc1 ZINC001560189250 1073287016 /nfs/dbraw/zinc/28/70/16/1073287016.db2.gz HHAPFLHPLSUALH-FQEVSTJZSA-N 1 2 445.476 0.458 20 0 ICADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC4(CCNC(=O)O4)CC3)C2=O)cc1 ZINC001560189251 1073286770 /nfs/dbraw/zinc/28/67/70/1073286770.db2.gz HHAPFLHPLSUALH-HXUWFJFHSA-N 1 2 445.476 0.458 20 0 ICADLO COC(=O)c1cc(NC(=O)C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)cc(C(=O)OC)c1 ZINC001560195487 1073287653 /nfs/dbraw/zinc/28/76/53/1073287653.db2.gz FDAHIDQOXOVPAX-INIZCTEOSA-N 1 2 433.461 0.161 20 0 ICADLO COC(=O)c1cc(NC(=O)C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)cc(C(=O)OC)c1 ZINC001560195489 1073287781 /nfs/dbraw/zinc/28/77/81/1073287781.db2.gz FDAHIDQOXOVPAX-MRXNPFEDSA-N 1 2 433.461 0.161 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN[C@@H]([C@@H]2CCOC2)C(F)(F)F)CC1 ZINC001560199381 1073288127 /nfs/dbraw/zinc/28/81/27/1073288127.db2.gz RONBPUCMMOTNOP-DOMZBBRYSA-N 1 2 427.431 0.569 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN[C@H]([C@@H]2CCOC2)C(F)(F)F)CC1 ZINC001560199382 1073288156 /nfs/dbraw/zinc/28/81/56/1073288156.db2.gz RONBPUCMMOTNOP-IUODEOHRSA-N 1 2 427.431 0.569 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN[C@H]([C@H]2CCOC2)C(F)(F)F)CC1 ZINC001560199383 1073288983 /nfs/dbraw/zinc/28/89/83/1073288983.db2.gz RONBPUCMMOTNOP-SWLSCSKDSA-N 1 2 427.431 0.569 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN[C@@H]([C@H]2CCOC2)C(F)(F)F)CC1 ZINC001560199384 1073288894 /nfs/dbraw/zinc/28/88/94/1073288894.db2.gz RONBPUCMMOTNOP-WFASDCNBSA-N 1 2 427.431 0.569 20 0 ICADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCN4C[C@@H](F)C[C@H]4C3)CC2)cc1 ZINC001560201754 1073289007 /nfs/dbraw/zinc/28/90/07/1073289007.db2.gz WOPPOBCHDOPZQL-FHWLQOOXSA-N 1 2 438.569 0.944 20 0 ICADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCN4C[C@@H](F)C[C@H]4C3)CC2)cc1 ZINC001560201754 1073289005 /nfs/dbraw/zinc/28/90/05/1073289005.db2.gz WOPPOBCHDOPZQL-FHWLQOOXSA-N 1 2 438.569 0.944 20 0 ICADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CCN4C[C@@H](F)C[C@H]4C3)CC2)cc1 ZINC001560201755 1073288693 /nfs/dbraw/zinc/28/86/93/1073288693.db2.gz WOPPOBCHDOPZQL-QYZOEREBSA-N 1 2 438.569 0.944 20 0 ICADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCN4C[C@@H](F)C[C@H]4C3)CC2)cc1 ZINC001560201755 1073288682 /nfs/dbraw/zinc/28/86/82/1073288682.db2.gz WOPPOBCHDOPZQL-QYZOEREBSA-N 1 2 438.569 0.944 20 0 ICADLO Cc1cc(N2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C)C3)CC2)nc(C(C)C)[nH+]1 ZINC001560202430 1073289020 /nfs/dbraw/zinc/28/90/20/1073289020.db2.gz ROEMYXYMZQXVOX-LAUBAEHRSA-N 1 2 435.594 0.924 20 0 ICADLO COC(=O)C1(C2(O)CC[NH+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)CC2)CCC1 ZINC001560206414 1073288866 /nfs/dbraw/zinc/28/88/66/1073288866.db2.gz XGWQREGGUFXHCI-UHFFFAOYSA-N 1 2 437.459 0.636 20 0 ICADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC001560215779 1073290240 /nfs/dbraw/zinc/29/02/40/1073290240.db2.gz PVDMGTLUXZOREK-MUUNZHRXSA-N 1 2 445.611 0.867 20 0 ICADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC001560215780 1073290300 /nfs/dbraw/zinc/29/03/00/1073290300.db2.gz PVDMGTLUXZOREK-NDEPHWFRSA-N 1 2 445.611 0.867 20 0 ICADLO CC(C)(C)OC(=O)N1CC(N2CC[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC2)C1 ZINC001560222232 1073290263 /nfs/dbraw/zinc/29/02/63/1073290263.db2.gz WTSIWWZXTWOHEK-UHFFFAOYSA-N 1 2 445.568 0.362 20 0 ICADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@H+]1CCCCCNC(=O)CC1 ZINC001560222687 1073290666 /nfs/dbraw/zinc/29/06/66/1073290666.db2.gz HSGTVIGLWFUZHC-UHFFFAOYSA-N 1 2 431.580 0.703 20 0 ICADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@@H+]1CCCCCNC(=O)CC1 ZINC001560222687 1073290653 /nfs/dbraw/zinc/29/06/53/1073290653.db2.gz HSGTVIGLWFUZHC-UHFFFAOYSA-N 1 2 431.580 0.703 20 0 ICADLO COC(=O)c1ccc([C@@H]2CCCC[N@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)n1C ZINC001560227303 1073290787 /nfs/dbraw/zinc/29/07/87/1073290787.db2.gz LFVAZKKMIGUYHS-INIZCTEOSA-N 1 2 428.555 0.736 20 0 ICADLO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)n1C ZINC001560227303 1073290779 /nfs/dbraw/zinc/29/07/79/1073290779.db2.gz LFVAZKKMIGUYHS-INIZCTEOSA-N 1 2 428.555 0.736 20 0 ICADLO COC(=O)c1ccc([C@H]2CCCC[N@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)n1C ZINC001560227304 1073290836 /nfs/dbraw/zinc/29/08/36/1073290836.db2.gz LFVAZKKMIGUYHS-MRXNPFEDSA-N 1 2 428.555 0.736 20 0 ICADLO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)n1C ZINC001560227304 1073290832 /nfs/dbraw/zinc/29/08/32/1073290832.db2.gz LFVAZKKMIGUYHS-MRXNPFEDSA-N 1 2 428.555 0.736 20 0 ICADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCN(Cc4ccnn4C)CC3)CC2)cc1 ZINC001560230176 1073290618 /nfs/dbraw/zinc/29/06/18/1073290618.db2.gz QEBAPGLVXZCKRX-UHFFFAOYSA-N 1 2 426.565 0.891 20 0 ICADLO Cn1cc(CN2CC[NH+](CC[S@](C)=O)CC2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001560636858 1073292934 /nfs/dbraw/zinc/29/29/34/1073292934.db2.gz OUHWJEDRGUCYNN-PMERELPUSA-N 1 2 429.546 0.712 20 0 ICADLO Cn1cc(CN2CC[NH+](CC[S@@](C)=O)CC2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001560636859 1073292637 /nfs/dbraw/zinc/29/26/37/1073292637.db2.gz OUHWJEDRGUCYNN-SSEXGKCCSA-N 1 2 429.546 0.712 20 0 ICADLO COC(=O)[C@H](C)Oc1ccccc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001560654635 1073293214 /nfs/dbraw/zinc/29/32/14/1073293214.db2.gz ADSXDMAVSGFAJJ-KRWDZBQOSA-N 1 2 440.566 0.237 20 0 ICADLO COC(=O)[C@@H](C)Oc1ccccc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001560654637 1073293383 /nfs/dbraw/zinc/29/33/83/1073293383.db2.gz ADSXDMAVSGFAJJ-QGZVFWFLSA-N 1 2 440.566 0.237 20 0 ICADLO CO[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)C1CCOCC1 ZINC001560697108 1073293918 /nfs/dbraw/zinc/29/39/18/1073293918.db2.gz NBHNUVMXAGLYSI-IBGZPJMESA-N 1 2 439.534 0.765 20 0 ICADLO CO[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)C1CCOCC1 ZINC001560697109 1073293756 /nfs/dbraw/zinc/29/37/56/1073293756.db2.gz NBHNUVMXAGLYSI-LJQANCHMSA-N 1 2 439.534 0.765 20 0 ICADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC001560714114 1073294428 /nfs/dbraw/zinc/29/44/28/1073294428.db2.gz WRDLSIMUOJASNJ-GFCCVEGCSA-N 1 2 445.383 0.881 20 0 ICADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC001560714115 1073294297 /nfs/dbraw/zinc/29/42/97/1073294297.db2.gz WRDLSIMUOJASNJ-LBPRGKRZSA-N 1 2 445.383 0.881 20 0 ICADLO Cc1ccnc(N)c1C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001560714170 1073294469 /nfs/dbraw/zinc/29/44/69/1073294469.db2.gz YEDCLLBFDAZNJV-UHFFFAOYSA-N 1 2 432.550 0.710 20 0 ICADLO CCc1ncc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)n1S(=O)(=O)N(C)C ZINC001560734668 1073294270 /nfs/dbraw/zinc/29/42/70/1073294270.db2.gz PCTINDMRHQUKSC-UHFFFAOYSA-N 1 2 441.579 0.930 20 0 ICADLO CCc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)n1S(=O)(=O)N(C)C ZINC001560833071 1073295017 /nfs/dbraw/zinc/29/50/17/1073295017.db2.gz BYFXILSEMSKELN-CHWSQXEVSA-N 1 2 437.488 0.943 20 0 ICADLO CCc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)n1S(=O)(=O)N(C)C ZINC001560833071 1073295003 /nfs/dbraw/zinc/29/50/03/1073295003.db2.gz BYFXILSEMSKELN-CHWSQXEVSA-N 1 2 437.488 0.943 20 0 ICADLO CCc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)n1S(=O)(=O)N(C)C ZINC001560833072 1073295642 /nfs/dbraw/zinc/29/56/42/1073295642.db2.gz BYFXILSEMSKELN-OLZOCXBDSA-N 1 2 437.488 0.943 20 0 ICADLO CCc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)n1S(=O)(=O)N(C)C ZINC001560833072 1073295640 /nfs/dbraw/zinc/29/56/40/1073295640.db2.gz BYFXILSEMSKELN-OLZOCXBDSA-N 1 2 437.488 0.943 20 0 ICADLO CCc1ncc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)n1S(=O)(=O)N(C)C ZINC001560833073 1073295710 /nfs/dbraw/zinc/29/57/10/1073295710.db2.gz BYFXILSEMSKELN-QWHCGFSZSA-N 1 2 437.488 0.943 20 0 ICADLO CCc1ncc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)n1S(=O)(=O)N(C)C ZINC001560833073 1073295705 /nfs/dbraw/zinc/29/57/05/1073295705.db2.gz BYFXILSEMSKELN-QWHCGFSZSA-N 1 2 437.488 0.943 20 0 ICADLO CCc1ncc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)n1S(=O)(=O)N(C)C ZINC001560833074 1073295812 /nfs/dbraw/zinc/29/58/12/1073295812.db2.gz BYFXILSEMSKELN-STQMWFEESA-N 1 2 437.488 0.943 20 0 ICADLO CCc1ncc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)n1S(=O)(=O)N(C)C ZINC001560833074 1073295796 /nfs/dbraw/zinc/29/57/96/1073295796.db2.gz BYFXILSEMSKELN-STQMWFEESA-N 1 2 437.488 0.943 20 0 ICADLO Cn1cc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001560848432 1073295652 /nfs/dbraw/zinc/29/56/52/1073295652.db2.gz FYLHFIZKOJPLAA-HNNXBMFYSA-N 1 2 431.518 0.682 20 0 ICADLO Cn1cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001560848432 1073295649 /nfs/dbraw/zinc/29/56/49/1073295649.db2.gz FYLHFIZKOJPLAA-HNNXBMFYSA-N 1 2 431.518 0.682 20 0 ICADLO Cn1cc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001560848433 1073295600 /nfs/dbraw/zinc/29/56/00/1073295600.db2.gz FYLHFIZKOJPLAA-OAHLLOKOSA-N 1 2 431.518 0.682 20 0 ICADLO Cn1cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001560848433 1073295592 /nfs/dbraw/zinc/29/55/92/1073295592.db2.gz FYLHFIZKOJPLAA-OAHLLOKOSA-N 1 2 431.518 0.682 20 0 ICADLO CCc1ncc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)n1S(=O)(=O)N(C)C ZINC001561006576 1073295615 /nfs/dbraw/zinc/29/56/15/1073295615.db2.gz VAUAGJCYRVBIIP-UHFFFAOYSA-N 1 2 435.616 0.830 20 0 ICADLO CCc1ncc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)n1S(=O)(=O)N(C)C ZINC001561042149 1073296358 /nfs/dbraw/zinc/29/63/58/1073296358.db2.gz QFYJNHCXTURXEK-UHFFFAOYSA-N 1 2 429.568 0.786 20 0 ICADLO CC(C)O[C@@]1(CS(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCOC1 ZINC001561086009 1073298808 /nfs/dbraw/zinc/29/88/08/1073298808.db2.gz RMAUPPTZVLQZRG-IBGZPJMESA-N 1 2 427.571 0.492 20 0 ICADLO CC(C)O[C@]1(CS(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCOC1 ZINC001561086010 1073298791 /nfs/dbraw/zinc/29/87/91/1073298791.db2.gz RMAUPPTZVLQZRG-LJQANCHMSA-N 1 2 427.571 0.492 20 0 ICADLO Cn1ncc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1C(F)(F)F ZINC001561086170 1073298860 /nfs/dbraw/zinc/29/88/60/1073298860.db2.gz XXJHCXPEMSCSNO-UHFFFAOYSA-N 1 2 433.460 0.720 20 0 ICADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(OC)ns1 ZINC001561090095 1073299296 /nfs/dbraw/zinc/29/92/96/1073299296.db2.gz HJMPOLOXDGRZPG-CYBMUJFWSA-N 1 2 425.598 0.812 20 0 ICADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(OC)ns1 ZINC001561090096 1073299246 /nfs/dbraw/zinc/29/92/46/1073299246.db2.gz HJMPOLOXDGRZPG-ZDUSSCGKSA-N 1 2 425.598 0.812 20 0 ICADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1C(=O)OC ZINC001561090385 1073299351 /nfs/dbraw/zinc/29/93/51/1073299351.db2.gz RURITAVUIXIXCE-AWEZNQCLSA-N 1 2 433.552 0.388 20 0 ICADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1C(=O)OC ZINC001561090386 1073299260 /nfs/dbraw/zinc/29/92/60/1073299260.db2.gz RURITAVUIXIXCE-CQSZACIVSA-N 1 2 433.552 0.388 20 0 ICADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nc[nH]c1Br ZINC001561090582 1073299731 /nfs/dbraw/zinc/29/97/31/1073299731.db2.gz ZCFKHTHDVFDIGG-LLVKDONJSA-N 1 2 443.389 0.692 20 0 ICADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nc[nH]c1Br ZINC001561090583 1073299794 /nfs/dbraw/zinc/29/97/94/1073299794.db2.gz ZCFKHTHDVFDIGG-NSHDSACASA-N 1 2 443.389 0.692 20 0 ICADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC001561097254 1073300221 /nfs/dbraw/zinc/30/02/21/1073300221.db2.gz AYXRFTQYNWJQAI-GOSISDBHSA-N 1 2 425.551 0.979 20 0 ICADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC001561097254 1073300212 /nfs/dbraw/zinc/30/02/12/1073300212.db2.gz AYXRFTQYNWJQAI-GOSISDBHSA-N 1 2 425.551 0.979 20 0 ICADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC001561097255 1073300070 /nfs/dbraw/zinc/30/00/70/1073300070.db2.gz AYXRFTQYNWJQAI-SFHVURJKSA-N 1 2 425.551 0.979 20 0 ICADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC001561097255 1073300066 /nfs/dbraw/zinc/30/00/66/1073300066.db2.gz AYXRFTQYNWJQAI-SFHVURJKSA-N 1 2 425.551 0.979 20 0 ICADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2cnn(C)c2I)C[C@@H](C)O1 ZINC001561102504 1073300900 /nfs/dbraw/zinc/30/09/00/1073300900.db2.gz QXUOKVBZELDJRX-GHMZBOCLSA-N 1 2 442.323 0.802 20 0 ICADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cnn(C)c2I)C[C@H](C)O1 ZINC001561102511 1073300988 /nfs/dbraw/zinc/30/09/88/1073300988.db2.gz QXUOKVBZELDJRX-PHIMTYICSA-N 1 2 442.323 0.802 20 0 ICADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cnn(C)c2I)C[C@H](C)O1 ZINC001561102511 1073300984 /nfs/dbraw/zinc/30/09/84/1073300984.db2.gz QXUOKVBZELDJRX-PHIMTYICSA-N 1 2 442.323 0.802 20 0 ICADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2cnn(C)c2I)C[C@H](C)O1 ZINC001561102512 1073300955 /nfs/dbraw/zinc/30/09/55/1073300955.db2.gz QXUOKVBZELDJRX-QWRGUYRKSA-N 1 2 442.323 0.802 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC001561104465 1073301957 /nfs/dbraw/zinc/30/19/57/1073301957.db2.gz KNRZZJYRYQUKMM-AAEUAGOBSA-N 1 2 434.444 0.925 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC001561104466 1073301902 /nfs/dbraw/zinc/30/19/02/1073301902.db2.gz KNRZZJYRYQUKMM-DGCLKSJQSA-N 1 2 434.444 0.925 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC001561104467 1073301966 /nfs/dbraw/zinc/30/19/66/1073301966.db2.gz KNRZZJYRYQUKMM-WCQYABFASA-N 1 2 434.444 0.925 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC001561104468 1073301928 /nfs/dbraw/zinc/30/19/28/1073301928.db2.gz KNRZZJYRYQUKMM-YPMHNXCESA-N 1 2 434.444 0.925 20 0 ICADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC1 ZINC001561107596 1073302442 /nfs/dbraw/zinc/30/24/42/1073302442.db2.gz MOYBSAXAMALNIR-UHFFFAOYSA-N 1 2 448.339 0.808 20 0 ICADLO CCOC(=O)c1cc(S(=O)(=O)NC2CC[NH+](CC(=O)NC)CC2)cnc1C(F)F ZINC001561107603 1073302243 /nfs/dbraw/zinc/30/22/43/1073302243.db2.gz MXTHAGLIPVPTSA-UHFFFAOYSA-N 1 2 434.465 0.685 20 0 ICADLO Cc1cccc(Cl)c1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001561117077 1073304157 /nfs/dbraw/zinc/30/41/57/1073304157.db2.gz MBGZGDOYFVYTQJ-UHFFFAOYSA-N 1 2 436.987 0.447 20 0 ICADLO CC1(CS(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC001561130717 1073306562 /nfs/dbraw/zinc/30/65/62/1073306562.db2.gz TVPJDXRPORRHKV-UHFFFAOYSA-N 1 2 446.595 0.270 20 0 ICADLO CC1(C)C[C@H](S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC001561130840 1073306459 /nfs/dbraw/zinc/30/64/59/1073306459.db2.gz XRECUTXZUPYBDU-HNNXBMFYSA-N 1 2 432.568 0.020 20 0 ICADLO CC1(C)C[C@@H](S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC001561130841 1073306614 /nfs/dbraw/zinc/30/66/14/1073306614.db2.gz XRECUTXZUPYBDU-OAHLLOKOSA-N 1 2 432.568 0.020 20 0 ICADLO C[S@](=O)(=NS(=O)(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1F ZINC001561182951 1073310177 /nfs/dbraw/zinc/31/01/77/1073310177.db2.gz ORMQPGQUVHMAMV-KUNJGFBQSA-N 1 2 432.543 0.941 20 0 ICADLO C[S@](=O)(=NS(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1F ZINC001561182951 1073310173 /nfs/dbraw/zinc/31/01/73/1073310173.db2.gz ORMQPGQUVHMAMV-KUNJGFBQSA-N 1 2 432.543 0.941 20 0 ICADLO C[S@@](=O)(=NS(=O)(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1F ZINC001561182952 1073310256 /nfs/dbraw/zinc/31/02/56/1073310256.db2.gz ORMQPGQUVHMAMV-QZXCRCNTSA-N 1 2 432.543 0.941 20 0 ICADLO C[S@@](=O)(=NS(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1F ZINC001561182952 1073310247 /nfs/dbraw/zinc/31/02/47/1073310247.db2.gz ORMQPGQUVHMAMV-QZXCRCNTSA-N 1 2 432.543 0.941 20 0 ICADLO C[S@@](=O)(=NS(=O)(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1F ZINC001561182953 1073310128 /nfs/dbraw/zinc/31/01/28/1073310128.db2.gz ORMQPGQUVHMAMV-RXAIFQJESA-N 1 2 432.543 0.941 20 0 ICADLO C[S@@](=O)(=NS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1F ZINC001561182953 1073310119 /nfs/dbraw/zinc/31/01/19/1073310119.db2.gz ORMQPGQUVHMAMV-RXAIFQJESA-N 1 2 432.543 0.941 20 0 ICADLO C[S@](=O)(=NS(=O)(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1F ZINC001561182954 1073310008 /nfs/dbraw/zinc/31/00/08/1073310008.db2.gz ORMQPGQUVHMAMV-YVORESIASA-N 1 2 432.543 0.941 20 0 ICADLO C[S@](=O)(=NS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1F ZINC001561182954 1073309994 /nfs/dbraw/zinc/30/99/94/1073309994.db2.gz ORMQPGQUVHMAMV-YVORESIASA-N 1 2 432.543 0.941 20 0 ICADLO O=C(CCNS(=O)(=O)c1c[nH]nc1C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC001561187058 1073310536 /nfs/dbraw/zinc/31/05/36/1073310536.db2.gz HMUADIWYVJSCPB-UHFFFAOYSA-N 1 2 432.428 0.841 20 0 ICADLO COc1cc(CS(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)sn1 ZINC001561187332 1073310597 /nfs/dbraw/zinc/31/05/97/1073310597.db2.gz RYZNYNCQHSRUKV-UHFFFAOYSA-N 1 2 425.536 0.705 20 0 ICADLO CNC(=O)c1ccc(CS(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001561187353 1073310648 /nfs/dbraw/zinc/31/06/48/1073310648.db2.gz SZQXTQZQMHZMBH-UHFFFAOYSA-N 1 2 445.545 0.600 20 0 ICADLO COC1(CS(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC001561187444 1073310581 /nfs/dbraw/zinc/31/05/81/1073310581.db2.gz XPZIURPQUQDYNB-UHFFFAOYSA-N 1 2 426.539 0.235 20 0 ICADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(S(=O)(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC001561198182 1073312828 /nfs/dbraw/zinc/31/28/28/1073312828.db2.gz QTAUWFZGPLLJFK-KRWDZBQOSA-N 1 2 430.596 0.478 20 0 ICADLO Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(S(=O)(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC001561198183 1073312770 /nfs/dbraw/zinc/31/27/70/1073312770.db2.gz QTAUWFZGPLLJFK-QGZVFWFLSA-N 1 2 430.596 0.478 20 0 ICADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)C[C@H]3CCN(S(C)(=O)=O)C3)CC2)oc1C ZINC001561223718 1073315082 /nfs/dbraw/zinc/31/50/82/1073315082.db2.gz VZKCSYILTCIOBC-KRWDZBQOSA-N 1 2 448.611 0.704 20 0 ICADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)oc1C ZINC001561223719 1073314912 /nfs/dbraw/zinc/31/49/12/1073314912.db2.gz VZKCSYILTCIOBC-QGZVFWFLSA-N 1 2 448.611 0.704 20 0 ICADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)CC1 ZINC001561224500 1073314926 /nfs/dbraw/zinc/31/49/26/1073314926.db2.gz FKILFMVLIGBYNB-UHFFFAOYSA-N 1 2 434.562 0.817 20 0 ICADLO C[C@H](CNS(=O)(=O)c1cnn(C)c1I)C[NH+]1CCN(C)CC1 ZINC001561252267 1073318897 /nfs/dbraw/zinc/31/88/97/1073318897.db2.gz DBFDPWKVRLZTEF-LLVKDONJSA-N 1 2 441.339 0.187 20 0 ICADLO C[C@@H](CNS(=O)(=O)c1cnn(C)c1I)C[NH+]1CCN(C)CC1 ZINC001561252270 1073318828 /nfs/dbraw/zinc/31/88/28/1073318828.db2.gz DBFDPWKVRLZTEF-NSHDSACASA-N 1 2 441.339 0.187 20 0 ICADLO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC001561289054 1073321367 /nfs/dbraw/zinc/32/13/67/1073321367.db2.gz JFKLNZPJRDVFDD-UHFFFAOYSA-N 1 2 433.596 0.593 20 0 ICADLO O=S(=O)(c1ccc(F)nc1F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001561291021 1073321313 /nfs/dbraw/zinc/32/13/13/1073321313.db2.gz BORODXNFRQEAGY-UHFFFAOYSA-N 1 2 426.449 0.497 20 0 ICADLO O=S(=O)(c1ccc(F)nc1F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001561291021 1073321309 /nfs/dbraw/zinc/32/13/09/1073321309.db2.gz BORODXNFRQEAGY-UHFFFAOYSA-N 1 2 426.449 0.497 20 0 ICADLO CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC001561325900 1073323176 /nfs/dbraw/zinc/32/31/76/1073323176.db2.gz YLAAPBNKWHNVEN-UHFFFAOYSA-N 1 2 445.607 0.736 20 0 ICADLO CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC001561325900 1073323170 /nfs/dbraw/zinc/32/31/70/1073323170.db2.gz YLAAPBNKWHNVEN-UHFFFAOYSA-N 1 2 445.607 0.736 20 0 ICADLO COc1ccc(C(=O)N2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)c(OC)c1OC ZINC001561333439 1073323660 /nfs/dbraw/zinc/32/36/60/1073323660.db2.gz VIHHAOKBXIONRL-UHFFFAOYSA-N 1 2 438.506 0.697 20 0 ICADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001561339358 1073323597 /nfs/dbraw/zinc/32/35/97/1073323597.db2.gz ZISDVPDNGWUUOD-KRWDZBQOSA-N 1 2 435.587 0.995 20 0 ICADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001561339360 1073323927 /nfs/dbraw/zinc/32/39/27/1073323927.db2.gz ZISDVPDNGWUUOD-QGZVFWFLSA-N 1 2 435.587 0.995 20 0 ICADLO O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001561391096 1073327137 /nfs/dbraw/zinc/32/71/37/1073327137.db2.gz APKNGPOKYBMYMJ-INIZCTEOSA-N 1 2 444.513 0.893 20 0 ICADLO O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001561391097 1073327022 /nfs/dbraw/zinc/32/70/22/1073327022.db2.gz APKNGPOKYBMYMJ-MRXNPFEDSA-N 1 2 444.513 0.893 20 0 ICADLO Cn1ncc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1I ZINC001561391656 1073327470 /nfs/dbraw/zinc/32/74/70/1073327470.db2.gz SJKRJOKDFYLFTB-JTQLQIEISA-N 1 2 433.275 0.977 20 0 ICADLO Cn1ncc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1I ZINC001561391657 1073327603 /nfs/dbraw/zinc/32/76/03/1073327603.db2.gz SJKRJOKDFYLFTB-SNVBAGLBSA-N 1 2 433.275 0.977 20 0 ICADLO Cc1nc(N2CCN(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc[nH+]1 ZINC001561457580 1073333094 /nfs/dbraw/zinc/33/30/94/1073333094.db2.gz JQUGEQCPAWNNIB-UHFFFAOYSA-N 1 2 426.543 0.705 20 0 ICADLO Cc1nc(N2CCN(S(=O)(=O)c3cnn(C)c3I)CC2)cc[nH+]1 ZINC001561457908 1073333201 /nfs/dbraw/zinc/33/32/01/1073333201.db2.gz WVNSOVKWVOXQGB-UHFFFAOYSA-N 1 2 448.290 0.634 20 0 ICADLO C[NH+]1CCN(CCNS(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)CC1 ZINC001561474109 1073334457 /nfs/dbraw/zinc/33/44/57/1073334457.db2.gz SVFXJKNRYISCGH-HSZRJFAPSA-N 1 2 439.401 0.988 20 0 ICADLO C[NH+]1CCN(CCNS(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)CC1 ZINC001561474110 1073334408 /nfs/dbraw/zinc/33/44/08/1073334408.db2.gz SVFXJKNRYISCGH-QHCPKHFHSA-N 1 2 439.401 0.988 20 0 ICADLO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 ZINC001561474834 1073334271 /nfs/dbraw/zinc/33/42/71/1073334271.db2.gz RCUBEGOMKLPPET-LLVKDONJSA-N 1 2 434.316 0.499 20 0 ICADLO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 ZINC001561474834 1073334262 /nfs/dbraw/zinc/33/42/62/1073334262.db2.gz RCUBEGOMKLPPET-LLVKDONJSA-N 1 2 434.316 0.499 20 0 ICADLO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 ZINC001561474835 1073334507 /nfs/dbraw/zinc/33/45/07/1073334507.db2.gz RCUBEGOMKLPPET-NSHDSACASA-N 1 2 434.316 0.499 20 0 ICADLO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 ZINC001561474835 1073334499 /nfs/dbraw/zinc/33/44/99/1073334499.db2.gz RCUBEGOMKLPPET-NSHDSACASA-N 1 2 434.316 0.499 20 0 ICADLO C[C@H]1CN(S(=O)(=O)c2cnn(C)c2I)CC[N@H+]1CC(C)(C)O ZINC001561476029 1073334338 /nfs/dbraw/zinc/33/43/38/1073334338.db2.gz HVWWDIOVORBZNI-JTQLQIEISA-N 1 2 442.323 0.490 20 0 ICADLO C[C@H]1CN(S(=O)(=O)c2cnn(C)c2I)CC[N@@H+]1CC(C)(C)O ZINC001561476029 1073334330 /nfs/dbraw/zinc/33/43/30/1073334330.db2.gz HVWWDIOVORBZNI-JTQLQIEISA-N 1 2 442.323 0.490 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2I)CC[N@H+]1CC(C)(C)O ZINC001561476030 1073334302 /nfs/dbraw/zinc/33/43/02/1073334302.db2.gz HVWWDIOVORBZNI-SNVBAGLBSA-N 1 2 442.323 0.490 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2I)CC[N@@H+]1CC(C)(C)O ZINC001561476030 1073334298 /nfs/dbraw/zinc/33/42/98/1073334298.db2.gz HVWWDIOVORBZNI-SNVBAGLBSA-N 1 2 442.323 0.490 20 0 ICADLO COC(=O)CC1(NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CCS(=O)(=O)CC1 ZINC001561488194 1073335175 /nfs/dbraw/zinc/33/51/75/1073335175.db2.gz ARYQYCQMALZGAU-UHFFFAOYSA-N 1 2 430.548 0.463 20 0 ICADLO COC(=O)CC1(NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CCS(=O)(=O)CC1 ZINC001561488194 1073335165 /nfs/dbraw/zinc/33/51/65/1073335165.db2.gz ARYQYCQMALZGAU-UHFFFAOYSA-N 1 2 430.548 0.463 20 0 ICADLO C[NH+](C)C1(CS(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CC1 ZINC001561564476 1073342513 /nfs/dbraw/zinc/34/25/13/1073342513.db2.gz PRISYMJMZTXNGG-KGLIPLIRSA-N 1 2 427.489 0.958 20 0 ICADLO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1 ZINC001561573984 1073344367 /nfs/dbraw/zinc/34/43/67/1073344367.db2.gz UVROCLKQCSJNTM-IYBDPMFKSA-N 1 2 434.580 0.576 20 0 ICADLO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC001561573984 1073344361 /nfs/dbraw/zinc/34/43/61/1073344361.db2.gz UVROCLKQCSJNTM-IYBDPMFKSA-N 1 2 434.580 0.576 20 0 ICADLO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001561579429 1073345754 /nfs/dbraw/zinc/34/57/54/1073345754.db2.gz YDLVMIIVCGWXSI-AWEZNQCLSA-N 1 2 435.568 0.582 20 0 ICADLO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001561579429 1073345745 /nfs/dbraw/zinc/34/57/45/1073345745.db2.gz YDLVMIIVCGWXSI-AWEZNQCLSA-N 1 2 435.568 0.582 20 0 ICADLO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001561579430 1073345675 /nfs/dbraw/zinc/34/56/75/1073345675.db2.gz YDLVMIIVCGWXSI-CQSZACIVSA-N 1 2 435.568 0.582 20 0 ICADLO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001561579430 1073345668 /nfs/dbraw/zinc/34/56/68/1073345668.db2.gz YDLVMIIVCGWXSI-CQSZACIVSA-N 1 2 435.568 0.582 20 0 ICADLO COC(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c(Br)c1 ZINC001561661564 1073354473 /nfs/dbraw/zinc/35/44/73/1073354473.db2.gz IGKWVPGUHNXOQK-GFCCVEGCSA-N 1 2 449.323 0.961 20 0 ICADLO COC(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c(Br)c1 ZINC001561661564 1073354463 /nfs/dbraw/zinc/35/44/63/1073354463.db2.gz IGKWVPGUHNXOQK-GFCCVEGCSA-N 1 2 449.323 0.961 20 0 ICADLO COC(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c(Br)c1 ZINC001561661565 1073354364 /nfs/dbraw/zinc/35/43/64/1073354364.db2.gz IGKWVPGUHNXOQK-LBPRGKRZSA-N 1 2 449.323 0.961 20 0 ICADLO COC(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c(Br)c1 ZINC001561661565 1073354357 /nfs/dbraw/zinc/35/43/57/1073354357.db2.gz IGKWVPGUHNXOQK-LBPRGKRZSA-N 1 2 449.323 0.961 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)[C@@H](C)C[N@H+]1CCO ZINC001561671062 1073356134 /nfs/dbraw/zinc/35/61/34/1073356134.db2.gz YYXAEMBOYMQFSP-NEPJUHHUSA-N 1 2 426.461 0.393 20 0 ICADLO C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)[C@@H](C)C[N@@H+]1CCO ZINC001561671062 1073356125 /nfs/dbraw/zinc/35/61/25/1073356125.db2.gz YYXAEMBOYMQFSP-NEPJUHHUSA-N 1 2 426.461 0.393 20 0 ICADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC001561671063 1073355880 /nfs/dbraw/zinc/35/58/80/1073355880.db2.gz YYXAEMBOYMQFSP-NWDGAFQWSA-N 1 2 426.461 0.393 20 0 ICADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC001561671063 1073355869 /nfs/dbraw/zinc/35/58/69/1073355869.db2.gz YYXAEMBOYMQFSP-NWDGAFQWSA-N 1 2 426.461 0.393 20 0 ICADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC001561671064 1073355956 /nfs/dbraw/zinc/35/59/56/1073355956.db2.gz YYXAEMBOYMQFSP-RYUDHWBXSA-N 1 2 426.461 0.393 20 0 ICADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC001561671064 1073355945 /nfs/dbraw/zinc/35/59/45/1073355945.db2.gz YYXAEMBOYMQFSP-RYUDHWBXSA-N 1 2 426.461 0.393 20 0 ICADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC001561671065 1073356071 /nfs/dbraw/zinc/35/60/71/1073356071.db2.gz YYXAEMBOYMQFSP-VXGBXAGGSA-N 1 2 426.461 0.393 20 0 ICADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC001561671065 1073356062 /nfs/dbraw/zinc/35/60/62/1073356062.db2.gz YYXAEMBOYMQFSP-VXGBXAGGSA-N 1 2 426.461 0.393 20 0 ICADLO CC(=O)N1CCc2sc(S(=O)(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)cc2C1 ZINC001561693630 1073358865 /nfs/dbraw/zinc/35/88/65/1073358865.db2.gz AZNVPYDIHYSKCY-INIZCTEOSA-N 1 2 440.591 0.626 20 0 ICADLO CC(=O)N1CCc2sc(S(=O)(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)cc2C1 ZINC001561693631 1073358596 /nfs/dbraw/zinc/35/85/96/1073358596.db2.gz AZNVPYDIHYSKCY-MRXNPFEDSA-N 1 2 440.591 0.626 20 0 ICADLO CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001561693866 1073358715 /nfs/dbraw/zinc/35/87/15/1073358715.db2.gz GVAXPXBAPQVQHS-MOPGFXCFSA-N 1 2 427.542 0.998 20 0 ICADLO CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001561693867 1073358905 /nfs/dbraw/zinc/35/89/05/1073358905.db2.gz GVAXPXBAPQVQHS-OALUTQOASA-N 1 2 427.542 0.998 20 0 ICADLO CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001561693868 1073358686 /nfs/dbraw/zinc/35/86/86/1073358686.db2.gz GVAXPXBAPQVQHS-RBUKOAKNSA-N 1 2 427.542 0.998 20 0 ICADLO CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001561693869 1073358810 /nfs/dbraw/zinc/35/88/10/1073358810.db2.gz GVAXPXBAPQVQHS-RTBURBONSA-N 1 2 427.542 0.998 20 0 ICADLO CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)[C@@H]3CCCN(C(=O)C4CCCC4)C3)CC2)C1=O ZINC001561693904 1073358890 /nfs/dbraw/zinc/35/88/90/1073358890.db2.gz HXUUWYYGXMCSCO-MOPGFXCFSA-N 1 2 440.610 0.782 20 0 ICADLO CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)CC2)C1=O ZINC001561693905 1073358778 /nfs/dbraw/zinc/35/87/78/1073358778.db2.gz HXUUWYYGXMCSCO-OALUTQOASA-N 1 2 440.610 0.782 20 0 ICADLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)CC2)C1=O ZINC001561693906 1073358614 /nfs/dbraw/zinc/35/86/14/1073358614.db2.gz HXUUWYYGXMCSCO-RBUKOAKNSA-N 1 2 440.610 0.782 20 0 ICADLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)[C@@H]3CCCN(C(=O)C4CCCC4)C3)CC2)C1=O ZINC001561693907 1073359328 /nfs/dbraw/zinc/35/93/28/1073359328.db2.gz HXUUWYYGXMCSCO-RTBURBONSA-N 1 2 440.610 0.782 20 0 ICADLO COC(=O)c1cc(F)cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1F ZINC001561694018 1073359103 /nfs/dbraw/zinc/35/91/03/1073359103.db2.gz JPBZDZSOGQFPRD-AWEZNQCLSA-N 1 2 431.461 0.725 20 0 ICADLO COC(=O)c1cc(F)cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1F ZINC001561694019 1073359371 /nfs/dbraw/zinc/35/93/71/1073359371.db2.gz JPBZDZSOGQFPRD-CQSZACIVSA-N 1 2 431.461 0.725 20 0 ICADLO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 ZINC001561694041 1073359508 /nfs/dbraw/zinc/35/95/08/1073359508.db2.gz JZSVMVIHKBFARN-GFCCVEGCSA-N 1 2 448.343 0.890 20 0 ICADLO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 ZINC001561694041 1073359487 /nfs/dbraw/zinc/35/94/87/1073359487.db2.gz JZSVMVIHKBFARN-GFCCVEGCSA-N 1 2 448.343 0.890 20 0 ICADLO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 ZINC001561694043 1073359188 /nfs/dbraw/zinc/35/91/88/1073359188.db2.gz JZSVMVIHKBFARN-LBPRGKRZSA-N 1 2 448.343 0.890 20 0 ICADLO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 ZINC001561694043 1073359179 /nfs/dbraw/zinc/35/91/79/1073359179.db2.gz JZSVMVIHKBFARN-LBPRGKRZSA-N 1 2 448.343 0.890 20 0 ICADLO CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)c3ccc(OCC(F)(F)F)nc3)CC2)C1=O ZINC001561694324 1073359243 /nfs/dbraw/zinc/35/92/43/1073359243.db2.gz ORIRXJZHDVSWTC-AWEZNQCLSA-N 1 2 436.456 0.996 20 0 ICADLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)c3ccc(OCC(F)(F)F)nc3)CC2)C1=O ZINC001561694326 1073359425 /nfs/dbraw/zinc/35/94/25/1073359425.db2.gz ORIRXJZHDVSWTC-CQSZACIVSA-N 1 2 436.456 0.996 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1 ZINC001561703334 1073361289 /nfs/dbraw/zinc/36/12/89/1073361289.db2.gz AXESYCUFQIWZEK-UHFFFAOYSA-N 1 2 441.550 0.850 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC001561703548 1073361319 /nfs/dbraw/zinc/36/13/19/1073361319.db2.gz LLKWPWBKGSQYPL-UHFFFAOYSA-N 1 2 428.599 0.640 20 0 ICADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc(I)s1 ZINC001561763554 1073370950 /nfs/dbraw/zinc/37/09/50/1073370950.db2.gz OOWJISONLQGZDN-VIFPVBQESA-N 1 2 443.332 0.971 20 0 ICADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc(I)s1 ZINC001561763554 1073370941 /nfs/dbraw/zinc/37/09/41/1073370941.db2.gz OOWJISONLQGZDN-VIFPVBQESA-N 1 2 443.332 0.971 20 0 ICADLO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)C1 ZINC001561791059 1073374092 /nfs/dbraw/zinc/37/40/92/1073374092.db2.gz GNVSGBXJQJLNBL-GOSISDBHSA-N 1 2 444.557 0.903 20 0 ICADLO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)C1 ZINC001561791059 1073374081 /nfs/dbraw/zinc/37/40/81/1073374081.db2.gz GNVSGBXJQJLNBL-GOSISDBHSA-N 1 2 444.557 0.903 20 0 ICADLO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)C1 ZINC001561791060 1073373905 /nfs/dbraw/zinc/37/39/05/1073373905.db2.gz GNVSGBXJQJLNBL-SFHVURJKSA-N 1 2 444.557 0.903 20 0 ICADLO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)C1 ZINC001561791060 1073373898 /nfs/dbraw/zinc/37/38/98/1073373898.db2.gz GNVSGBXJQJLNBL-SFHVURJKSA-N 1 2 444.557 0.903 20 0 ICADLO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001561802814 1073375997 /nfs/dbraw/zinc/37/59/97/1073375997.db2.gz MTBIQMVHDNOKCV-UHFFFAOYSA-N 1 2 446.591 0.985 20 0 ICADLO COc1cc2c(cc1S(=O)(=O)N1CCC(C)([NH+]3CCOCC3)CC1)OCC(=O)N2 ZINC001561816233 1073378477 /nfs/dbraw/zinc/37/84/77/1073378477.db2.gz PKSMCXSKYXHXKD-UHFFFAOYSA-N 1 2 425.507 0.902 20 0 ICADLO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001561868932 1073389670 /nfs/dbraw/zinc/38/96/70/1073389670.db2.gz VOVBQUOUBBSOTC-AWEZNQCLSA-N 1 2 446.957 0.597 20 0 ICADLO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001561868932 1073389663 /nfs/dbraw/zinc/38/96/63/1073389663.db2.gz VOVBQUOUBBSOTC-AWEZNQCLSA-N 1 2 446.957 0.597 20 0 ICADLO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001561868933 1073389463 /nfs/dbraw/zinc/38/94/63/1073389463.db2.gz VOVBQUOUBBSOTC-CQSZACIVSA-N 1 2 446.957 0.597 20 0 ICADLO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001561868933 1073389452 /nfs/dbraw/zinc/38/94/52/1073389452.db2.gz VOVBQUOUBBSOTC-CQSZACIVSA-N 1 2 446.957 0.597 20 0 ICADLO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001561899236 1073394644 /nfs/dbraw/zinc/39/46/44/1073394644.db2.gz ZWZZIIATUBQPRI-UHFFFAOYSA-N 1 2 438.575 0.550 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC001561925362 1073399214 /nfs/dbraw/zinc/39/92/14/1073399214.db2.gz CYYNFHHDHRZRBD-ZDUSSCGKSA-N 1 2 433.412 0.337 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC001561925362 1073399203 /nfs/dbraw/zinc/39/92/03/1073399203.db2.gz CYYNFHHDHRZRBD-ZDUSSCGKSA-N 1 2 433.412 0.337 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC001561925525 1073399449 /nfs/dbraw/zinc/39/94/49/1073399449.db2.gz JEOVBXXOCWZRQW-ZDUSSCGKSA-N 1 2 433.412 0.337 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC001561925525 1073399433 /nfs/dbraw/zinc/39/94/33/1073399433.db2.gz JEOVBXXOCWZRQW-ZDUSSCGKSA-N 1 2 433.412 0.337 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 ZINC001561925568 1073399596 /nfs/dbraw/zinc/39/95/96/1073399596.db2.gz LGEZOXIKVFBICN-ZDUSSCGKSA-N 1 2 434.396 0.851 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 ZINC001561925568 1073399583 /nfs/dbraw/zinc/39/95/83/1073399583.db2.gz LGEZOXIKVFBICN-ZDUSSCGKSA-N 1 2 434.396 0.851 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC001561925744 1073399739 /nfs/dbraw/zinc/39/97/39/1073399739.db2.gz RYXAUOYTNXEIJL-NSHDSACASA-N 1 2 447.311 0.825 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC001561925744 1073399725 /nfs/dbraw/zinc/39/97/25/1073399725.db2.gz RYXAUOYTNXEIJL-NSHDSACASA-N 1 2 447.311 0.825 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC001561925761 1073399659 /nfs/dbraw/zinc/39/96/59/1073399659.db2.gz SIEPYSOLHXFBHL-ZDUSSCGKSA-N 1 2 445.295 0.594 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC001561925761 1073399645 /nfs/dbraw/zinc/39/96/45/1073399645.db2.gz SIEPYSOLHXFBHL-ZDUSSCGKSA-N 1 2 445.295 0.594 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(C)c(I)c1 ZINC001561925789 1073400385 /nfs/dbraw/zinc/40/03/85/1073400385.db2.gz UFJHPPDUNWALOW-ZDUSSCGKSA-N 1 2 448.286 0.958 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(C)c(I)c1 ZINC001561925789 1073400381 /nfs/dbraw/zinc/40/03/81/1073400381.db2.gz UFJHPPDUNWALOW-ZDUSSCGKSA-N 1 2 448.286 0.958 20 0 ICADLO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001561926421 1073400296 /nfs/dbraw/zinc/40/02/96/1073400296.db2.gz RVTCYEAXHCDRDZ-INIZCTEOSA-N 1 2 449.533 0.168 20 0 ICADLO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001561926422 1073400232 /nfs/dbraw/zinc/40/02/32/1073400232.db2.gz RVTCYEAXHCDRDZ-MRXNPFEDSA-N 1 2 449.533 0.168 20 0 ICADLO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)Cc2noc(C3CC3)n2)CC1 ZINC001561926743 1073400925 /nfs/dbraw/zinc/40/09/25/1073400925.db2.gz CKNIZWCAUKCDNH-KRWDZBQOSA-N 1 2 433.534 0.752 20 0 ICADLO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2noc(C3CC3)n2)CC1 ZINC001561926744 1073400811 /nfs/dbraw/zinc/40/08/11/1073400811.db2.gz CKNIZWCAUKCDNH-QGZVFWFLSA-N 1 2 433.534 0.752 20 0 ICADLO COCC[NH+](CCOC)C1CN(S(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC001561947012 1073406329 /nfs/dbraw/zinc/40/63/29/1073406329.db2.gz HODIUHGBUDKZMR-UHFFFAOYSA-N 1 2 448.343 0.460 20 0 ICADLO COCC[NH+](CCOC)C1CN(S(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC001561947050 1073406368 /nfs/dbraw/zinc/40/63/68/1073406368.db2.gz IFXIFRYMWGJXKP-UHFFFAOYSA-N 1 2 435.587 0.564 20 0 ICADLO COCC[NH+](CCOC)C1CN(S(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)C1 ZINC001561947225 1073406239 /nfs/dbraw/zinc/40/62/39/1073406239.db2.gz ONPSKQYTRRPKLY-UHFFFAOYSA-N 1 2 439.578 0.601 20 0 ICADLO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)c(F)c1 ZINC001561960915 1073410711 /nfs/dbraw/zinc/41/07/11/1073410711.db2.gz VKZRSIALCAXJET-UHFFFAOYSA-N 1 2 436.575 0.845 20 0 ICADLO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)c(F)c1 ZINC001561960915 1073410703 /nfs/dbraw/zinc/41/07/03/1073410703.db2.gz VKZRSIALCAXJET-UHFFFAOYSA-N 1 2 436.575 0.845 20 0 ICADLO CON(C)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001562067428 1073434949 /nfs/dbraw/zinc/43/49/49/1073434949.db2.gz NXYSWFWKSSNHEP-IBGZPJMESA-N 1 2 442.538 0.606 20 0 ICADLO CON(C)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001562067428 1073434944 /nfs/dbraw/zinc/43/49/44/1073434944.db2.gz NXYSWFWKSSNHEP-IBGZPJMESA-N 1 2 442.538 0.606 20 0 ICADLO CON(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001562067429 1073435080 /nfs/dbraw/zinc/43/50/80/1073435080.db2.gz NXYSWFWKSSNHEP-LJQANCHMSA-N 1 2 442.538 0.606 20 0 ICADLO CON(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001562067429 1073435076 /nfs/dbraw/zinc/43/50/76/1073435076.db2.gz NXYSWFWKSSNHEP-LJQANCHMSA-N 1 2 442.538 0.606 20 0 ICADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC001562078781 1073436393 /nfs/dbraw/zinc/43/63/93/1073436393.db2.gz BPZFUGFWPLVWCQ-UHFFFAOYSA-N 1 2 435.550 0.716 20 0 ICADLO Cc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC001562113652 1073439978 /nfs/dbraw/zinc/43/99/78/1073439978.db2.gz MKJUMLHUVRFGOC-HNNXBMFYSA-N 1 2 447.583 0.182 20 0 ICADLO Cc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC001562113653 1073440043 /nfs/dbraw/zinc/44/00/43/1073440043.db2.gz MKJUMLHUVRFGOC-OAHLLOKOSA-N 1 2 447.583 0.182 20 0 ICADLO COC(=O)c1cc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc(C(=O)OC)c1 ZINC001562224200 1073443484 /nfs/dbraw/zinc/44/34/84/1073443484.db2.gz AYGRLSADMVELAS-NRFANRHFSA-N 1 2 435.477 0.997 20 0 ICADLO COC(=O)c1cc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc(C(=O)OC)c1 ZINC001562224200 1073443475 /nfs/dbraw/zinc/44/34/75/1073443475.db2.gz AYGRLSADMVELAS-NRFANRHFSA-N 1 2 435.477 0.997 20 0 ICADLO COC(=O)c1cc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc(C(=O)OC)c1 ZINC001562224204 1073443430 /nfs/dbraw/zinc/44/34/30/1073443430.db2.gz AYGRLSADMVELAS-OAQYLSRUSA-N 1 2 435.477 0.997 20 0 ICADLO COC(=O)c1cc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc(C(=O)OC)c1 ZINC001562224204 1073443425 /nfs/dbraw/zinc/44/34/25/1073443425.db2.gz AYGRLSADMVELAS-OAQYLSRUSA-N 1 2 435.477 0.997 20 0 ICADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001562224961 1073444209 /nfs/dbraw/zinc/44/42/09/1073444209.db2.gz OBIATWHIWXGOSJ-IYBDPMFKSA-N 1 2 442.513 0.831 20 0 ICADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001562224961 1073444201 /nfs/dbraw/zinc/44/42/01/1073444201.db2.gz OBIATWHIWXGOSJ-IYBDPMFKSA-N 1 2 442.513 0.831 20 0 ICADLO CNS(=O)(=O)c1cccc2c1CCN(C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC001562422568 1073454518 /nfs/dbraw/zinc/45/45/18/1073454518.db2.gz BWYNHGTZQMTMSE-UHFFFAOYSA-N 1 2 448.549 0.714 20 0 ICADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC001562423167 1073454584 /nfs/dbraw/zinc/45/45/84/1073454584.db2.gz YMYVXQLIFNHHHD-QZTJIDSGSA-N 1 2 440.570 0.730 20 0 ICADLO CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001562423337 1073454349 /nfs/dbraw/zinc/45/43/49/1073454349.db2.gz DVVPACFJCWRRKT-UHFFFAOYSA-N 1 2 438.529 0.709 20 0 ICADLO NS(=O)(=O)c1cc(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ccc1F ZINC001562423367 1073454469 /nfs/dbraw/zinc/45/44/69/1073454469.db2.gz GAPUMTVFLWUUJJ-UHFFFAOYSA-N 1 2 426.474 0.324 20 0 ICADLO CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC001562504858 1073459108 /nfs/dbraw/zinc/45/91/08/1073459108.db2.gz PNUNXMGBCORUGZ-INIZCTEOSA-N 1 2 444.492 0.118 20 0 ICADLO CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC001562504859 1073459048 /nfs/dbraw/zinc/45/90/48/1073459048.db2.gz PNUNXMGBCORUGZ-MRXNPFEDSA-N 1 2 444.492 0.118 20 0 ICADLO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NCCc2cn(C)c[nH+]2)c1 ZINC001562523223 1073460573 /nfs/dbraw/zinc/46/05/73/1073460573.db2.gz CRSCETJMXQHIQZ-UHFFFAOYSA-N 1 2 436.538 0.871 20 0 ICADLO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC001562523738 1073460562 /nfs/dbraw/zinc/46/05/62/1073460562.db2.gz WEOUAIVPEDZYGB-AWEZNQCLSA-N 1 2 434.522 0.716 20 0 ICADLO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC001562523739 1073460524 /nfs/dbraw/zinc/46/05/24/1073460524.db2.gz WEOUAIVPEDZYGB-CQSZACIVSA-N 1 2 434.522 0.716 20 0 ICADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001562561659 1073461328 /nfs/dbraw/zinc/46/13/28/1073461328.db2.gz FQUMKGNDTWMCAQ-CVEARBPZSA-N 1 2 429.543 0.016 20 0 ICADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001562561660 1073461213 /nfs/dbraw/zinc/46/12/13/1073461213.db2.gz FQUMKGNDTWMCAQ-HOTGVXAUSA-N 1 2 429.543 0.016 20 0 ICADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001562561661 1073461316 /nfs/dbraw/zinc/46/13/16/1073461316.db2.gz FQUMKGNDTWMCAQ-HZPDHXFCSA-N 1 2 429.543 0.016 20 0 ICADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001562561662 1073461268 /nfs/dbraw/zinc/46/12/68/1073461268.db2.gz FQUMKGNDTWMCAQ-JKSUJKDBSA-N 1 2 429.543 0.016 20 0 ICADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 ZINC001562638552 1073465478 /nfs/dbraw/zinc/46/54/78/1073465478.db2.gz URBZZYVAEVSHSN-UHFFFAOYSA-N 1 2 449.537 0.761 20 0 ICADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001562683236 1073467283 /nfs/dbraw/zinc/46/72/83/1073467283.db2.gz BBECHGQTPJCDQI-CABCVRRESA-N 1 2 427.527 0.333 20 0 ICADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001562683236 1073467280 /nfs/dbraw/zinc/46/72/80/1073467280.db2.gz BBECHGQTPJCDQI-CABCVRRESA-N 1 2 427.527 0.333 20 0 ICADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)[C@@H](C)CO1 ZINC001562683237 1073467430 /nfs/dbraw/zinc/46/74/30/1073467430.db2.gz BBECHGQTPJCDQI-GJZGRUSLSA-N 1 2 427.527 0.333 20 0 ICADLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)[C@@H](C)CO1 ZINC001562683237 1073467427 /nfs/dbraw/zinc/46/74/27/1073467427.db2.gz BBECHGQTPJCDQI-GJZGRUSLSA-N 1 2 427.527 0.333 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)[C@H](C)CO1 ZINC001562683238 1073467345 /nfs/dbraw/zinc/46/73/45/1073467345.db2.gz BBECHGQTPJCDQI-HUUCEWRRSA-N 1 2 427.527 0.333 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)[C@H](C)CO1 ZINC001562683238 1073467342 /nfs/dbraw/zinc/46/73/42/1073467342.db2.gz BBECHGQTPJCDQI-HUUCEWRRSA-N 1 2 427.527 0.333 20 0 ICADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)[C@@H](C)CO1 ZINC001562683239 1073467447 /nfs/dbraw/zinc/46/74/47/1073467447.db2.gz BBECHGQTPJCDQI-LSDHHAIUSA-N 1 2 427.527 0.333 20 0 ICADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)[C@@H](C)CO1 ZINC001562683239 1073467444 /nfs/dbraw/zinc/46/74/44/1073467444.db2.gz BBECHGQTPJCDQI-LSDHHAIUSA-N 1 2 427.527 0.333 20 0 ICADLO O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001562683517 1073467419 /nfs/dbraw/zinc/46/74/19/1073467419.db2.gz KSEMZRCDTXLHOV-HNNXBMFYSA-N 1 2 425.511 0.041 20 0 ICADLO O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001562683518 1073467326 /nfs/dbraw/zinc/46/73/26/1073467326.db2.gz KSEMZRCDTXLHOV-OAHLLOKOSA-N 1 2 425.511 0.041 20 0 ICADLO CCOC1CC(CNC(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)([NH+]2CCOCC2)C1 ZINC001562762175 1073471056 /nfs/dbraw/zinc/47/10/56/1073471056.db2.gz CXNPNYSOPLQALN-UHFFFAOYSA-N 1 2 447.536 0.635 20 0 ICADLO COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001562774515 1073472615 /nfs/dbraw/zinc/47/26/15/1073472615.db2.gz TVIWVVXSNLIKBM-CVEARBPZSA-N 1 2 436.509 0.837 20 0 ICADLO COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001562774516 1073472526 /nfs/dbraw/zinc/47/25/26/1073472526.db2.gz TVIWVVXSNLIKBM-HOTGVXAUSA-N 1 2 436.509 0.837 20 0 ICADLO COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001562774517 1073472682 /nfs/dbraw/zinc/47/26/82/1073472682.db2.gz TVIWVVXSNLIKBM-HZPDHXFCSA-N 1 2 436.509 0.837 20 0 ICADLO COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001562774518 1073472585 /nfs/dbraw/zinc/47/25/85/1073472585.db2.gz TVIWVVXSNLIKBM-JKSUJKDBSA-N 1 2 436.509 0.837 20 0 ICADLO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCc2n[nH]c(CO)n2)CC1 ZINC001562813443 1072461992 /nfs/dbraw/zinc/46/19/92/1072461992.db2.gz RJBOFSIDJVWOEW-UHFFFAOYSA-N 1 2 425.291 0.528 20 0 ICADLO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCc2nc(CO)n[nH]2)CC1 ZINC001562813443 1072461990 /nfs/dbraw/zinc/46/19/90/1072461990.db2.gz RJBOFSIDJVWOEW-UHFFFAOYSA-N 1 2 425.291 0.528 20 0 ICADLO COc1ccc(CNS(C)(=O)=O)cc1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001562823528 1072463012 /nfs/dbraw/zinc/46/30/12/1072463012.db2.gz WQBHZXBXVNUWIQ-UHFFFAOYSA-N 1 2 448.549 0.927 20 0 ICADLO O=C(CCNC(=O)Nc1n[nH]nc1C(=O)N1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001562920580 1072464539 /nfs/dbraw/zinc/46/45/39/1072464539.db2.gz GTMODMJFFKQHDY-UHFFFAOYSA-N 1 2 441.496 0.296 20 0 ICADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001562935589 1072465109 /nfs/dbraw/zinc/46/51/09/1072465109.db2.gz UTLHXXPVKFPHPE-INIZCTEOSA-N 1 2 432.593 0.943 20 0 ICADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001562935590 1072465099 /nfs/dbraw/zinc/46/50/99/1072465099.db2.gz UTLHXXPVKFPHPE-MRXNPFEDSA-N 1 2 432.593 0.943 20 0 ICADLO CCn1[nH]c(C)nc1=NC(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001562979867 1072467182 /nfs/dbraw/zinc/46/71/82/1072467182.db2.gz JPMZQHIPBVLVBL-UHFFFAOYSA-N 1 2 443.552 0.935 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 ZINC001563055117 1072517226 /nfs/dbraw/zinc/51/72/26/1072517226.db2.gz DKZAJPTXCKROFS-FQEVSTJZSA-N 1 2 441.550 0.847 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 ZINC001563055117 1072517217 /nfs/dbraw/zinc/51/72/17/1072517217.db2.gz DKZAJPTXCKROFS-FQEVSTJZSA-N 1 2 441.550 0.847 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 ZINC001563055121 1072517112 /nfs/dbraw/zinc/51/71/12/1072517112.db2.gz DKZAJPTXCKROFS-HXUWFJFHSA-N 1 2 441.550 0.847 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 ZINC001563055121 1072517103 /nfs/dbraw/zinc/51/71/03/1072517103.db2.gz DKZAJPTXCKROFS-HXUWFJFHSA-N 1 2 441.550 0.847 20 0 ICADLO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC001563276587 1073480439 /nfs/dbraw/zinc/48/04/39/1073480439.db2.gz PVVUHVVPVBZJMO-BBRMVZONSA-N 1 2 431.584 0.859 20 0 ICADLO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001563276587 1073480433 /nfs/dbraw/zinc/48/04/33/1073480433.db2.gz PVVUHVVPVBZJMO-BBRMVZONSA-N 1 2 431.584 0.859 20 0 ICADLO C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC001563276588 1073480264 /nfs/dbraw/zinc/48/02/64/1073480264.db2.gz PVVUHVVPVBZJMO-CJNGLKHVSA-N 1 2 431.584 0.859 20 0 ICADLO C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001563276588 1073480260 /nfs/dbraw/zinc/48/02/60/1073480260.db2.gz PVVUHVVPVBZJMO-CJNGLKHVSA-N 1 2 431.584 0.859 20 0 ICADLO C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC001563276589 1073480377 /nfs/dbraw/zinc/48/03/77/1073480377.db2.gz PVVUHVVPVBZJMO-CZUORRHYSA-N 1 2 431.584 0.859 20 0 ICADLO C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC001563276589 1073480372 /nfs/dbraw/zinc/48/03/72/1073480372.db2.gz PVVUHVVPVBZJMO-CZUORRHYSA-N 1 2 431.584 0.859 20 0 ICADLO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC001563276590 1073480403 /nfs/dbraw/zinc/48/04/03/1073480403.db2.gz PVVUHVVPVBZJMO-XJKSGUPXSA-N 1 2 431.584 0.859 20 0 ICADLO C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC001563276590 1073480398 /nfs/dbraw/zinc/48/03/98/1073480398.db2.gz PVVUHVVPVBZJMO-XJKSGUPXSA-N 1 2 431.584 0.859 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 ZINC001563276822 1073480209 /nfs/dbraw/zinc/48/02/09/1073480209.db2.gz SVNIDUAPOCIWCC-HNNXBMFYSA-N 1 2 448.567 0.260 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 ZINC001563276823 1073480411 /nfs/dbraw/zinc/48/04/11/1073480411.db2.gz SVNIDUAPOCIWCC-OAHLLOKOSA-N 1 2 448.567 0.260 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)c1ccc(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC001563276999 1073480309 /nfs/dbraw/zinc/48/03/09/1073480309.db2.gz YYMILTQUWVPYAG-UHFFFAOYSA-N 1 2 446.551 0.673 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)c1ccc(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC001563276999 1073480302 /nfs/dbraw/zinc/48/03/02/1073480302.db2.gz YYMILTQUWVPYAG-UHFFFAOYSA-N 1 2 446.551 0.673 20 0 ICADLO Cc1cc2nccc(NC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)n2n1 ZINC001563282634 1073480228 /nfs/dbraw/zinc/48/02/28/1073480228.db2.gz SGUIPOHFFNHRFV-UHFFFAOYSA-N 1 2 444.521 0.706 20 0 ICADLO COc1c(F)nccc1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001563362266 1073484459 /nfs/dbraw/zinc/48/44/59/1073484459.db2.gz CKPNPFAAWWWDDG-UHFFFAOYSA-N 1 2 438.485 0.898 20 0 ICADLO COc1cccc(OCC[NH+]2CCN(C(=O)Nc3n[nH]nc3C(=O)NC3CC3)CC2)c1 ZINC001563377542 1073484388 /nfs/dbraw/zinc/48/43/88/1073484388.db2.gz AGXIORFIUWHTSJ-UHFFFAOYSA-N 1 2 429.481 0.934 20 0 ICADLO CCS(=O)(=O)c1ccc2oc(NC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)nc2c1 ZINC001563391320 1073485005 /nfs/dbraw/zinc/48/50/05/1073485005.db2.gz APAIBWNCTBFQEK-CYBMUJFWSA-N 1 2 426.495 0.778 20 0 ICADLO CCS(=O)(=O)c1ccc2oc(NC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)nc2c1 ZINC001563391321 1073485204 /nfs/dbraw/zinc/48/52/04/1073485204.db2.gz APAIBWNCTBFQEK-ZDUSSCGKSA-N 1 2 426.495 0.778 20 0 ICADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001563413080 1073485832 /nfs/dbraw/zinc/48/58/32/1073485832.db2.gz FVDDLPWILCQSHP-GOSISDBHSA-N 1 2 448.549 0.327 20 0 ICADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001563413080 1073485825 /nfs/dbraw/zinc/48/58/25/1073485825.db2.gz FVDDLPWILCQSHP-GOSISDBHSA-N 1 2 448.549 0.327 20 0 ICADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001563413081 1073485913 /nfs/dbraw/zinc/48/59/13/1073485913.db2.gz FVDDLPWILCQSHP-SFHVURJKSA-N 1 2 448.549 0.327 20 0 ICADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001563413081 1073485910 /nfs/dbraw/zinc/48/59/10/1073485910.db2.gz FVDDLPWILCQSHP-SFHVURJKSA-N 1 2 448.549 0.327 20 0 ICADLO COc1ccc([C@H](CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)[NH+](C)C)cc1OC ZINC001563414021 1073486490 /nfs/dbraw/zinc/48/64/90/1073486490.db2.gz AGECDYNIZNVHAU-CVEARBPZSA-N 1 2 429.539 0.762 20 0 ICADLO COc1ccc([C@H](CNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)[NH+](C)C)cc1OC ZINC001563414022 1073486448 /nfs/dbraw/zinc/48/64/48/1073486448.db2.gz AGECDYNIZNVHAU-HOTGVXAUSA-N 1 2 429.539 0.762 20 0 ICADLO COc1ccc([C@@H](CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)[NH+](C)C)cc1OC ZINC001563414023 1073486375 /nfs/dbraw/zinc/48/63/75/1073486375.db2.gz AGECDYNIZNVHAU-HZPDHXFCSA-N 1 2 429.539 0.762 20 0 ICADLO COc1ccc([C@@H](CNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)[NH+](C)C)cc1OC ZINC001563414024 1073486322 /nfs/dbraw/zinc/48/63/22/1073486322.db2.gz AGECDYNIZNVHAU-JKSUJKDBSA-N 1 2 429.539 0.762 20 0 ICADLO NC(=O)c1cn(C2CCN(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)nn1 ZINC001563415137 1073486357 /nfs/dbraw/zinc/48/63/57/1073486357.db2.gz WTGIYGKTQDXRBE-GOSISDBHSA-N 1 2 427.509 0.625 20 0 ICADLO NC(=O)c1cn(C2CCN(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)nn1 ZINC001563415137 1073486352 /nfs/dbraw/zinc/48/63/52/1073486352.db2.gz WTGIYGKTQDXRBE-GOSISDBHSA-N 1 2 427.509 0.625 20 0 ICADLO NC(=O)c1cn(C2CCN(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)nn1 ZINC001563415138 1073486557 /nfs/dbraw/zinc/48/65/57/1073486557.db2.gz WTGIYGKTQDXRBE-SFHVURJKSA-N 1 2 427.509 0.625 20 0 ICADLO NC(=O)c1cn(C2CCN(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)nn1 ZINC001563415138 1073486552 /nfs/dbraw/zinc/48/65/52/1073486552.db2.gz WTGIYGKTQDXRBE-SFHVURJKSA-N 1 2 427.509 0.625 20 0 ICADLO CC(C)(CNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)[NH+]1CCOCC1 ZINC001563417477 1073487208 /nfs/dbraw/zinc/48/72/08/1073487208.db2.gz YIVWRVBQBIFAJV-UHFFFAOYSA-N 1 2 439.582 0.459 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H](O)CC12CCC2 ZINC001563446276 1073488477 /nfs/dbraw/zinc/48/84/77/1073488477.db2.gz BOKBIAIFJGZBCL-KRWDZBQOSA-N 1 2 437.566 0.622 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H](O)CC12CCC2 ZINC001563446277 1073488580 /nfs/dbraw/zinc/48/85/80/1073488580.db2.gz BOKBIAIFJGZBCL-QGZVFWFLSA-N 1 2 437.566 0.622 20 0 ICADLO CN(OCC(F)(F)F)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001563446303 1073488643 /nfs/dbraw/zinc/48/86/43/1073488643.db2.gz CSFFTUXPHBJLLR-UHFFFAOYSA-N 1 2 425.433 0.669 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC(O)(C1CC1)C1CC1 ZINC001563446318 1073488501 /nfs/dbraw/zinc/48/85/01/1073488501.db2.gz DMYCGMFHUKAMFK-UHFFFAOYSA-N 1 2 437.566 0.384 20 0 ICADLO CC(C)(O)[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001563446330 1073488560 /nfs/dbraw/zinc/48/85/60/1073488560.db2.gz DUVYAFOMQDTYJN-INIZCTEOSA-N 1 2 425.555 0.336 20 0 ICADLO CC(C)(O)[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001563446331 1073488629 /nfs/dbraw/zinc/48/86/29/1073488629.db2.gz DUVYAFOMQDTYJN-MRXNPFEDSA-N 1 2 425.555 0.336 20 0 ICADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@]1(C)CO ZINC001563446369 1073488602 /nfs/dbraw/zinc/48/86/02/1073488602.db2.gz FSRYBECMFDHFED-APWZRJJASA-N 1 2 425.555 0.193 20 0 ICADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@]1(C)CO ZINC001563446370 1073488591 /nfs/dbraw/zinc/48/85/91/1073488591.db2.gz FSRYBECMFDHFED-LPHOPBHVSA-N 1 2 425.555 0.193 20 0 ICADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@]1(C)CO ZINC001563446371 1073488465 /nfs/dbraw/zinc/48/84/65/1073488465.db2.gz FSRYBECMFDHFED-QFBILLFUSA-N 1 2 425.555 0.193 20 0 ICADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@]1(C)CO ZINC001563446372 1073488551 /nfs/dbraw/zinc/48/85/51/1073488551.db2.gz FSRYBECMFDHFED-VQIMIIECSA-N 1 2 425.555 0.193 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H]2CSC[C@@H]2C1 ZINC001563446471 1073489372 /nfs/dbraw/zinc/48/93/72/1073489372.db2.gz IXKQSRNZPPPDCS-IYBDPMFKSA-N 1 2 425.580 0.538 20 0 ICADLO CNc1cc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc[nH+]1 ZINC001563446478 1073489419 /nfs/dbraw/zinc/48/94/19/1073489419.db2.gz JGMKAJYBVXOGDJ-UHFFFAOYSA-N 1 2 433.538 0.470 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCC2(CCC2)O1 ZINC001563446506 1073489378 /nfs/dbraw/zinc/48/93/78/1073489378.db2.gz KCSZAMMOWLNRRO-KRWDZBQOSA-N 1 2 437.566 0.934 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCC2(CCC2)O1 ZINC001563446507 1073489254 /nfs/dbraw/zinc/48/92/54/1073489254.db2.gz KCSZAMMOWLNRRO-QGZVFWFLSA-N 1 2 437.566 0.934 20 0 ICADLO CO[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1(C)C ZINC001563446518 1073489345 /nfs/dbraw/zinc/48/93/45/1073489345.db2.gz KJVXUXZLHGZMNV-KRWDZBQOSA-N 1 2 439.582 0.990 20 0 ICADLO CO[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1(C)C ZINC001563446519 1073489291 /nfs/dbraw/zinc/48/92/91/1073489291.db2.gz KJVXUXZLHGZMNV-QGZVFWFLSA-N 1 2 439.582 0.990 20 0 ICADLO C[C@@]12COC[C@]1(C)CN(C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC001563446613 1073489338 /nfs/dbraw/zinc/48/93/38/1073489338.db2.gz MWFFMYXXFOMABK-BGYRXZFFSA-N 1 2 437.566 0.601 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1SCCS1 ZINC001563446633 1073489440 /nfs/dbraw/zinc/48/94/40/1073489440.db2.gz NKOZPXLIDIEOMR-UHFFFAOYSA-N 1 2 431.609 0.639 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H](CCCO)C1 ZINC001563446652 1073489227 /nfs/dbraw/zinc/48/92/27/1073489227.db2.gz OAIUEVDJBQABJI-KRWDZBQOSA-N 1 2 425.555 0.337 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H](CCCO)C1 ZINC001563446653 1073489389 /nfs/dbraw/zinc/48/93/89/1073489389.db2.gz OAIUEVDJBQABJI-QGZVFWFLSA-N 1 2 425.555 0.337 20 0 ICADLO CC(C)COC1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001563446674 1073490085 /nfs/dbraw/zinc/49/00/85/1073490085.db2.gz OYJVFDJGHPWKCF-UHFFFAOYSA-N 1 2 425.555 0.600 20 0 ICADLO CCn1ccnc1[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001563446809 1073490059 /nfs/dbraw/zinc/49/00/59/1073490059.db2.gz UWMZWJQAYPQVGR-INIZCTEOSA-N 1 2 435.554 0.810 20 0 ICADLO CCn1ccnc1[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001563446810 1073490044 /nfs/dbraw/zinc/49/00/44/1073490044.db2.gz UWMZWJQAYPQVGR-MRXNPFEDSA-N 1 2 435.554 0.810 20 0 ICADLO CN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](CO)c1ccccc1 ZINC001563446864 1073490026 /nfs/dbraw/zinc/49/00/26/1073490026.db2.gz WNENVIBUUMMXOO-IBGZPJMESA-N 1 2 447.561 0.908 20 0 ICADLO CN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](CO)c1ccccc1 ZINC001563446865 1073490070 /nfs/dbraw/zinc/49/00/70/1073490070.db2.gz WNENVIBUUMMXOO-LJQANCHMSA-N 1 2 447.561 0.908 20 0 ICADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC(C2(O)CC2)CC1 ZINC001563446896 1073490187 /nfs/dbraw/zinc/49/01/87/1073490187.db2.gz XKELKAXFTIRWKS-UHFFFAOYSA-N 1 2 437.566 0.480 20 0 ICADLO C[C@@H](CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1CCN(C)CC1 ZINC001563505183 1073491524 /nfs/dbraw/zinc/49/15/24/1073491524.db2.gz PDLJGYBDIQNBJI-KRWDZBQOSA-N 1 2 439.582 0.143 20 0 ICADLO C[C@H](CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1CCN(C)CC1 ZINC001563505184 1073491485 /nfs/dbraw/zinc/49/14/85/1073491485.db2.gz PDLJGYBDIQNBJI-QGZVFWFLSA-N 1 2 439.582 0.143 20 0 ICADLO C[C@H]1CN(c2ccc(CNC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)cn2)CCO1 ZINC001563568720 1073497490 /nfs/dbraw/zinc/49/74/90/1073497490.db2.gz IJFAMIYFYMPIHS-HTAPYJJXSA-N 1 2 433.553 0.722 20 0 ICADLO C[C@H]1CN(c2ccc(CNC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)cn2)CCO1 ZINC001563568720 1073497484 /nfs/dbraw/zinc/49/74/84/1073497484.db2.gz IJFAMIYFYMPIHS-HTAPYJJXSA-N 1 2 433.553 0.722 20 0 ICADLO C[C@H]1CN(c2ccc(CNC(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)cn2)CCO1 ZINC001563568721 1073497614 /nfs/dbraw/zinc/49/76/14/1073497614.db2.gz IJFAMIYFYMPIHS-JTSKRJEESA-N 1 2 433.553 0.722 20 0 ICADLO C[C@H]1CN(c2ccc(CNC(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)cn2)CCO1 ZINC001563568721 1073497607 /nfs/dbraw/zinc/49/76/07/1073497607.db2.gz IJFAMIYFYMPIHS-JTSKRJEESA-N 1 2 433.553 0.722 20 0 ICADLO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)cn2)CCO1 ZINC001563568722 1073497646 /nfs/dbraw/zinc/49/76/46/1073497646.db2.gz IJFAMIYFYMPIHS-VGOFRKELSA-N 1 2 433.553 0.722 20 0 ICADLO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)cn2)CCO1 ZINC001563568722 1073497643 /nfs/dbraw/zinc/49/76/43/1073497643.db2.gz IJFAMIYFYMPIHS-VGOFRKELSA-N 1 2 433.553 0.722 20 0 ICADLO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)cn2)CCO1 ZINC001563568723 1073497563 /nfs/dbraw/zinc/49/75/63/1073497563.db2.gz IJFAMIYFYMPIHS-VGSWGCGISA-N 1 2 433.553 0.722 20 0 ICADLO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)cn2)CCO1 ZINC001563568723 1073497558 /nfs/dbraw/zinc/49/75/58/1073497558.db2.gz IJFAMIYFYMPIHS-VGSWGCGISA-N 1 2 433.553 0.722 20 0 ICADLO CCn1cc(CNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(=O)[nH]c1=O ZINC001563580798 1073498366 /nfs/dbraw/zinc/49/83/66/1073498366.db2.gz HHQSIKXADDQQCL-UHFFFAOYSA-N 1 2 428.493 0.871 20 0 ICADLO CNC(=O)NC[C@@H]1COCCN1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001563580808 1073498428 /nfs/dbraw/zinc/49/84/28/1073498428.db2.gz HOIPRMZUAXYDAI-GOSISDBHSA-N 1 2 432.525 0.429 20 0 ICADLO CNC(=O)NC[C@H]1COCCN1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001563580809 1073498950 /nfs/dbraw/zinc/49/89/50/1073498950.db2.gz HOIPRMZUAXYDAI-SFHVURJKSA-N 1 2 432.525 0.429 20 0 ICADLO C[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCN1S(C)(=O)=O ZINC001563580969 1073498880 /nfs/dbraw/zinc/49/88/80/1073498880.db2.gz NHQBFUJSUFIPTF-MRXNPFEDSA-N 1 2 437.566 0.765 20 0 ICADLO COC(=O)CCNC(=O)CCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001563581095 1073498871 /nfs/dbraw/zinc/49/88/71/1073498871.db2.gz RAUUGZZUMNHNNX-UHFFFAOYSA-N 1 2 433.509 0.458 20 0 ICADLO COCCNS(=O)(=O)c1ccc(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001563592383 1073500054 /nfs/dbraw/zinc/50/00/54/1073500054.db2.gz YMBGVAQHUDTHDE-UHFFFAOYSA-N 1 2 428.555 0.521 20 0 ICADLO CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001563611059 1073500754 /nfs/dbraw/zinc/50/07/54/1073500754.db2.gz XPCDAELFWKEGKG-HSZRJFAPSA-N 1 2 432.565 0.934 20 0 ICADLO CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001563611060 1073500848 /nfs/dbraw/zinc/50/08/48/1073500848.db2.gz XPCDAELFWKEGKG-QHCPKHFHSA-N 1 2 432.565 0.934 20 0 ICADLO COCc1n[nH]c(CNC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)n1 ZINC001563680391 1073503883 /nfs/dbraw/zinc/50/38/83/1073503883.db2.gz RHYCDGBHMODREA-UHFFFAOYSA-N 1 2 431.497 0.611 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001563706127 1073505233 /nfs/dbraw/zinc/50/52/33/1073505233.db2.gz CXDGBOIBXDAMCU-IYBDPMFKSA-N 1 2 425.530 0.228 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001563706127 1073505226 /nfs/dbraw/zinc/50/52/26/1073505226.db2.gz CXDGBOIBXDAMCU-IYBDPMFKSA-N 1 2 425.530 0.228 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001563706342 1073505869 /nfs/dbraw/zinc/50/58/69/1073505869.db2.gz GVXIPRRDXQGHGY-INIZCTEOSA-N 1 2 427.546 0.476 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001563706342 1073505861 /nfs/dbraw/zinc/50/58/61/1073505861.db2.gz GVXIPRRDXQGHGY-INIZCTEOSA-N 1 2 427.546 0.476 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001563706343 1073505669 /nfs/dbraw/zinc/50/56/69/1073505669.db2.gz GVXIPRRDXQGHGY-MRXNPFEDSA-N 1 2 427.546 0.476 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001563706343 1073505653 /nfs/dbraw/zinc/50/56/53/1073505653.db2.gz GVXIPRRDXQGHGY-MRXNPFEDSA-N 1 2 427.546 0.476 20 0 ICADLO C[C@@H](CNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCN(C)CC1 ZINC001563706757 1073505893 /nfs/dbraw/zinc/50/58/93/1073505893.db2.gz LPGBEYYYLZBIDT-INIZCTEOSA-N 1 2 426.562 0.001 20 0 ICADLO C[C@H](CNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCN(C)CC1 ZINC001563706758 1073505616 /nfs/dbraw/zinc/50/56/16/1073505616.db2.gz LPGBEYYYLZBIDT-MRXNPFEDSA-N 1 2 426.562 0.001 20 0 ICADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001563722283 1073506249 /nfs/dbraw/zinc/50/62/49/1073506249.db2.gz JBMCQUPGONZCHY-FOIQADDNSA-N 1 2 440.566 0.571 20 0 ICADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001563722283 1073506232 /nfs/dbraw/zinc/50/62/32/1073506232.db2.gz JBMCQUPGONZCHY-FOIQADDNSA-N 1 2 440.566 0.571 20 0 ICADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001563722284 1073506330 /nfs/dbraw/zinc/50/63/30/1073506330.db2.gz JBMCQUPGONZCHY-MGPUTAFESA-N 1 2 440.566 0.571 20 0 ICADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001563722284 1073506308 /nfs/dbraw/zinc/50/63/08/1073506308.db2.gz JBMCQUPGONZCHY-MGPUTAFESA-N 1 2 440.566 0.571 20 0 ICADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001563722285 1073506493 /nfs/dbraw/zinc/50/64/93/1073506493.db2.gz JBMCQUPGONZCHY-QRWLVFNGSA-N 1 2 440.566 0.571 20 0 ICADLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001563722285 1073506481 /nfs/dbraw/zinc/50/64/81/1073506481.db2.gz JBMCQUPGONZCHY-QRWLVFNGSA-N 1 2 440.566 0.571 20 0 ICADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001563722286 1073506554 /nfs/dbraw/zinc/50/65/54/1073506554.db2.gz JBMCQUPGONZCHY-YWZLYKJASA-N 1 2 440.566 0.571 20 0 ICADLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001563722286 1073506550 /nfs/dbraw/zinc/50/65/50/1073506550.db2.gz JBMCQUPGONZCHY-YWZLYKJASA-N 1 2 440.566 0.571 20 0 ICADLO O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001563734930 1073507265 /nfs/dbraw/zinc/50/72/65/1073507265.db2.gz SLXJTUAUFNILKE-FQEVSTJZSA-N 1 2 438.594 0.697 20 0 ICADLO O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001563734931 1073507063 /nfs/dbraw/zinc/50/70/63/1073507063.db2.gz SLXJTUAUFNILKE-HXUWFJFHSA-N 1 2 438.594 0.697 20 0 ICADLO CC(C)(C)n1cc(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c(=O)[nH]c1=O ZINC001563764468 1073508882 /nfs/dbraw/zinc/50/88/82/1073508882.db2.gz CNBMPTDSYGSYNP-IBGZPJMESA-N 1 2 425.555 0.711 20 0 ICADLO CC(C)(C)n1cc(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c(=O)[nH]c1=O ZINC001563764469 1073508597 /nfs/dbraw/zinc/50/85/97/1073508597.db2.gz CNBMPTDSYGSYNP-LJQANCHMSA-N 1 2 425.555 0.711 20 0 ICADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC001563764901 1073508711 /nfs/dbraw/zinc/50/87/11/1073508711.db2.gz PJFGRCVPTGEVFV-LMMKCTJWSA-N 1 2 446.639 0.887 20 0 ICADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC001563764902 1073508570 /nfs/dbraw/zinc/50/85/70/1073508570.db2.gz PJFGRCVPTGEVFV-ZHALLVOQSA-N 1 2 446.639 0.887 20 0 ICADLO CN(C)S(=O)(=O)C1(CNC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001563777196 1073509378 /nfs/dbraw/zinc/50/93/78/1073509378.db2.gz AXMPLZXNNCDVAJ-UHFFFAOYSA-N 1 2 440.566 0.621 20 0 ICADLO CNC(=O)NC[C@@H]1COCCN1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001563777307 1073509181 /nfs/dbraw/zinc/50/91/81/1073509181.db2.gz FMKRNSRMTVMMGB-GOSISDBHSA-N 1 2 435.525 0.237 20 0 ICADLO CNC(=O)NC[C@H]1COCCN1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001563777308 1073509508 /nfs/dbraw/zinc/50/95/08/1073509508.db2.gz FMKRNSRMTVMMGB-SFHVURJKSA-N 1 2 435.525 0.237 20 0 ICADLO O=C(NCCO)C1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001563777588 1073509281 /nfs/dbraw/zinc/50/92/81/1073509281.db2.gz OTVQFABJNSVVQV-UHFFFAOYSA-N 1 2 434.537 0.428 20 0 ICADLO O=C(NCCn1cc[nH+]c1)N1CCN(c2ncc(I)cn2)CC1 ZINC001563778988 1073509322 /nfs/dbraw/zinc/50/93/22/1073509322.db2.gz HUSPYDWIAFQWAL-UHFFFAOYSA-N 1 2 427.250 0.810 20 0 ICADLO CN(C)S(=O)(=O)C1(CNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC001563788014 1073511151 /nfs/dbraw/zinc/51/11/51/1073511151.db2.gz BBRXZKRPWIAZSK-UHFFFAOYSA-N 1 2 440.566 0.621 20 0 ICADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001563788211 1073511344 /nfs/dbraw/zinc/51/13/44/1073511344.db2.gz ICKVZRGXPAMITE-GOSISDBHSA-N 1 2 442.520 0.971 20 0 ICADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001563788212 1073511230 /nfs/dbraw/zinc/51/12/30/1073511230.db2.gz ICKVZRGXPAMITE-SFHVURJKSA-N 1 2 442.520 0.971 20 0 ICADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001563788679 1073511295 /nfs/dbraw/zinc/51/12/95/1073511295.db2.gz WCFAPTJMXUTEGO-MOPGFXCFSA-N 1 2 437.562 0.974 20 0 ICADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001563788680 1073511388 /nfs/dbraw/zinc/51/13/88/1073511388.db2.gz WCFAPTJMXUTEGO-OALUTQOASA-N 1 2 437.562 0.974 20 0 ICADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001563788681 1073511175 /nfs/dbraw/zinc/51/11/75/1073511175.db2.gz WCFAPTJMXUTEGO-RBUKOAKNSA-N 1 2 437.562 0.974 20 0 ICADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001563788682 1073511100 /nfs/dbraw/zinc/51/11/00/1073511100.db2.gz WCFAPTJMXUTEGO-RTBURBONSA-N 1 2 437.562 0.974 20 0 ICADLO O=C(CCNC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001563815535 1073512830 /nfs/dbraw/zinc/51/28/30/1073512830.db2.gz LLSWHJGLXZTCON-SJORKVTESA-N 1 2 435.550 0.481 20 0 ICADLO O=C(CCNC(=O)N(CCO)CCOCC(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC001563815790 1073513681 /nfs/dbraw/zinc/51/36/81/1073513681.db2.gz VAINHTGEQPIGKE-UHFFFAOYSA-N 1 2 447.458 0.703 20 0 ICADLO CCOC(=O)[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC12COC2 ZINC001563815925 1073513461 /nfs/dbraw/zinc/51/34/61/1073513461.db2.gz YZFQKTPAIOFWKQ-KRWDZBQOSA-N 1 2 445.520 0.341 20 0 ICADLO CCOC(=O)[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC12COC2 ZINC001563815926 1073513544 /nfs/dbraw/zinc/51/35/44/1073513544.db2.gz YZFQKTPAIOFWKQ-QGZVFWFLSA-N 1 2 445.520 0.341 20 0 ICADLO CCOC(=O)[C@@]1(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCOC1 ZINC001563815992 1073513701 /nfs/dbraw/zinc/51/37/01/1073513701.db2.gz BMTXEHJGCUEFHL-JOCHJYFZSA-N 1 2 447.536 0.779 20 0 ICADLO CCOC(=O)[C@]1(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCOC1 ZINC001563815993 1073513579 /nfs/dbraw/zinc/51/35/79/1073513579.db2.gz BMTXEHJGCUEFHL-QFIPXVFZSA-N 1 2 447.536 0.779 20 0 ICADLO O=C(CCNC(=O)N(CCN1CCOCC1)CC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001563816794 1073513632 /nfs/dbraw/zinc/51/36/32/1073513632.db2.gz VDZGPQRSPJMZLU-UHFFFAOYSA-N 1 2 444.580 0.874 20 0 ICADLO CS(=O)(=O)N1CCN(CCNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001563878770 1073517306 /nfs/dbraw/zinc/51/73/06/1073517306.db2.gz SOILIFVTBDDUBW-UHFFFAOYSA-N 1 2 440.957 0.902 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC001563887707 1073518344 /nfs/dbraw/zinc/51/83/44/1073518344.db2.gz SIBSPEWSAVGWPD-NRFANRHFSA-N 1 2 433.509 0.231 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC001563887708 1073518575 /nfs/dbraw/zinc/51/85/75/1073518575.db2.gz SIBSPEWSAVGWPD-OAQYLSRUSA-N 1 2 433.509 0.231 20 0 ICADLO COCC[N@@H+](C)CCNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001563892982 1073519094 /nfs/dbraw/zinc/51/90/94/1073519094.db2.gz PKBLCQYNONWTAW-HNNXBMFYSA-N 1 2 436.575 0.288 20 0 ICADLO COCC[N@H+](C)CCNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001563892982 1073519083 /nfs/dbraw/zinc/51/90/83/1073519083.db2.gz PKBLCQYNONWTAW-HNNXBMFYSA-N 1 2 436.575 0.288 20 0 ICADLO COCC[N@@H+](C)CCNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001563892983 1073518898 /nfs/dbraw/zinc/51/88/98/1073518898.db2.gz PKBLCQYNONWTAW-OAHLLOKOSA-N 1 2 436.575 0.288 20 0 ICADLO COCC[N@H+](C)CCNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001563892983 1073518893 /nfs/dbraw/zinc/51/88/93/1073518893.db2.gz PKBLCQYNONWTAW-OAHLLOKOSA-N 1 2 436.575 0.288 20 0 ICADLO C[C@]1(c2ccc(CNC(=O)N3CC[NH+](CCc4cnccn4)CC3)cc2)NC(=O)NC1=O ZINC001563898262 1073519812 /nfs/dbraw/zinc/51/98/12/1073519812.db2.gz DHINSPLGXKALOI-JOCHJYFZSA-N 1 2 437.504 0.601 20 0 ICADLO C[C@@]1(c2ccc(CNC(=O)N3CC[NH+](CCc4cnccn4)CC3)cc2)NC(=O)NC1=O ZINC001563898263 1073519726 /nfs/dbraw/zinc/51/97/26/1073519726.db2.gz DHINSPLGXKALOI-QFIPXVFZSA-N 1 2 437.504 0.601 20 0 ICADLO C[NH+](C)Cc1csc(CNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC001563908793 1073520852 /nfs/dbraw/zinc/52/08/52/1073520852.db2.gz KXUMDKVLJCAKHM-UHFFFAOYSA-N 1 2 432.554 0.533 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CCC(=O)N(C)CC3)cc2)CC1 ZINC001563909809 1073520768 /nfs/dbraw/zinc/52/07/68/1073520768.db2.gz FTCIYJBSWBJFNR-UHFFFAOYSA-N 1 2 445.564 0.646 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC001563909833 1073520964 /nfs/dbraw/zinc/52/09/64/1073520964.db2.gz 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CC1(C)COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001563936765 1073522675 /nfs/dbraw/zinc/52/26/75/1073522675.db2.gz RADLUPWXHZVBNJ-UHFFFAOYSA-N 1 2 439.582 0.459 20 0 ICADLO CC[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)NCc1cccs1 ZINC001563952883 1073523833 /nfs/dbraw/zinc/52/38/33/1073523833.db2.gz DFEVLBUYZQEXJC-INIZCTEOSA-N 1 2 430.596 0.951 20 0 ICADLO CC[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)NCc1cccs1 ZINC001563952884 1073523885 /nfs/dbraw/zinc/52/38/85/1073523885.db2.gz DFEVLBUYZQEXJC-MRXNPFEDSA-N 1 2 430.596 0.951 20 0 ICADLO CCN1C(=O)N=NC1C1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001563953256 1073523775 /nfs/dbraw/zinc/52/37/75/1073523775.db2.gz JUHOAVXGCGQLQB-UHFFFAOYSA-N 1 2 428.559 0.402 20 0 ICADLO Cc1cnc(OC2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)nc1 ZINC001563953719 1073523727 /nfs/dbraw/zinc/52/37/27/1073523727.db2.gz QVAMXUAWVCLSOX-UHFFFAOYSA-N 1 2 425.555 0.847 20 0 ICADLO C[C@@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H]1NC(=O)C(F)(F)F 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COC[C@@]1(C)CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC001563968103 1073527399 /nfs/dbraw/zinc/52/73/99/1073527399.db2.gz YVROBUAEVOZURE-DYESRHJHSA-N 1 2 434.541 0.729 20 0 ICADLO COC[C@@]1(C)CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC001563968104 1073527507 /nfs/dbraw/zinc/52/75/07/1073527507.db2.gz YVROBUAEVOZURE-LAUBAEHRSA-N 1 2 434.541 0.729 20 0 ICADLO COC[C@@]1(C)CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC001563968104 1073527493 /nfs/dbraw/zinc/52/74/93/1073527493.db2.gz YVROBUAEVOZURE-LAUBAEHRSA-N 1 2 434.541 0.729 20 0 ICADLO COC[C@]1(C)CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC001563968105 1073528308 /nfs/dbraw/zinc/52/83/08/1073528308.db2.gz YVROBUAEVOZURE-UTKZUKDTSA-N 1 2 434.541 0.729 20 0 ICADLO COC[C@]1(C)CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC001563968105 1073528293 /nfs/dbraw/zinc/52/82/93/1073528293.db2.gz YVROBUAEVOZURE-UTKZUKDTSA-N 1 2 434.541 0.729 20 0 ICADLO COC[C@]1(C)CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC001563968106 1073528484 /nfs/dbraw/zinc/52/84/84/1073528484.db2.gz YVROBUAEVOZURE-UWJYYQICSA-N 1 2 434.541 0.729 20 0 ICADLO COC[C@]1(C)CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC001563968106 1073528475 /nfs/dbraw/zinc/52/84/75/1073528475.db2.gz YVROBUAEVOZURE-UWJYYQICSA-N 1 2 434.541 0.729 20 0 ICADLO C[C@@H]1[C@H](C)N(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)[C@@H](C)C(=O)N1C ZINC001563968121 1073528197 /nfs/dbraw/zinc/52/81/97/1073528197.db2.gz ZCCIYXAZOWAXCO-OWSLCNJRSA-N 1 2 445.568 0.931 20 0 ICADLO C[C@@H]1[C@H](C)N(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)[C@@H](C)C(=O)N1C ZINC001563968121 1073528190 /nfs/dbraw/zinc/52/81/90/1073528190.db2.gz ZCCIYXAZOWAXCO-OWSLCNJRSA-N 1 2 445.568 0.931 20 0 ICADLO C[C@@H]1[C@H](C)N(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)[C@@H](C)C(=O)N1C ZINC001563968122 1073528134 /nfs/dbraw/zinc/52/81/34/1073528134.db2.gz ZCCIYXAZOWAXCO-VSZNYVQBSA-N 1 2 445.568 0.931 20 0 ICADLO C[C@@H]1[C@H](C)N(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)[C@@H](C)C(=O)N1C ZINC001563968122 1073528115 /nfs/dbraw/zinc/52/81/15/1073528115.db2.gz ZCCIYXAZOWAXCO-VSZNYVQBSA-N 1 2 445.568 0.931 20 0 ICADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001563968123 1073528394 /nfs/dbraw/zinc/52/83/94/1073528394.db2.gz ZCCIYXAZOWAXCO-XDNAFOTISA-N 1 2 445.568 0.931 20 0 ICADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001563968123 1073528383 /nfs/dbraw/zinc/52/83/83/1073528383.db2.gz ZCCIYXAZOWAXCO-XDNAFOTISA-N 1 2 445.568 0.931 20 0 ICADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001563968124 1073528366 /nfs/dbraw/zinc/52/83/66/1073528366.db2.gz ZCCIYXAZOWAXCO-XMTFNYHQSA-N 1 2 445.568 0.931 20 0 ICADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001563968124 1073528352 /nfs/dbraw/zinc/52/83/52/1073528352.db2.gz ZCCIYXAZOWAXCO-XMTFNYHQSA-N 1 2 445.568 0.931 20 0 ICADLO C[C@@H](NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)[C@H](C)[NH+]1CCOCC1 ZINC001563977178 1073528981 /nfs/dbraw/zinc/52/89/81/1073528981.db2.gz VTNQOZLNHAJQIL-CABCVRRESA-N 1 2 437.545 0.978 20 0 ICADLO C[C@H](NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)[C@H](C)[NH+]1CCOCC1 ZINC001563977179 1073529129 /nfs/dbraw/zinc/52/91/29/1073529129.db2.gz VTNQOZLNHAJQIL-GJZGRUSLSA-N 1 2 437.545 0.978 20 0 ICADLO C[C@@H](NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)[C@@H](C)[NH+]1CCOCC1 ZINC001563977180 1073529031 /nfs/dbraw/zinc/52/90/31/1073529031.db2.gz VTNQOZLNHAJQIL-HUUCEWRRSA-N 1 2 437.545 0.978 20 0 ICADLO C[C@H]([C@H](C)NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)[NH+]1CCOCC1 ZINC001563977181 1073528886 /nfs/dbraw/zinc/52/88/86/1073528886.db2.gz VTNQOZLNHAJQIL-LSDHHAIUSA-N 1 2 437.545 0.978 20 0 ICADLO C[NH+](C)Cc1csc(CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)n1 ZINC001564102192 1073535864 /nfs/dbraw/zinc/53/58/64/1073535864.db2.gz OJXWKUVIBDYXFM-UHFFFAOYSA-N 1 2 445.611 0.977 20 0 ICADLO CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC001564118188 1073537008 /nfs/dbraw/zinc/53/70/08/1073537008.db2.gz HHPAIBPDFYGURW-UHFFFAOYSA-N 1 2 439.557 0.173 20 0 ICADLO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1=O ZINC001564236783 1073542053 /nfs/dbraw/zinc/54/20/53/1073542053.db2.gz DAQVNWDMZOILDR-LHSJRXKWSA-N 1 2 437.541 0.812 20 0 ICADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1=O ZINC001564236784 1073542179 /nfs/dbraw/zinc/54/21/79/1073542179.db2.gz DAQVNWDMZOILDR-QKKBWIMNSA-N 1 2 437.541 0.812 20 0 ICADLO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1=O ZINC001564236785 1073541894 /nfs/dbraw/zinc/54/18/94/1073541894.db2.gz DAQVNWDMZOILDR-SPLOXXLWSA-N 1 2 437.541 0.812 20 0 ICADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1=O ZINC001564236786 1073541704 /nfs/dbraw/zinc/54/17/04/1073541704.db2.gz DAQVNWDMZOILDR-SZNDQCEHSA-N 1 2 437.541 0.812 20 0 ICADLO O=C(NCCNS(=O)(=O)c1cccnc1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001564397660 1073548927 /nfs/dbraw/zinc/54/89/27/1073548927.db2.gz NCTLSTGNIDOOAM-UHFFFAOYSA-N 1 2 436.563 0.808 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC001564467382 1073552443 /nfs/dbraw/zinc/55/24/43/1073552443.db2.gz NMHZOZOGTQMMGZ-ACRUOGEOSA-N 1 2 429.565 0.995 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC001564467382 1073552435 /nfs/dbraw/zinc/55/24/35/1073552435.db2.gz NMHZOZOGTQMMGZ-ACRUOGEOSA-N 1 2 429.565 0.995 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC001564467383 1073552358 /nfs/dbraw/zinc/55/23/58/1073552358.db2.gz NMHZOZOGTQMMGZ-HKBOAZHASA-N 1 2 429.565 0.995 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC001564467383 1073552352 /nfs/dbraw/zinc/55/23/52/1073552352.db2.gz NMHZOZOGTQMMGZ-HKBOAZHASA-N 1 2 429.565 0.995 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC001564467384 1073552383 /nfs/dbraw/zinc/55/23/83/1073552383.db2.gz NMHZOZOGTQMMGZ-PCCBWWKXSA-N 1 2 429.565 0.995 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC001564467384 1073552376 /nfs/dbraw/zinc/55/23/76/1073552376.db2.gz NMHZOZOGTQMMGZ-PCCBWWKXSA-N 1 2 429.565 0.995 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC001564467385 1073552421 /nfs/dbraw/zinc/55/24/21/1073552421.db2.gz NMHZOZOGTQMMGZ-QHAWAJNXSA-N 1 2 429.565 0.995 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC001564467385 1073552414 /nfs/dbraw/zinc/55/24/14/1073552414.db2.gz NMHZOZOGTQMMGZ-QHAWAJNXSA-N 1 2 429.565 0.995 20 0 ICADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCNS(=O)(=O)N(C)C)[nH+]c12 ZINC001564537209 1073554694 /nfs/dbraw/zinc/55/46/94/1073554694.db2.gz KBKXBQMNEJIABL-UHFFFAOYSA-N 1 2 447.359 0.643 20 0 ICADLO CS(=O)(=O)Cc1nc(CNC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)n[nH]1 ZINC001564551886 1073555265 /nfs/dbraw/zinc/55/52/65/1073555265.db2.gz GDYSACYQDSDKGZ-HNNXBMFYSA-N 1 2 438.579 0.766 20 0 ICADLO CS(=O)(=O)Cc1nc(CNC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)n[nH]1 ZINC001564551886 1073555258 /nfs/dbraw/zinc/55/52/58/1073555258.db2.gz GDYSACYQDSDKGZ-HNNXBMFYSA-N 1 2 438.579 0.766 20 0 ICADLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)n1 ZINC001564551886 1073555254 /nfs/dbraw/zinc/55/52/54/1073555254.db2.gz GDYSACYQDSDKGZ-HNNXBMFYSA-N 1 2 438.579 0.766 20 0 ICADLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)n1 ZINC001564551886 1073555246 /nfs/dbraw/zinc/55/52/46/1073555246.db2.gz GDYSACYQDSDKGZ-HNNXBMFYSA-N 1 2 438.579 0.766 20 0 ICADLO CS(=O)(=O)Cc1nc(CNC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)n[nH]1 ZINC001564551887 1073555151 /nfs/dbraw/zinc/55/51/51/1073555151.db2.gz GDYSACYQDSDKGZ-OAHLLOKOSA-N 1 2 438.579 0.766 20 0 ICADLO CS(=O)(=O)Cc1nc(CNC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)n[nH]1 ZINC001564551887 1073555142 /nfs/dbraw/zinc/55/51/42/1073555142.db2.gz GDYSACYQDSDKGZ-OAHLLOKOSA-N 1 2 438.579 0.766 20 0 ICADLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)n1 ZINC001564551887 1073555126 /nfs/dbraw/zinc/55/51/26/1073555126.db2.gz GDYSACYQDSDKGZ-OAHLLOKOSA-N 1 2 438.579 0.766 20 0 ICADLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)n1 ZINC001564551887 1073555108 /nfs/dbraw/zinc/55/51/08/1073555108.db2.gz GDYSACYQDSDKGZ-OAHLLOKOSA-N 1 2 438.579 0.766 20 0 ICADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001564605955 1073557338 /nfs/dbraw/zinc/55/73/38/1073557338.db2.gz ZAYFRWNVXHEMBR-CABCVRRESA-N 1 2 441.554 0.921 20 0 ICADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001564605956 1073557278 /nfs/dbraw/zinc/55/72/78/1073557278.db2.gz ZAYFRWNVXHEMBR-GJZGRUSLSA-N 1 2 441.554 0.921 20 0 ICADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001564605957 1073557426 /nfs/dbraw/zinc/55/74/26/1073557426.db2.gz ZAYFRWNVXHEMBR-HUUCEWRRSA-N 1 2 441.554 0.921 20 0 ICADLO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001564605958 1073557381 /nfs/dbraw/zinc/55/73/81/1073557381.db2.gz ZAYFRWNVXHEMBR-LSDHHAIUSA-N 1 2 441.554 0.921 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC001564623164 1073557871 /nfs/dbraw/zinc/55/78/71/1073557871.db2.gz QAWVNKOKZMTNIN-HSZRJFAPSA-N 1 2 446.548 0.574 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC001564623164 1073557864 /nfs/dbraw/zinc/55/78/64/1073557864.db2.gz QAWVNKOKZMTNIN-HSZRJFAPSA-N 1 2 446.548 0.574 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC001564623165 1073558045 /nfs/dbraw/zinc/55/80/45/1073558045.db2.gz QAWVNKOKZMTNIN-QHCPKHFHSA-N 1 2 446.548 0.574 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC001564623165 1073558042 /nfs/dbraw/zinc/55/80/42/1073558042.db2.gz QAWVNKOKZMTNIN-QHCPKHFHSA-N 1 2 446.548 0.574 20 0 ICADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC001564628378 1073558492 /nfs/dbraw/zinc/55/84/92/1073558492.db2.gz RYKGFBZVBKPGFF-GDBMZVCRSA-N 1 2 432.587 0.810 20 0 ICADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC001564628379 1073558373 /nfs/dbraw/zinc/55/83/73/1073558373.db2.gz RYKGFBZVBKPGFF-GOEBONIOSA-N 1 2 432.587 0.810 20 0 ICADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC001564628380 1073558315 /nfs/dbraw/zinc/55/83/15/1073558315.db2.gz RYKGFBZVBKPGFF-HOCLYGCPSA-N 1 2 432.587 0.810 20 0 ICADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC001564628381 1073558969 /nfs/dbraw/zinc/55/89/69/1073558969.db2.gz RYKGFBZVBKPGFF-ZBFHGGJFSA-N 1 2 432.587 0.810 20 0 ICADLO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001564635844 1073558944 /nfs/dbraw/zinc/55/89/44/1073558944.db2.gz UFVABQOHPXCUNZ-AWEZNQCLSA-N 1 2 434.921 0.874 20 0 ICADLO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001564635845 1073559075 /nfs/dbraw/zinc/55/90/75/1073559075.db2.gz UFVABQOHPXCUNZ-CQSZACIVSA-N 1 2 434.921 0.874 20 0 ICADLO C[C@@H](CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl)[NH+]1CCN(C)CC1 ZINC001564651746 1073560830 /nfs/dbraw/zinc/56/08/30/1073560830.db2.gz NJRDWDXAVMARCW-HNNXBMFYSA-N 1 2 431.990 0.944 20 0 ICADLO C[C@H](CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl)[NH+]1CCN(C)CC1 ZINC001564651747 1073560622 /nfs/dbraw/zinc/56/06/22/1073560622.db2.gz NJRDWDXAVMARCW-OAHLLOKOSA-N 1 2 431.990 0.944 20 0 ICADLO CCOC1CC(CNC(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)([NH+]2CCOCC2)C1 ZINC001564678802 1073561926 /nfs/dbraw/zinc/56/19/26/1073561926.db2.gz LPUXDBWGTZRHEP-LRYGQEGESA-N 1 2 432.587 0.227 20 0 ICADLO CCOC1CC(CNC(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)([NH+]2CCOCC2)C1 ZINC001564678803 1073562107 /nfs/dbraw/zinc/56/21/07/1073562107.db2.gz LPUXDBWGTZRHEP-MUYFXNHWSA-N 1 2 432.587 0.227 20 0 ICADLO CCOC1CC(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)([NH+]2CCOCC2)C1 ZINC001564680624 1073562034 /nfs/dbraw/zinc/56/20/34/1073562034.db2.gz VSXNNIFSNCMHBX-HRWABPMOSA-N 1 2 429.583 0.911 20 0 ICADLO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CCS(=O)(=O)C[C@H]1CCO ZINC001564695493 1073562635 /nfs/dbraw/zinc/56/26/35/1073562635.db2.gz ABTLMFPOKAVXOV-SHARSMKWSA-N 1 2 427.489 0.983 20 0 ICADLO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001564695494 1073562606 /nfs/dbraw/zinc/56/26/06/1073562606.db2.gz ABTLMFPOKAVXOV-SLTAFYQDSA-N 1 2 427.489 0.983 20 0 ICADLO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)s1 ZINC001564703216 1073563017 /nfs/dbraw/zinc/56/30/17/1073563017.db2.gz HBDSGZZXHMRNGK-GOSISDBHSA-N 1 2 431.580 0.957 20 0 ICADLO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)s1 ZINC001564703216 1073563007 /nfs/dbraw/zinc/56/30/07/1073563007.db2.gz HBDSGZZXHMRNGK-GOSISDBHSA-N 1 2 431.580 0.957 20 0 ICADLO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)s1 ZINC001564703217 1073563282 /nfs/dbraw/zinc/56/32/82/1073563282.db2.gz HBDSGZZXHMRNGK-SFHVURJKSA-N 1 2 431.580 0.957 20 0 ICADLO CCS(=O)(=O)c1ccc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)s1 ZINC001564703217 1073563279 /nfs/dbraw/zinc/56/32/79/1073563279.db2.gz HBDSGZZXHMRNGK-SFHVURJKSA-N 1 2 431.580 0.957 20 0 ICADLO COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)[C@@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC001564719187 1073564157 /nfs/dbraw/zinc/56/41/57/1073564157.db2.gz BKQMQHONIOAYIG-HNNXBMFYSA-N 1 2 426.539 0.430 20 0 ICADLO COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)[C@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC001564719188 1073564360 /nfs/dbraw/zinc/56/43/60/1073564360.db2.gz BKQMQHONIOAYIG-OAHLLOKOSA-N 1 2 426.539 0.430 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001564726328 1073565550 /nfs/dbraw/zinc/56/55/50/1073565550.db2.gz CTKYOEKLMCWVTD-DKTYTTGXSA-N 1 2 428.537 0.623 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001564726328 1073565538 /nfs/dbraw/zinc/56/55/38/1073565538.db2.gz CTKYOEKLMCWVTD-DKTYTTGXSA-N 1 2 428.537 0.623 20 0 ICADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001564726329 1073565305 /nfs/dbraw/zinc/56/53/05/1073565305.db2.gz CTKYOEKLMCWVTD-WUZYXKQASA-N 1 2 428.537 0.623 20 0 ICADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001564726329 1073565296 /nfs/dbraw/zinc/56/52/96/1073565296.db2.gz CTKYOEKLMCWVTD-WUZYXKQASA-N 1 2 428.537 0.623 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC001564747401 1073566499 /nfs/dbraw/zinc/56/64/99/1073566499.db2.gz XAAWTZVPFJBGSA-DLBZAZTESA-N 1 2 430.546 0.347 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC001564747402 1073566568 /nfs/dbraw/zinc/56/65/68/1073566568.db2.gz XAAWTZVPFJBGSA-IAGOWNOFSA-N 1 2 430.546 0.347 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC001564747403 1073566432 /nfs/dbraw/zinc/56/64/32/1073566432.db2.gz XAAWTZVPFJBGSA-IRXDYDNUSA-N 1 2 430.546 0.347 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC001564747404 1073566456 /nfs/dbraw/zinc/56/64/56/1073566456.db2.gz XAAWTZVPFJBGSA-SJORKVTESA-N 1 2 430.546 0.347 20 0 ICADLO Cc1ccc(F)c(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001564766015 1073567048 /nfs/dbraw/zinc/56/70/48/1073567048.db2.gz YVAFTHHNQIZEIX-UHFFFAOYSA-N 1 2 427.546 0.496 20 0 ICADLO CO[C@@](C)(CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001564782302 1073568021 /nfs/dbraw/zinc/56/80/21/1073568021.db2.gz CPBVFPHYBDLTSX-FQEVSTJZSA-N 1 2 439.582 0.368 20 0 ICADLO CO[C@](C)(CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001564782303 1073567899 /nfs/dbraw/zinc/56/78/99/1073567899.db2.gz CPBVFPHYBDLTSX-HXUWFJFHSA-N 1 2 439.582 0.368 20 0 ICADLO O=C(NCCS(=O)(=O)C1CCOCC1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001564789468 1071761772 /nfs/dbraw/zinc/76/17/72/1071761772.db2.gz YEKOAIDVWMQXDO-GOSISDBHSA-N 1 2 425.551 0.299 20 0 ICADLO O=C(NCCS(=O)(=O)C1CCOCC1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001564789468 1071761761 /nfs/dbraw/zinc/76/17/61/1071761761.db2.gz YEKOAIDVWMQXDO-GOSISDBHSA-N 1 2 425.551 0.299 20 0 ICADLO CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC001564798540 1071763080 /nfs/dbraw/zinc/76/30/80/1071763080.db2.gz DRWOLUZZAFRADD-UHFFFAOYSA-N 1 2 432.550 0.797 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001564891450 1071766983 /nfs/dbraw/zinc/76/69/83/1071766983.db2.gz RSFYQZKXKGPAIR-KRWDZBQOSA-N 1 2 430.546 0.613 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001564891451 1071767415 /nfs/dbraw/zinc/76/74/15/1071767415.db2.gz RSFYQZKXKGPAIR-QGZVFWFLSA-N 1 2 430.546 0.613 20 0 ICADLO CCN1C(=S)N=NC1CCNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001564896879 1071768725 /nfs/dbraw/zinc/76/87/25/1071768725.db2.gz DTIBWYFEKRQQPU-CYBMUJFWSA-N 1 2 427.575 0.980 20 0 ICADLO CCN1C(=S)N=NC1CCNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001564896879 1071768719 /nfs/dbraw/zinc/76/87/19/1071768719.db2.gz DTIBWYFEKRQQPU-CYBMUJFWSA-N 1 2 427.575 0.980 20 0 ICADLO CCN1C(=S)N=NC1CCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001564896880 1071768806 /nfs/dbraw/zinc/76/88/06/1071768806.db2.gz DTIBWYFEKRQQPU-ZDUSSCGKSA-N 1 2 427.575 0.980 20 0 ICADLO CCN1C(=S)N=NC1CCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001564896880 1071768795 /nfs/dbraw/zinc/76/87/95/1071768795.db2.gz DTIBWYFEKRQQPU-ZDUSSCGKSA-N 1 2 427.575 0.980 20 0 ICADLO C[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1NC(=O)C(F)(F)F ZINC001564897805 1071768626 /nfs/dbraw/zinc/76/86/26/1071768626.db2.gz CQDLSVCMCLSYLT-CABCVRRESA-N 1 2 436.475 0.966 20 0 ICADLO Cc1cc(N2CCN(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)nc(C(C)C)[nH+]1 ZINC001564911960 1071770491 /nfs/dbraw/zinc/77/04/91/1071770491.db2.gz SGBZMBGWKGHGHE-UHFFFAOYSA-N 1 2 429.529 0.911 20 0 ICADLO CC(C)C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)N1CCOCC1 ZINC001564973660 1071775046 /nfs/dbraw/zinc/77/50/46/1071775046.db2.gz XPVXOQSWAGWIND-KRWDZBQOSA-N 1 2 432.587 0.068 20 0 ICADLO COc1c(C)cccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001564989377 1071776651 /nfs/dbraw/zinc/77/66/51/1071776651.db2.gz VYVVDGTZAQAKSY-UHFFFAOYSA-N 1 2 425.555 0.323 20 0 ICADLO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 ZINC001565034797 1071783722 /nfs/dbraw/zinc/78/37/22/1071783722.db2.gz ULOZNPHUQOBPHF-UHFFFAOYSA-N 1 2 428.477 0.479 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC001565059378 1071787437 /nfs/dbraw/zinc/78/74/37/1071787437.db2.gz OCTADCCVNJRQTO-AWEZNQCLSA-N 1 2 428.331 0.984 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC001565059378 1071787428 /nfs/dbraw/zinc/78/74/28/1071787428.db2.gz OCTADCCVNJRQTO-AWEZNQCLSA-N 1 2 428.331 0.984 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC001565059379 1071787848 /nfs/dbraw/zinc/78/78/48/1071787848.db2.gz OCTADCCVNJRQTO-CQSZACIVSA-N 1 2 428.331 0.984 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC001565059379 1071787843 /nfs/dbraw/zinc/78/78/43/1071787843.db2.gz OCTADCCVNJRQTO-CQSZACIVSA-N 1 2 428.331 0.984 20 0 ICADLO CCOC(=O)C1=CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC001565070330 1071788954 /nfs/dbraw/zinc/78/89/54/1071788954.db2.gz ZASZGVAVUQRVBK-KRWDZBQOSA-N 1 2 430.509 0.797 20 0 ICADLO CCOC(=O)C1=CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC001565070330 1071788937 /nfs/dbraw/zinc/78/89/37/1071788937.db2.gz ZASZGVAVUQRVBK-KRWDZBQOSA-N 1 2 430.509 0.797 20 0 ICADLO CCOC(=O)C1=CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC001565070331 1071789118 /nfs/dbraw/zinc/78/91/18/1071789118.db2.gz ZASZGVAVUQRVBK-QGZVFWFLSA-N 1 2 430.509 0.797 20 0 ICADLO CCOC(=O)C1=CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC001565070331 1071789111 /nfs/dbraw/zinc/78/91/11/1071789111.db2.gz ZASZGVAVUQRVBK-QGZVFWFLSA-N 1 2 430.509 0.797 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC2(S(C)(=O)=O)CCCCC2)CC1 ZINC001565079486 1071790003 /nfs/dbraw/zinc/79/00/03/1071790003.db2.gz MLEXTJIVIQRAML-UHFFFAOYSA-N 1 2 435.554 0.942 20 0 ICADLO CN(OCC(F)(F)F)C(=O)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001565102361 1071792700 /nfs/dbraw/zinc/79/27/00/1071792700.db2.gz ROPQHWSNWKUBPM-UHFFFAOYSA-N 1 2 446.430 0.372 20 0 ICADLO CC(C)(C)OC(=O)NCc1cc(=O)[nH]c(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001565102988 1071792671 /nfs/dbraw/zinc/79/26/71/1071792671.db2.gz DUXVNFPHQXLICF-GASCZTMLSA-N 1 2 436.513 0.869 20 0 ICADLO CC(C)(C)OC(=O)NCc1cc(=O)[nH]c(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001565102988 1071792659 /nfs/dbraw/zinc/79/26/59/1071792659.db2.gz DUXVNFPHQXLICF-GASCZTMLSA-N 1 2 436.513 0.869 20 0 ICADLO C[C@H](NC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1)[C@H]1CN(C)CC[N@H+]1C ZINC001565104052 1071793086 /nfs/dbraw/zinc/79/30/86/1071793086.db2.gz PHFKUNLYULFNKZ-DZGCQCFKSA-N 1 2 437.545 0.640 20 0 ICADLO C[C@H](NC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1)[C@H]1CN(C)CC[N@@H+]1C ZINC001565104052 1071793073 /nfs/dbraw/zinc/79/30/73/1071793073.db2.gz PHFKUNLYULFNKZ-DZGCQCFKSA-N 1 2 437.545 0.640 20 0 ICADLO C[C@@H](NC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1)[C@@H]1CN(C)CC[N@H+]1C ZINC001565104053 1071793345 /nfs/dbraw/zinc/79/33/45/1071793345.db2.gz PHFKUNLYULFNKZ-HIFRSBDPSA-N 1 2 437.545 0.640 20 0 ICADLO C[C@@H](NC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001565104053 1071793343 /nfs/dbraw/zinc/79/33/43/1071793343.db2.gz PHFKUNLYULFNKZ-HIFRSBDPSA-N 1 2 437.545 0.640 20 0 ICADLO C[C@@H](NC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1)[C@H]1CN(C)CC[N@H+]1C ZINC001565104055 1071793142 /nfs/dbraw/zinc/79/31/42/1071793142.db2.gz PHFKUNLYULFNKZ-UKRRQHHQSA-N 1 2 437.545 0.640 20 0 ICADLO C[C@@H](NC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1)[C@H]1CN(C)CC[N@@H+]1C ZINC001565104055 1071793130 /nfs/dbraw/zinc/79/31/30/1071793130.db2.gz PHFKUNLYULFNKZ-UKRRQHHQSA-N 1 2 437.545 0.640 20 0 ICADLO C[C@H](NC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1)[C@@H]1CN(C)CC[N@H+]1C ZINC001565104057 1071793259 /nfs/dbraw/zinc/79/32/59/1071793259.db2.gz PHFKUNLYULFNKZ-ZFWWWQNUSA-N 1 2 437.545 0.640 20 0 ICADLO C[C@H](NC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001565104057 1071793252 /nfs/dbraw/zinc/79/32/52/1071793252.db2.gz PHFKUNLYULFNKZ-ZFWWWQNUSA-N 1 2 437.545 0.640 20 0 ICADLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC001565113941 1071793905 /nfs/dbraw/zinc/79/39/05/1071793905.db2.gz XSLYLLYLQJDFID-AZUAARDMSA-N 1 2 436.578 0.752 20 0 ICADLO O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001565113942 1071793813 /nfs/dbraw/zinc/79/38/13/1071793813.db2.gz XSLYLLYLQJDFID-ICSRJNTNSA-N 1 2 436.578 0.752 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC001565113943 1071793956 /nfs/dbraw/zinc/79/39/56/1071793956.db2.gz XSLYLLYLQJDFID-QUCCMNQESA-N 1 2 436.578 0.752 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC001565113944 1071793981 /nfs/dbraw/zinc/79/39/81/1071793981.db2.gz XSLYLLYLQJDFID-UYAOXDASSA-N 1 2 436.578 0.752 20 0 ICADLO Cc1cccc2c1C[C@H](NC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CO2 ZINC001565116076 1071793931 /nfs/dbraw/zinc/79/39/31/1071793931.db2.gz WFGHCSIJFSSXOI-KRWDZBQOSA-N 1 2 437.566 0.118 20 0 ICADLO Cc1cccc2c1C[C@@H](NC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CO2 ZINC001565116077 1071793760 /nfs/dbraw/zinc/79/37/60/1071793760.db2.gz WFGHCSIJFSSXOI-QGZVFWFLSA-N 1 2 437.566 0.118 20 0 ICADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCSCC4)c3)C[C@H]21 ZINC001565152886 1071794928 /nfs/dbraw/zinc/79/49/28/1071794928.db2.gz ZBYPULAWZRVMJF-XHSDSOJGSA-N 1 2 426.564 0.588 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001565195188 1071799432 /nfs/dbraw/zinc/79/94/32/1071799432.db2.gz VJCANOKNDHMFPO-GDBMZVCRSA-N 1 2 428.892 0.919 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001565195189 1071799614 /nfs/dbraw/zinc/79/96/14/1071799614.db2.gz VJCANOKNDHMFPO-GOEBONIOSA-N 1 2 428.892 0.919 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001565195190 1071799633 /nfs/dbraw/zinc/79/96/33/1071799633.db2.gz VJCANOKNDHMFPO-HOCLYGCPSA-N 1 2 428.892 0.919 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001565195191 1071799412 /nfs/dbraw/zinc/79/94/12/1071799412.db2.gz VJCANOKNDHMFPO-ZBFHGGJFSA-N 1 2 428.892 0.919 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)c1 ZINC001565223760 1071804034 /nfs/dbraw/zinc/80/40/34/1071804034.db2.gz VRZNOYIFDIKIJA-NRFANRHFSA-N 1 2 429.565 0.802 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)c1 ZINC001565223760 1071804014 /nfs/dbraw/zinc/80/40/14/1071804014.db2.gz VRZNOYIFDIKIJA-NRFANRHFSA-N 1 2 429.565 0.802 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)c1 ZINC001565223761 1071803868 /nfs/dbraw/zinc/80/38/68/1071803868.db2.gz VRZNOYIFDIKIJA-OAQYLSRUSA-N 1 2 429.565 0.802 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)c1 ZINC001565223761 1071803852 /nfs/dbraw/zinc/80/38/52/1071803852.db2.gz VRZNOYIFDIKIJA-OAQYLSRUSA-N 1 2 429.565 0.802 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)C2)c1 ZINC001565224891 1071804575 /nfs/dbraw/zinc/80/45/75/1071804575.db2.gz OCJNMORAMVEXST-GOSISDBHSA-N 1 2 429.521 0.922 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)C2)c1 ZINC001565224891 1071804559 /nfs/dbraw/zinc/80/45/59/1071804559.db2.gz OCJNMORAMVEXST-GOSISDBHSA-N 1 2 429.521 0.922 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)C2)c1 ZINC001565224894 1071804611 /nfs/dbraw/zinc/80/46/11/1071804611.db2.gz OCJNMORAMVEXST-SFHVURJKSA-N 1 2 429.521 0.922 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)C2)c1 ZINC001565224894 1071804599 /nfs/dbraw/zinc/80/45/99/1071804599.db2.gz OCJNMORAMVEXST-SFHVURJKSA-N 1 2 429.521 0.922 20 0 ICADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC001565225055 1071804703 /nfs/dbraw/zinc/80/47/03/1071804703.db2.gz NFRXHYOXVZHZEY-INIZCTEOSA-N 1 2 437.585 0.787 20 0 ICADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC001565225056 1071804846 /nfs/dbraw/zinc/80/48/46/1071804846.db2.gz NFRXHYOXVZHZEY-MRXNPFEDSA-N 1 2 437.585 0.787 20 0 ICADLO CNS(=O)(=O)NC1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC001565225320 1071804330 /nfs/dbraw/zinc/80/43/30/1071804330.db2.gz UJZOQYKWLBXLFH-IBGZPJMESA-N 1 2 439.582 0.424 20 0 ICADLO CNS(=O)(=O)NC1CCN(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC001565225320 1071804312 /nfs/dbraw/zinc/80/43/12/1071804312.db2.gz UJZOQYKWLBXLFH-IBGZPJMESA-N 1 2 439.582 0.424 20 0 ICADLO CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC001565225322 1071804910 /nfs/dbraw/zinc/80/49/10/1071804910.db2.gz UJZOQYKWLBXLFH-LJQANCHMSA-N 1 2 439.582 0.424 20 0 ICADLO CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CC1 ZINC001565225322 1071804895 /nfs/dbraw/zinc/80/48/95/1071804895.db2.gz UJZOQYKWLBXLFH-LJQANCHMSA-N 1 2 439.582 0.424 20 0 ICADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC001565225368 1071804440 /nfs/dbraw/zinc/80/44/40/1071804440.db2.gz SUTXTWQUAMCPHV-HZPDHXFCSA-N 1 2 432.587 0.952 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC001565225465 1071804669 /nfs/dbraw/zinc/80/46/69/1071804669.db2.gz VLLAFWGANJKAKA-UHFFFAOYSA-N 1 2 428.574 0.781 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)Cc3nnc4c(=O)[nH]ccn34)C2)cc1 ZINC001565227982 1071804532 /nfs/dbraw/zinc/80/45/32/1071804532.db2.gz MUJBTWLDKXOYOK-KRWDZBQOSA-N 1 2 425.493 0.768 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)Cc3nnc4c(=O)[nH]ccn34)C2)cc1 ZINC001565227982 1071804515 /nfs/dbraw/zinc/80/45/15/1071804515.db2.gz MUJBTWLDKXOYOK-KRWDZBQOSA-N 1 2 425.493 0.768 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)Cc3nnc4c(=O)[nH]ccn34)C2)cc1 ZINC001565227983 1071804781 /nfs/dbraw/zinc/80/47/81/1071804781.db2.gz MUJBTWLDKXOYOK-QGZVFWFLSA-N 1 2 425.493 0.768 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)Cc3nnc4c(=O)[nH]ccn34)C2)cc1 ZINC001565227983 1071804755 /nfs/dbraw/zinc/80/47/55/1071804755.db2.gz MUJBTWLDKXOYOK-QGZVFWFLSA-N 1 2 425.493 0.768 20 0 ICADLO Cn1c[nH+]cc1CNC(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC001565240669 1071806721 /nfs/dbraw/zinc/80/67/21/1071806721.db2.gz DZHFSJGUEOFCOM-UHFFFAOYSA-N 1 2 427.250 0.847 20 0 ICADLO C[C@@H](CNC(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)[NH+]1CCN(C)CC1 ZINC001565248050 1071807408 /nfs/dbraw/zinc/80/74/08/1071807408.db2.gz NHFCSHRBZSHTKD-DLBZAZTESA-N 1 2 425.574 0.644 20 0 ICADLO C[C@H](CNC(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)[NH+]1CCN(C)CC1 ZINC001565248053 1071807210 /nfs/dbraw/zinc/80/72/10/1071807210.db2.gz NHFCSHRBZSHTKD-IAGOWNOFSA-N 1 2 425.574 0.644 20 0 ICADLO C[C@@H](CNC(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)[NH+]1CCN(C)CC1 ZINC001565248055 1071807502 /nfs/dbraw/zinc/80/75/02/1071807502.db2.gz NHFCSHRBZSHTKD-IRXDYDNUSA-N 1 2 425.574 0.644 20 0 ICADLO C[C@H](CNC(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)[NH+]1CCN(C)CC1 ZINC001565248057 1071807470 /nfs/dbraw/zinc/80/74/70/1071807470.db2.gz NHFCSHRBZSHTKD-SJORKVTESA-N 1 2 425.574 0.644 20 0 ICADLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001565265354 1071809955 /nfs/dbraw/zinc/80/99/55/1071809955.db2.gz ITDXCJZLSDLHED-AZUAARDMSA-N 1 2 428.599 0.393 20 0 ICADLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001565265355 1071810342 /nfs/dbraw/zinc/81/03/42/1071810342.db2.gz ITDXCJZLSDLHED-ICSRJNTNSA-N 1 2 428.599 0.393 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001565265356 1071810160 /nfs/dbraw/zinc/81/01/60/1071810160.db2.gz ITDXCJZLSDLHED-QUCCMNQESA-N 1 2 428.599 0.393 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001565265357 1071809722 /nfs/dbraw/zinc/80/97/22/1071809722.db2.gz ITDXCJZLSDLHED-UYAOXDASSA-N 1 2 428.599 0.393 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001565266209 1071811966 /nfs/dbraw/zinc/81/19/66/1071811966.db2.gz ITOOTLIWALXSOP-GOSISDBHSA-N 1 2 428.599 0.536 20 0 ICADLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001565266210 1071811983 /nfs/dbraw/zinc/81/19/83/1071811983.db2.gz ITOOTLIWALXSOP-SFHVURJKSA-N 1 2 428.599 0.536 20 0 ICADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001565317441 1071817111 /nfs/dbraw/zinc/81/71/11/1071817111.db2.gz RDLGUGOVBRJCDV-HNNXBMFYSA-N 1 2 437.545 0.932 20 0 ICADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001565317442 1071817052 /nfs/dbraw/zinc/81/70/52/1071817052.db2.gz RDLGUGOVBRJCDV-OAHLLOKOSA-N 1 2 437.545 0.932 20 0 ICADLO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001565329751 1071818501 /nfs/dbraw/zinc/81/85/01/1071818501.db2.gz ATIYLEYJNRTZKB-IBGZPJMESA-N 1 2 431.537 0.267 20 0 ICADLO CC(C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)CS(C)(=O)=O ZINC001565331151 1071819024 /nfs/dbraw/zinc/81/90/24/1071819024.db2.gz WOIQWPQAIIMSLR-UHFFFAOYSA-N 1 2 440.570 0.216 20 0 ICADLO CC(C)(CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)CS(C)(=O)=O ZINC001565331151 1071819017 /nfs/dbraw/zinc/81/90/17/1071819017.db2.gz WOIQWPQAIIMSLR-UHFFFAOYSA-N 1 2 440.570 0.216 20 0 ICADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCCc2nnc3c(=O)n(C)ccn23)CC1 ZINC001565362327 1071825453 /nfs/dbraw/zinc/82/54/53/1071825453.db2.gz OMYNWLVYHNKKBO-UHFFFAOYSA-N 1 2 439.520 0.815 20 0 ICADLO O=C(NCc1nnc2c(=O)[nH]ccn12)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001565367852 1071826691 /nfs/dbraw/zinc/82/66/91/1071826691.db2.gz TVXPCUQRNUJCFI-UHFFFAOYSA-N 1 2 431.884 0.977 20 0 ICADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC001565374617 1071828747 /nfs/dbraw/zinc/82/87/47/1071828747.db2.gz HJLPZCJRIPPKCE-INIZCTEOSA-N 1 2 434.566 0.694 20 0 ICADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC001565374618 1071829642 /nfs/dbraw/zinc/82/96/42/1071829642.db2.gz HJLPZCJRIPPKCE-MRXNPFEDSA-N 1 2 434.566 0.694 20 0 ICADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC001565374661 1071829429 /nfs/dbraw/zinc/82/94/29/1071829429.db2.gz IHDHOJOYHBNVQD-GOSISDBHSA-N 1 2 435.544 0.994 20 0 ICADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC001565374662 1071829580 /nfs/dbraw/zinc/82/95/80/1071829580.db2.gz IHDHOJOYHBNVQD-SFHVURJKSA-N 1 2 435.544 0.994 20 0 ICADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001565375015 1071829791 /nfs/dbraw/zinc/82/97/91/1071829791.db2.gz OSUXQOIOKCVNDE-CVEARBPZSA-N 1 2 439.557 0.617 20 0 ICADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001565375016 1071829697 /nfs/dbraw/zinc/82/96/97/1071829697.db2.gz OSUXQOIOKCVNDE-HOTGVXAUSA-N 1 2 439.557 0.617 20 0 ICADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001565375017 1071829534 /nfs/dbraw/zinc/82/95/34/1071829534.db2.gz OSUXQOIOKCVNDE-HZPDHXFCSA-N 1 2 439.557 0.617 20 0 ICADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001565375018 1071829823 /nfs/dbraw/zinc/82/98/23/1071829823.db2.gz OSUXQOIOKCVNDE-JKSUJKDBSA-N 1 2 439.557 0.617 20 0 ICADLO CO[C@]1(CNC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCS(=O)(=O)C1 ZINC001565380188 1071831506 /nfs/dbraw/zinc/83/15/06/1071831506.db2.gz ZUKQDVDPTWQHAW-IBGZPJMESA-N 1 2 425.555 0.944 20 0 ICADLO CO[C@@]1(CNC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCS(=O)(=O)C1 ZINC001565380189 1071831769 /nfs/dbraw/zinc/83/17/69/1071831769.db2.gz ZUKQDVDPTWQHAW-LJQANCHMSA-N 1 2 425.555 0.944 20 0 ICADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001565384642 1071831557 /nfs/dbraw/zinc/83/15/57/1071831557.db2.gz OOFPEOIOWIFNTF-UHFFFAOYSA-N 1 2 445.564 0.964 20 0 ICADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001565384642 1071831547 /nfs/dbraw/zinc/83/15/47/1071831547.db2.gz OOFPEOIOWIFNTF-UHFFFAOYSA-N 1 2 445.564 0.964 20 0 ICADLO CC(C)OCCCNC(=O)C1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001565384820 1071832709 /nfs/dbraw/zinc/83/27/09/1071832709.db2.gz QUBDGLDARWHCPQ-UHFFFAOYSA-N 1 2 426.558 0.788 20 0 ICADLO CC(C)OCCCNC(=O)C1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001565384820 1071832701 /nfs/dbraw/zinc/83/27/01/1071832701.db2.gz QUBDGLDARWHCPQ-UHFFFAOYSA-N 1 2 426.558 0.788 20 0 ICADLO O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001565384840 1071832749 /nfs/dbraw/zinc/83/27/49/1071832749.db2.gz CEXNKFFITJCEAE-DLBZAZTESA-N 1 2 426.514 0.514 20 0 ICADLO O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001565384840 1071832740 /nfs/dbraw/zinc/83/27/40/1071832740.db2.gz CEXNKFFITJCEAE-DLBZAZTESA-N 1 2 426.514 0.514 20 0 ICADLO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001565384841 1071832591 /nfs/dbraw/zinc/83/25/91/1071832591.db2.gz CEXNKFFITJCEAE-IAGOWNOFSA-N 1 2 426.514 0.514 20 0 ICADLO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001565384841 1071832586 /nfs/dbraw/zinc/83/25/86/1071832586.db2.gz CEXNKFFITJCEAE-IAGOWNOFSA-N 1 2 426.514 0.514 20 0 ICADLO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001565384842 1071832391 /nfs/dbraw/zinc/83/23/91/1071832391.db2.gz CEXNKFFITJCEAE-IRXDYDNUSA-N 1 2 426.514 0.514 20 0 ICADLO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001565384842 1071832380 /nfs/dbraw/zinc/83/23/80/1071832380.db2.gz CEXNKFFITJCEAE-IRXDYDNUSA-N 1 2 426.514 0.514 20 0 ICADLO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001565384843 1071832686 /nfs/dbraw/zinc/83/26/86/1071832686.db2.gz CEXNKFFITJCEAE-SJORKVTESA-N 1 2 426.514 0.514 20 0 ICADLO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001565384843 1071832682 /nfs/dbraw/zinc/83/26/82/1071832682.db2.gz CEXNKFFITJCEAE-SJORKVTESA-N 1 2 426.514 0.514 20 0 ICADLO O=C(CN1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1)Nc1ccccc1F ZINC001565384903 1071832567 /nfs/dbraw/zinc/83/25/67/1071832567.db2.gz QWZODQVBSNXBPK-UHFFFAOYSA-N 1 2 435.500 0.540 20 0 ICADLO O=C(CN1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1)Nc1ccccc1F ZINC001565384903 1071832557 /nfs/dbraw/zinc/83/25/57/1071832557.db2.gz QWZODQVBSNXBPK-UHFFFAOYSA-N 1 2 435.500 0.540 20 0 ICADLO CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)NCC[N@H+]1CCC3(C1)OCCO3)CCO2 ZINC001565385460 1071832792 /nfs/dbraw/zinc/83/27/92/1071832792.db2.gz ITOBOTKANUZNGB-UHFFFAOYSA-N 1 2 426.514 0.467 20 0 ICADLO CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)NCC[N@@H+]1CCC3(C1)OCCO3)CCO2 ZINC001565385460 1071832789 /nfs/dbraw/zinc/83/27/89/1071832789.db2.gz ITOBOTKANUZNGB-UHFFFAOYSA-N 1 2 426.514 0.467 20 0 ICADLO CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)CC2)CC1 ZINC001565403930 1071834180 /nfs/dbraw/zinc/83/41/80/1071834180.db2.gz LFGKCYWWTVHEEL-UHFFFAOYSA-N 1 2 427.575 0.049 20 0 ICADLO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001565404047 1071834187 /nfs/dbraw/zinc/83/41/87/1071834187.db2.gz OKOITJXOZWJPFW-UHFFFAOYSA-N 1 2 449.581 0.309 20 0 ICADLO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 ZINC001565404047 1071834183 /nfs/dbraw/zinc/83/41/83/1071834183.db2.gz OKOITJXOZWJPFW-UHFFFAOYSA-N 1 2 449.581 0.309 20 0 ICADLO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CC1 ZINC001565404101 1071834055 /nfs/dbraw/zinc/83/40/55/1071834055.db2.gz POLWZGNNUNBHPA-GASCZTMLSA-N 1 2 427.575 0.049 20 0 ICADLO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CC1 ZINC001565404101 1071834046 /nfs/dbraw/zinc/83/40/46/1071834046.db2.gz POLWZGNNUNBHPA-GASCZTMLSA-N 1 2 427.575 0.049 20 0 ICADLO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CC1 ZINC001565404102 1071834130 /nfs/dbraw/zinc/83/41/30/1071834130.db2.gz POLWZGNNUNBHPA-GJZGRUSLSA-N 1 2 427.575 0.049 20 0 ICADLO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CC1 ZINC001565404103 1071834602 /nfs/dbraw/zinc/83/46/02/1071834602.db2.gz POLWZGNNUNBHPA-HUUCEWRRSA-N 1 2 427.575 0.049 20 0 ICADLO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001565404286 1071834213 /nfs/dbraw/zinc/83/42/13/1071834213.db2.gz UQEKULYQDYICFX-IBGZPJMESA-N 1 2 436.538 0.128 20 0 ICADLO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001565404286 1071834210 /nfs/dbraw/zinc/83/42/10/1071834210.db2.gz UQEKULYQDYICFX-IBGZPJMESA-N 1 2 436.538 0.128 20 0 ICADLO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001565404287 1071834410 /nfs/dbraw/zinc/83/44/10/1071834410.db2.gz UQEKULYQDYICFX-LJQANCHMSA-N 1 2 436.538 0.128 20 0 ICADLO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001565404287 1071834387 /nfs/dbraw/zinc/83/43/87/1071834387.db2.gz UQEKULYQDYICFX-LJQANCHMSA-N 1 2 436.538 0.128 20 0 ICADLO CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2=O)C1 ZINC001565439920 1071836481 /nfs/dbraw/zinc/83/64/81/1071836481.db2.gz COZDZBXUXJGWKU-BHYGNILZSA-N 1 2 437.541 0.369 20 0 ICADLO CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2=O)C1 ZINC001565439920 1071836471 /nfs/dbraw/zinc/83/64/71/1071836471.db2.gz COZDZBXUXJGWKU-BHYGNILZSA-N 1 2 437.541 0.369 20 0 ICADLO CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2=O)C1 ZINC001565439921 1071836661 /nfs/dbraw/zinc/83/66/61/1071836661.db2.gz COZDZBXUXJGWKU-OIISXLGYSA-N 1 2 437.541 0.369 20 0 ICADLO CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2=O)C1 ZINC001565439921 1071836655 /nfs/dbraw/zinc/83/66/55/1071836655.db2.gz COZDZBXUXJGWKU-OIISXLGYSA-N 1 2 437.541 0.369 20 0 ICADLO COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3cccc[nH+]3)CC1)CCS2(=O)=O ZINC001565448222 1071838002 /nfs/dbraw/zinc/83/80/02/1071838002.db2.gz BNTNZENBMXHAPD-LFDOHDQPSA-N 1 2 436.534 0.812 20 0 ICADLO COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3cccc[nH+]3)CC1)CCS2(=O)=O ZINC001565448223 1071838080 /nfs/dbraw/zinc/83/80/80/1071838080.db2.gz BNTNZENBMXHAPD-NGEICVOHSA-N 1 2 436.534 0.812 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCc1ccc(S(N)(=O)=O)cc1 ZINC001565462621 1071841137 /nfs/dbraw/zinc/84/11/37/1071841137.db2.gz BERHAMPKELPMMF-FQEVSTJZSA-N 1 2 440.566 0.182 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCc1ccc(S(N)(=O)=O)cc1 ZINC001565462621 1071841128 /nfs/dbraw/zinc/84/11/28/1071841128.db2.gz BERHAMPKELPMMF-FQEVSTJZSA-N 1 2 440.566 0.182 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCCc1ccc(S(N)(=O)=O)cc1 ZINC001565462622 1071841042 /nfs/dbraw/zinc/84/10/42/1071841042.db2.gz BERHAMPKELPMMF-HXUWFJFHSA-N 1 2 440.566 0.182 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCCc1ccc(S(N)(=O)=O)cc1 ZINC001565462622 1071841033 /nfs/dbraw/zinc/84/10/33/1071841033.db2.gz BERHAMPKELPMMF-HXUWFJFHSA-N 1 2 440.566 0.182 20 0 ICADLO Cc1ccc2[nH]cc(CCNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2c1 ZINC001565467949 1071841802 /nfs/dbraw/zinc/84/18/02/1071841802.db2.gz KPSOOYRCCYKGMT-UHFFFAOYSA-N 1 2 448.593 0.838 20 0 ICADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001565483923 1071843505 /nfs/dbraw/zinc/84/35/05/1071843505.db2.gz MLDMXUOOIGXDCB-PBHICJAKSA-N 1 2 445.536 0.615 20 0 ICADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001565483923 1071843492 /nfs/dbraw/zinc/84/34/92/1071843492.db2.gz MLDMXUOOIGXDCB-PBHICJAKSA-N 1 2 445.536 0.615 20 0 ICADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001565483924 1071843638 /nfs/dbraw/zinc/84/36/38/1071843638.db2.gz MLDMXUOOIGXDCB-RHSMWYFYSA-N 1 2 445.536 0.615 20 0 ICADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001565483924 1071843625 /nfs/dbraw/zinc/84/36/25/1071843625.db2.gz MLDMXUOOIGXDCB-RHSMWYFYSA-N 1 2 445.536 0.615 20 0 ICADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001565483925 1071843815 /nfs/dbraw/zinc/84/38/15/1071843815.db2.gz MLDMXUOOIGXDCB-WMLDXEAASA-N 1 2 445.536 0.615 20 0 ICADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001565483925 1071843806 /nfs/dbraw/zinc/84/38/06/1071843806.db2.gz MLDMXUOOIGXDCB-WMLDXEAASA-N 1 2 445.536 0.615 20 0 ICADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001565483926 1071843680 /nfs/dbraw/zinc/84/36/80/1071843680.db2.gz MLDMXUOOIGXDCB-YOEHRIQHSA-N 1 2 445.536 0.615 20 0 ICADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001565483926 1071843672 /nfs/dbraw/zinc/84/36/72/1071843672.db2.gz MLDMXUOOIGXDCB-YOEHRIQHSA-N 1 2 445.536 0.615 20 0 ICADLO C[C@H](NC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001565484356 1071843853 /nfs/dbraw/zinc/84/38/53/1071843853.db2.gz VHVSGUIAMXEPAF-IEZWGBDMSA-N 1 2 441.573 0.912 20 0 ICADLO C[C@H](NC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001565484356 1071843845 /nfs/dbraw/zinc/84/38/45/1071843845.db2.gz VHVSGUIAMXEPAF-IEZWGBDMSA-N 1 2 441.573 0.912 20 0 ICADLO C[C@H](NC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001565484357 1071843448 /nfs/dbraw/zinc/84/34/48/1071843448.db2.gz VHVSGUIAMXEPAF-KVSKMBFKSA-N 1 2 441.573 0.912 20 0 ICADLO C[C@H](NC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001565484357 1071843441 /nfs/dbraw/zinc/84/34/41/1071843441.db2.gz VHVSGUIAMXEPAF-KVSKMBFKSA-N 1 2 441.573 0.912 20 0 ICADLO C[C@H](NC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001565484358 1071843705 /nfs/dbraw/zinc/84/37/05/1071843705.db2.gz VHVSGUIAMXEPAF-VDZJLULYSA-N 1 2 441.573 0.912 20 0 ICADLO C[C@H](NC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001565484358 1071843701 /nfs/dbraw/zinc/84/37/01/1071843701.db2.gz VHVSGUIAMXEPAF-VDZJLULYSA-N 1 2 441.573 0.912 20 0 ICADLO C[C@H](NC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001565484359 1071843390 /nfs/dbraw/zinc/84/33/90/1071843390.db2.gz VHVSGUIAMXEPAF-WDYCEAGBSA-N 1 2 441.573 0.912 20 0 ICADLO C[C@H](NC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001565484359 1071843375 /nfs/dbraw/zinc/84/33/75/1071843375.db2.gz VHVSGUIAMXEPAF-WDYCEAGBSA-N 1 2 441.573 0.912 20 0 ICADLO COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3CN(C)CC[N@H+]3C)CC2)c1 ZINC001565484372 1071843315 /nfs/dbraw/zinc/84/33/15/1071843315.db2.gz VKUVIRZKDISEHB-JXFKEZNVSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3CN(C)CC[N@@H+]3C)CC2)c1 ZINC001565484372 1071843302 /nfs/dbraw/zinc/84/33/02/1071843302.db2.gz VKUVIRZKDISEHB-JXFKEZNVSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3CN(C)CC[N@H+]3C)CC2)c1 ZINC001565484373 1071843736 /nfs/dbraw/zinc/84/37/36/1071843736.db2.gz VKUVIRZKDISEHB-OXJNMPFZSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@@H](C)[C@H]3CN(C)CC[N@@H+]3C)CC2)c1 ZINC001565484373 1071843730 /nfs/dbraw/zinc/84/37/30/1071843730.db2.gz VKUVIRZKDISEHB-OXJNMPFZSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@H](C)[C@H]3CN(C)CC[N@H+]3C)CC2)c1 ZINC001565484374 1071843760 /nfs/dbraw/zinc/84/37/60/1071843760.db2.gz VKUVIRZKDISEHB-OXQOHEQNSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@H](C)[C@H]3CN(C)CC[N@@H+]3C)CC2)c1 ZINC001565484374 1071843754 /nfs/dbraw/zinc/84/37/54/1071843754.db2.gz VKUVIRZKDISEHB-OXQOHEQNSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3CN(C)CC[N@H+]3C)CC2)c1 ZINC001565484375 1071843259 /nfs/dbraw/zinc/84/32/59/1071843259.db2.gz VKUVIRZKDISEHB-UZLBHIALSA-N 1 2 433.553 0.806 20 0 ICADLO COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@H](C)[C@@H]3CN(C)CC[N@@H+]3C)CC2)c1 ZINC001565484375 1071843244 /nfs/dbraw/zinc/84/32/44/1071843244.db2.gz VKUVIRZKDISEHB-UZLBHIALSA-N 1 2 433.553 0.806 20 0 ICADLO Cn1cc(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c(=O)[nH]c1=O ZINC001565493607 1071844957 /nfs/dbraw/zinc/84/49/57/1071844957.db2.gz KCIHZMDKRZXQSO-HNNXBMFYSA-N 1 2 436.513 0.323 20 0 ICADLO Cn1cc(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c(=O)[nH]c1=O ZINC001565493608 1071845049 /nfs/dbraw/zinc/84/50/49/1071845049.db2.gz KCIHZMDKRZXQSO-OAHLLOKOSA-N 1 2 436.513 0.323 20 0 ICADLO CN(C(=O)c1ccc(Cc2nnc[nH]2)cc1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001565595121 1071851435 /nfs/dbraw/zinc/85/14/35/1071851435.db2.gz AZABVBFBRIVFKS-UHFFFAOYSA-N 1 2 439.564 0.706 20 0 ICADLO CN(C(=O)c1cccc(Nc2nn[nH]n2)c1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001565595673 1071851186 /nfs/dbraw/zinc/85/11/86/1071851186.db2.gz VYJSYLSYJSHQPG-UHFFFAOYSA-N 1 2 441.540 0.254 20 0 ICADLO CN(C(=O)c1ccc2n[nH]c(=S)n2c1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001565595684 1071851139 /nfs/dbraw/zinc/85/11/39/1071851139.db2.gz WLBPUHSRDYXHRZ-UHFFFAOYSA-N 1 2 431.566 0.328 20 0 ICADLO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cnc(I)c(O)c2)CC1 ZINC001565595959 1071852067 /nfs/dbraw/zinc/85/20/67/1071852067.db2.gz HLRZJKAMHRRBGL-UHFFFAOYSA-N 1 2 432.262 0.674 20 0 ICADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001565606431 1071852353 /nfs/dbraw/zinc/85/23/53/1071852353.db2.gz YZHYICPIWJGAMT-HNNXBMFYSA-N 1 2 439.563 0.022 20 0 ICADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001565606432 1071852497 /nfs/dbraw/zinc/85/24/97/1071852497.db2.gz YZHYICPIWJGAMT-OAHLLOKOSA-N 1 2 439.563 0.022 20 0 ICADLO COC[C@]1(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001565607112 1071852394 /nfs/dbraw/zinc/85/23/94/1071852394.db2.gz PZLIQCZABSGOJG-NRFANRHFSA-N 1 2 428.574 0.781 20 0 ICADLO COC[C@@]1(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001565607113 1071852594 /nfs/dbraw/zinc/85/25/94/1071852594.db2.gz PZLIQCZABSGOJG-OAQYLSRUSA-N 1 2 428.574 0.781 20 0 ICADLO O=C(C[N@H+]1CCCN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1)N1CCCC1 ZINC001565617149 1071854061 /nfs/dbraw/zinc/85/40/61/1071854061.db2.gz ALOYUPLDPUPKQI-UHFFFAOYSA-N 1 2 428.533 0.929 20 0 ICADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1)N1CCCC1 ZINC001565617149 1071854052 /nfs/dbraw/zinc/85/40/52/1071854052.db2.gz ALOYUPLDPUPKQI-UHFFFAOYSA-N 1 2 428.533 0.929 20 0 ICADLO O=C(C[N@@H+]1CCCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1)N1CCCC1 ZINC001565617200 1071853728 /nfs/dbraw/zinc/85/37/28/1071853728.db2.gz CAJWNSNNPOMLSD-IBGZPJMESA-N 1 2 432.521 0.430 20 0 ICADLO O=C(C[N@H+]1CCCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1)N1CCCC1 ZINC001565617200 1071853714 /nfs/dbraw/zinc/85/37/14/1071853714.db2.gz CAJWNSNNPOMLSD-IBGZPJMESA-N 1 2 432.521 0.430 20 0 ICADLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1)N1CCCC1 ZINC001565617201 1071854021 /nfs/dbraw/zinc/85/40/21/1071854021.db2.gz CAJWNSNNPOMLSD-LJQANCHMSA-N 1 2 432.521 0.430 20 0 ICADLO O=C(C[N@H+]1CCCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1)N1CCCC1 ZINC001565617201 1071854017 /nfs/dbraw/zinc/85/40/17/1071854017.db2.gz CAJWNSNNPOMLSD-LJQANCHMSA-N 1 2 432.521 0.430 20 0 ICADLO NS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1Cl ZINC001565617524 1071853966 /nfs/dbraw/zinc/85/39/66/1071853966.db2.gz NZWPGDRDOVQCGZ-UHFFFAOYSA-N 1 2 428.942 0.758 20 0 ICADLO NS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1Cl ZINC001565617524 1071853960 /nfs/dbraw/zinc/85/39/60/1071853960.db2.gz NZWPGDRDOVQCGZ-UHFFFAOYSA-N 1 2 428.942 0.758 20 0 ICADLO O=C(C[N@@H+]1CCCN(C(=O)c2c[nH]nc2I)CC1)N1CCCC1 ZINC001565617803 1071853883 /nfs/dbraw/zinc/85/38/83/1071853883.db2.gz ZHVTVPMFHKBMFI-UHFFFAOYSA-N 1 2 431.278 0.785 20 0 ICADLO O=C(C[N@H+]1CCCN(C(=O)c2c[nH]nc2I)CC1)N1CCCC1 ZINC001565617803 1071853871 /nfs/dbraw/zinc/85/38/71/1071853871.db2.gz ZHVTVPMFHKBMFI-UHFFFAOYSA-N 1 2 431.278 0.785 20 0 ICADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 ZINC001565626519 1071857430 /nfs/dbraw/zinc/85/74/30/1071857430.db2.gz DGTFYSCIDXKIEH-CYBMUJFWSA-N 1 2 429.489 0.943 20 0 ICADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 ZINC001565626520 1071857371 /nfs/dbraw/zinc/85/73/71/1071857371.db2.gz DGTFYSCIDXKIEH-ZDUSSCGKSA-N 1 2 429.489 0.943 20 0 ICADLO CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001565626566 1071857295 /nfs/dbraw/zinc/85/72/95/1071857295.db2.gz FRNGWNCSWLGPNI-INIZCTEOSA-N 1 2 441.554 0.827 20 0 ICADLO CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001565626567 1071857403 /nfs/dbraw/zinc/85/74/03/1071857403.db2.gz FRNGWNCSWLGPNI-MRXNPFEDSA-N 1 2 441.554 0.827 20 0 ICADLO CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001565626737 1071858070 /nfs/dbraw/zinc/85/80/70/1071858070.db2.gz LNQSOUNJNRMWHA-INIZCTEOSA-N 1 2 435.587 0.930 20 0 ICADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001565626868 1071857827 /nfs/dbraw/zinc/85/78/27/1071857827.db2.gz QAMGLTXKUDGJED-OAHLLOKOSA-N 1 2 449.570 0.458 20 0 ICADLO Cc1c(Cl)c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)sc1S(N)(=O)=O ZINC001565626898 1071857779 /nfs/dbraw/zinc/85/77/79/1071857779.db2.gz RAGLNDAJWODXIV-UHFFFAOYSA-N 1 2 444.000 0.596 20 0 ICADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2(CC(=O)N3CCOCC3)CCCC2)CC1 ZINC001565627006 1071857919 /nfs/dbraw/zinc/85/79/19/1071857919.db2.gz VREOFACYUCFLLU-UHFFFAOYSA-N 1 2 429.583 0.421 20 0 ICADLO CN1C(=O)C[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H]1c1cccc(F)c1 ZINC001565627021 1071858085 /nfs/dbraw/zinc/85/80/85/1071858085.db2.gz WLENOPSYOFRUKO-PKOBYXMFSA-N 1 2 425.526 0.970 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(I)cc1-n1cnnn1 ZINC001565647464 1071861510 /nfs/dbraw/zinc/86/15/10/1071861510.db2.gz YQRJRTCWLKJPLZ-LLVKDONJSA-N 1 2 442.261 0.717 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(I)cc1-n1cnnn1 ZINC001565647464 1071861505 /nfs/dbraw/zinc/86/15/05/1071861505.db2.gz YQRJRTCWLKJPLZ-LLVKDONJSA-N 1 2 442.261 0.717 20 0 ICADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(I)cc1-n1cnnn1 ZINC001565647465 1071861423 /nfs/dbraw/zinc/86/14/23/1071861423.db2.gz YQRJRTCWLKJPLZ-NSHDSACASA-N 1 2 442.261 0.717 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(I)cc1-n1cnnn1 ZINC001565647465 1071861414 /nfs/dbraw/zinc/86/14/14/1071861414.db2.gz YQRJRTCWLKJPLZ-NSHDSACASA-N 1 2 442.261 0.717 20 0 ICADLO CCOCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 ZINC001565649685 1071862133 /nfs/dbraw/zinc/86/21/33/1071862133.db2.gz NTVAGRKRGXNQGR-UHFFFAOYSA-N 1 2 425.551 0.626 20 0 ICADLO NC(=O)C1CCN(c2ncccc2CNC(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC001565654300 1071862732 /nfs/dbraw/zinc/86/27/32/1071862732.db2.gz ZJNGNBJQBADBDL-UHFFFAOYSA-N 1 2 440.548 0.847 20 0 ICADLO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC001565664465 1071863520 /nfs/dbraw/zinc/86/35/20/1071863520.db2.gz HDYJPTWATRVNKZ-CVEARBPZSA-N 1 2 425.551 0.671 20 0 ICADLO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC001565664466 1071863591 /nfs/dbraw/zinc/86/35/91/1071863591.db2.gz HDYJPTWATRVNKZ-HOTGVXAUSA-N 1 2 425.551 0.671 20 0 ICADLO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC001565664467 1071863495 /nfs/dbraw/zinc/86/34/95/1071863495.db2.gz HDYJPTWATRVNKZ-HZPDHXFCSA-N 1 2 425.551 0.671 20 0 ICADLO C[C@H]([C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)[NH+]1CCOCC1 ZINC001565664468 1071863574 /nfs/dbraw/zinc/86/35/74/1071863574.db2.gz HDYJPTWATRVNKZ-JKSUJKDBSA-N 1 2 425.551 0.671 20 0 ICADLO C[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001565834230 1071875562 /nfs/dbraw/zinc/87/55/62/1071875562.db2.gz RKLDIIXYOWOGDJ-GXTWGEPZSA-N 1 2 426.568 0.647 20 0 ICADLO C[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[C@H]1C[N@H+](C)CCN1C ZINC001565834230 1071875555 /nfs/dbraw/zinc/87/55/55/1071875555.db2.gz RKLDIIXYOWOGDJ-GXTWGEPZSA-N 1 2 426.568 0.647 20 0 ICADLO C[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001565834234 1071875845 /nfs/dbraw/zinc/87/58/45/1071875845.db2.gz RKLDIIXYOWOGDJ-JSGCOSHPSA-N 1 2 426.568 0.647 20 0 ICADLO C[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001565834234 1071875835 /nfs/dbraw/zinc/87/58/35/1071875835.db2.gz RKLDIIXYOWOGDJ-JSGCOSHPSA-N 1 2 426.568 0.647 20 0 ICADLO C[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001565834236 1071875295 /nfs/dbraw/zinc/87/52/95/1071875295.db2.gz RKLDIIXYOWOGDJ-OCCSQVGLSA-N 1 2 426.568 0.647 20 0 ICADLO C[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001565834236 1071875283 /nfs/dbraw/zinc/87/52/83/1071875283.db2.gz RKLDIIXYOWOGDJ-OCCSQVGLSA-N 1 2 426.568 0.647 20 0 ICADLO C[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001565834239 1071875706 /nfs/dbraw/zinc/87/57/06/1071875706.db2.gz RKLDIIXYOWOGDJ-TZMCWYRMSA-N 1 2 426.568 0.647 20 0 ICADLO C[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[C@H]1C[N@H+](C)CCN1C ZINC001565834239 1071875700 /nfs/dbraw/zinc/87/57/00/1071875700.db2.gz RKLDIIXYOWOGDJ-TZMCWYRMSA-N 1 2 426.568 0.647 20 0 ICADLO C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001565834390 1071875237 /nfs/dbraw/zinc/87/52/37/1071875237.db2.gz SBASMTCEZIAVNM-BXWFABGCSA-N 1 2 426.558 0.977 20 0 ICADLO C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001565834390 1071875227 /nfs/dbraw/zinc/87/52/27/1071875227.db2.gz SBASMTCEZIAVNM-BXWFABGCSA-N 1 2 426.558 0.977 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001565834391 1071875675 /nfs/dbraw/zinc/87/56/75/1071875675.db2.gz SBASMTCEZIAVNM-FCEWJHQRSA-N 1 2 426.558 0.977 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001565834391 1071875668 /nfs/dbraw/zinc/87/56/68/1071875668.db2.gz SBASMTCEZIAVNM-FCEWJHQRSA-N 1 2 426.558 0.977 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001565834392 1071875778 /nfs/dbraw/zinc/87/57/78/1071875778.db2.gz SBASMTCEZIAVNM-FRQCXROJSA-N 1 2 426.558 0.977 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001565834392 1071875773 /nfs/dbraw/zinc/87/57/73/1071875773.db2.gz SBASMTCEZIAVNM-FRQCXROJSA-N 1 2 426.558 0.977 20 0 ICADLO C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001565834393 1071875474 /nfs/dbraw/zinc/87/54/74/1071875474.db2.gz SBASMTCEZIAVNM-TXPKVOOTSA-N 1 2 426.558 0.977 20 0 ICADLO C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001565834393 1071875471 /nfs/dbraw/zinc/87/54/71/1071875471.db2.gz SBASMTCEZIAVNM-TXPKVOOTSA-N 1 2 426.558 0.977 20 0 ICADLO CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001565883492 1071877159 /nfs/dbraw/zinc/87/71/59/1071877159.db2.gz NJVJCHLQHNWDIQ-BHQCHZOVSA-N 1 2 426.517 0.840 20 0 ICADLO CCNC(=O)NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001565883492 1071877156 /nfs/dbraw/zinc/87/71/56/1071877156.db2.gz NJVJCHLQHNWDIQ-BHQCHZOVSA-N 1 2 426.517 0.840 20 0 ICADLO CCOC(=O)C(=O)N1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC001565944241 1071879198 /nfs/dbraw/zinc/87/91/98/1071879198.db2.gz VQDVLZVBPXTCHS-KRWDZBQOSA-N 1 2 433.509 0.251 20 0 ICADLO CCOC(=O)C(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC001565944241 1071879178 /nfs/dbraw/zinc/87/91/78/1071879178.db2.gz VQDVLZVBPXTCHS-KRWDZBQOSA-N 1 2 433.509 0.251 20 0 ICADLO NS(=O)(=O)CCCCCCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001565952719 1071879518 /nfs/dbraw/zinc/87/95/18/1071879518.db2.gz FNFQMJMBZMYWJP-UHFFFAOYSA-N 1 2 440.570 0.201 20 0 ICADLO NS(=O)(=O)CCCCCCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001565952719 1071879510 /nfs/dbraw/zinc/87/95/10/1071879510.db2.gz FNFQMJMBZMYWJP-UHFFFAOYSA-N 1 2 440.570 0.201 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Br)cn2ccnc12 ZINC001565963158 1071879533 /nfs/dbraw/zinc/87/95/33/1071879533.db2.gz DTSGTPVPTWWWQF-AWEZNQCLSA-N 1 2 436.310 0.760 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Br)cn2ccnc12 ZINC001565963159 1071879256 /nfs/dbraw/zinc/87/92/56/1071879256.db2.gz DTSGTPVPTWWWQF-CQSZACIVSA-N 1 2 436.310 0.760 20 0 ICADLO CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001565963174 1071879438 /nfs/dbraw/zinc/87/94/38/1071879438.db2.gz FLCCSBFWPYECEX-BQFCYCMXSA-N 1 2 442.532 0.631 20 0 ICADLO CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001565963175 1071879349 /nfs/dbraw/zinc/87/93/49/1071879349.db2.gz FLCCSBFWPYECEX-JZXOWHBKSA-N 1 2 442.532 0.631 20 0 ICADLO CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001565963176 1071879401 /nfs/dbraw/zinc/87/94/01/1071879401.db2.gz FLCCSBFWPYECEX-LZLYRXPVSA-N 1 2 442.532 0.631 20 0 ICADLO CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001565963177 1071879566 /nfs/dbraw/zinc/87/95/66/1071879566.db2.gz FLCCSBFWPYECEX-XYJFISCASA-N 1 2 442.532 0.631 20 0 ICADLO O=C(CCc1ccccc1N1CCOCC1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001565963196 1071879290 /nfs/dbraw/zinc/87/92/90/1071879290.db2.gz GAKPRTOUWWQRND-FQEVSTJZSA-N 1 2 430.549 0.505 20 0 ICADLO O=C(CCc1ccccc1N1CCOCC1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001565963197 1071879455 /nfs/dbraw/zinc/87/94/55/1071879455.db2.gz GAKPRTOUWWQRND-HXUWFJFHSA-N 1 2 430.549 0.505 20 0 ICADLO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001565963328 1071880198 /nfs/dbraw/zinc/88/01/98/1071880198.db2.gz KWRYESVXEGKKCT-CVEARBPZSA-N 1 2 444.598 0.682 20 0 ICADLO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001565963329 1071880129 /nfs/dbraw/zinc/88/01/29/1071880129.db2.gz KWRYESVXEGKKCT-HOTGVXAUSA-N 1 2 444.598 0.682 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn2cccc(Br)c12 ZINC001565963425 1071879950 /nfs/dbraw/zinc/87/99/50/1071879950.db2.gz NZVCQGJPZUMAND-CYBMUJFWSA-N 1 2 436.310 0.760 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn2cccc(Br)c12 ZINC001565963426 1071880145 /nfs/dbraw/zinc/88/01/45/1071880145.db2.gz NZVCQGJPZUMAND-ZDUSSCGKSA-N 1 2 436.310 0.760 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001565963559 1071880215 /nfs/dbraw/zinc/88/02/15/1071880215.db2.gz SBIOAWWSHKBOIF-FQEVSTJZSA-N 1 2 426.521 0.658 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001565963560 1071880089 /nfs/dbraw/zinc/88/00/89/1071880089.db2.gz SBIOAWWSHKBOIF-HXUWFJFHSA-N 1 2 426.521 0.658 20 0 ICADLO O=C(NC1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)OCc1ccccc1 ZINC001565963582 1071880283 /nfs/dbraw/zinc/88/02/83/1071880283.db2.gz SOYROOHHQAAKNG-GOSISDBHSA-N 1 2 430.505 0.495 20 0 ICADLO O=C(NC1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)OCc1ccccc1 ZINC001565963583 1071879978 /nfs/dbraw/zinc/87/99/78/1071879978.db2.gz SOYROOHHQAAKNG-SFHVURJKSA-N 1 2 430.505 0.495 20 0 ICADLO COc1ccc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC(F)F ZINC001565963605 1071880296 /nfs/dbraw/zinc/88/02/96/1071880296.db2.gz TXGQJVLYGCRQQZ-HNNXBMFYSA-N 1 2 427.448 0.888 20 0 ICADLO COc1ccc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC(F)F ZINC001565963606 1071880231 /nfs/dbraw/zinc/88/02/31/1071880231.db2.gz TXGQJVLYGCRQQZ-OAHLLOKOSA-N 1 2 427.448 0.888 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001565963641 1071880164 /nfs/dbraw/zinc/88/01/64/1071880164.db2.gz VBIDPDZRTGRODB-HOIFWPIMSA-N 1 2 436.553 0.683 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001565963642 1071880037 /nfs/dbraw/zinc/88/00/37/1071880037.db2.gz VBIDPDZRTGRODB-JKSBSHDWSA-N 1 2 436.553 0.683 20 0 ICADLO C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2N1 ZINC001565963705 1071880320 /nfs/dbraw/zinc/88/03/20/1071880320.db2.gz WWKKWAVWDZWGPW-UMVBOHGHSA-N 1 2 426.468 0.556 20 0 ICADLO C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2N1 ZINC001565963706 1071880979 /nfs/dbraw/zinc/88/09/79/1071880979.db2.gz WWKKWAVWDZWGPW-VNHYZAJKSA-N 1 2 426.468 0.556 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Br)cn2ncnc12 ZINC001565963716 1071880942 /nfs/dbraw/zinc/88/09/42/1071880942.db2.gz XDMXXVCCGVXNBE-CYBMUJFWSA-N 1 2 437.298 0.155 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Br)cn2ncnc12 ZINC001565963717 1071880867 /nfs/dbraw/zinc/88/08/67/1071880867.db2.gz XDMXXVCCGVXNBE-ZDUSSCGKSA-N 1 2 437.298 0.155 20 0 ICADLO CC(C)(C)OC(=O)N1CCC(F)(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001565963767 1071880844 /nfs/dbraw/zinc/88/08/44/1071880844.db2.gz YLKWFJJJHQLBSQ-INIZCTEOSA-N 1 2 442.532 0.775 20 0 ICADLO CC(C)(C)OC(=O)N1CCC(F)(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001565963768 1071880999 /nfs/dbraw/zinc/88/09/99/1071880999.db2.gz YLKWFJJJHQLBSQ-MRXNPFEDSA-N 1 2 442.532 0.775 20 0 ICADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC001565973374 1071882267 /nfs/dbraw/zinc/88/22/67/1071882267.db2.gz SZYIQGQNCWUGCF-UHFFFAOYSA-N 1 2 433.534 0.136 20 0 ICADLO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCCCNc2cccc[nH+]2)c1 ZINC001565985768 1071882983 /nfs/dbraw/zinc/88/29/83/1071882983.db2.gz LQOUTHYQLCGOLZ-UHFFFAOYSA-N 1 2 426.520 0.382 20 0 ICADLO COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001565988741 1071883111 /nfs/dbraw/zinc/88/31/11/1071883111.db2.gz MGCKNQHSMSXTRI-IBGZPJMESA-N 1 2 430.509 0.754 20 0 ICADLO COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001565988742 1071883022 /nfs/dbraw/zinc/88/30/22/1071883022.db2.gz MGCKNQHSMSXTRI-LJQANCHMSA-N 1 2 430.509 0.754 20 0 ICADLO CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)CC2=O)cc1 ZINC001565989114 1071883156 /nfs/dbraw/zinc/88/31/56/1071883156.db2.gz YEEDOJUJURFFCU-KRWDZBQOSA-N 1 2 425.493 0.434 20 0 ICADLO CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)CC2=O)cc1 ZINC001565989115 1071882997 /nfs/dbraw/zinc/88/29/97/1071882997.db2.gz YEEDOJUJURFFCU-QGZVFWFLSA-N 1 2 425.493 0.434 20 0 ICADLO O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[NH+](CCn2cncn2)CC1 ZINC001565990080 1071882968 /nfs/dbraw/zinc/88/29/68/1071882968.db2.gz BAZYRGYLMCELFY-INIZCTEOSA-N 1 2 434.294 0.967 20 0 ICADLO O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N1CC[NH+](CCn2cncn2)CC1 ZINC001565990088 1071883285 /nfs/dbraw/zinc/88/32/85/1071883285.db2.gz BAZYRGYLMCELFY-MRXNPFEDSA-N 1 2 434.294 0.967 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001566044218 1071885134 /nfs/dbraw/zinc/88/51/34/1071885134.db2.gz QFFCXYFDWXYNPV-UHFFFAOYSA-N 1 2 441.554 0.781 20 0 ICADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001566060299 1071886602 /nfs/dbraw/zinc/88/66/02/1071886602.db2.gz TUDBOLWKHRZZKN-UHFFFAOYSA-N 1 2 428.493 0.598 20 0 ICADLO CS(=O)(=O)N1CC(C(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C1 ZINC001566191322 1071891884 /nfs/dbraw/zinc/89/18/84/1071891884.db2.gz WEIOOGNJLGIHNP-UHFFFAOYSA-N 1 2 439.563 0.766 20 0 ICADLO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC001566224474 1071894581 /nfs/dbraw/zinc/89/45/81/1071894581.db2.gz NVSROSSARYEDEO-UHFFFAOYSA-N 1 2 425.898 0.847 20 0 ICADLO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC001566224474 1071894571 /nfs/dbraw/zinc/89/45/71/1071894571.db2.gz NVSROSSARYEDEO-UHFFFAOYSA-N 1 2 425.898 0.847 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001566234928 1071894695 /nfs/dbraw/zinc/89/46/95/1071894695.db2.gz GODLHGVOFFQUAK-GDBMZVCRSA-N 1 2 427.295 0.682 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001566234929 1071895177 /nfs/dbraw/zinc/89/51/77/1071895177.db2.gz GODLHGVOFFQUAK-GOEBONIOSA-N 1 2 427.295 0.682 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001566234930 1071895234 /nfs/dbraw/zinc/89/52/34/1071895234.db2.gz GODLHGVOFFQUAK-HOCLYGCPSA-N 1 2 427.295 0.682 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001566234931 1071895074 /nfs/dbraw/zinc/89/50/74/1071895074.db2.gz GODLHGVOFFQUAK-ZBFHGGJFSA-N 1 2 427.295 0.682 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001566235065 1071895206 /nfs/dbraw/zinc/89/52/06/1071895206.db2.gz JNDBVVULNDPTRQ-FOIQADDNSA-N 1 2 426.514 0.294 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001566235066 1071895274 /nfs/dbraw/zinc/89/52/74/1071895274.db2.gz JNDBVVULNDPTRQ-MGPUTAFESA-N 1 2 426.514 0.294 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001566235067 1071895154 /nfs/dbraw/zinc/89/51/54/1071895154.db2.gz JNDBVVULNDPTRQ-QRWLVFNGSA-N 1 2 426.514 0.294 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001566235068 1071895261 /nfs/dbraw/zinc/89/52/61/1071895261.db2.gz JNDBVVULNDPTRQ-YWZLYKJASA-N 1 2 426.514 0.294 20 0 ICADLO C[N@H+]1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001566274755 1071898787 /nfs/dbraw/zinc/89/87/87/1071898787.db2.gz UIBVBNRZGMGOEF-HNNXBMFYSA-N 1 2 430.571 0.612 20 0 ICADLO C[N@@H+]1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001566274755 1071898764 /nfs/dbraw/zinc/89/87/64/1071898764.db2.gz UIBVBNRZGMGOEF-HNNXBMFYSA-N 1 2 430.571 0.612 20 0 ICADLO C[N@H+]1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001566274756 1071898661 /nfs/dbraw/zinc/89/86/61/1071898661.db2.gz UIBVBNRZGMGOEF-OAHLLOKOSA-N 1 2 430.571 0.612 20 0 ICADLO C[N@@H+]1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001566274756 1071898656 /nfs/dbraw/zinc/89/86/56/1071898656.db2.gz UIBVBNRZGMGOEF-OAHLLOKOSA-N 1 2 430.571 0.612 20 0 ICADLO C[N@H+]1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001566274940 1071898641 /nfs/dbraw/zinc/89/86/41/1071898641.db2.gz ZGDJDFFPTXLTCU-IAOVAPTHSA-N 1 2 433.509 0.625 20 0 ICADLO C[N@@H+]1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001566274940 1071898629 /nfs/dbraw/zinc/89/86/29/1071898629.db2.gz ZGDJDFFPTXLTCU-IAOVAPTHSA-N 1 2 433.509 0.625 20 0 ICADLO C[N@H+]1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001566274941 1071898391 /nfs/dbraw/zinc/89/83/91/1071898391.db2.gz ZGDJDFFPTXLTCU-KBRIMQKVSA-N 1 2 433.509 0.625 20 0 ICADLO C[N@@H+]1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001566274941 1071898381 /nfs/dbraw/zinc/89/83/81/1071898381.db2.gz ZGDJDFFPTXLTCU-KBRIMQKVSA-N 1 2 433.509 0.625 20 0 ICADLO C[N@H+]1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001566274942 1071898514 /nfs/dbraw/zinc/89/85/14/1071898514.db2.gz ZGDJDFFPTXLTCU-RRQGHBQHSA-N 1 2 433.509 0.625 20 0 ICADLO C[N@@H+]1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001566274942 1071898496 /nfs/dbraw/zinc/89/84/96/1071898496.db2.gz ZGDJDFFPTXLTCU-RRQGHBQHSA-N 1 2 433.509 0.625 20 0 ICADLO C[N@H+]1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001566274943 1071899155 /nfs/dbraw/zinc/89/91/55/1071899155.db2.gz ZGDJDFFPTXLTCU-XOKHGSTOSA-N 1 2 433.509 0.625 20 0 ICADLO C[N@@H+]1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001566274943 1071899144 /nfs/dbraw/zinc/89/91/44/1071899144.db2.gz ZGDJDFFPTXLTCU-XOKHGSTOSA-N 1 2 433.509 0.625 20 0 ICADLO Cc1[nH]nc(I)c1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001566307733 1071900878 /nfs/dbraw/zinc/90/08/78/1071900878.db2.gz AHGSMKNICJKXRR-GFCCVEGCSA-N 1 2 434.278 0.886 20 0 ICADLO Cc1[nH]nc(I)c1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001566307734 1071900916 /nfs/dbraw/zinc/90/09/16/1071900916.db2.gz AHGSMKNICJKXRR-LBPRGKRZSA-N 1 2 434.278 0.886 20 0 ICADLO Cn1nc(I)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001566307810 1071900907 /nfs/dbraw/zinc/90/09/07/1071900907.db2.gz CEEOYNAGIZSWBW-GFCCVEGCSA-N 1 2 434.278 0.588 20 0 ICADLO Cn1nc(I)cc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001566307811 1071900974 /nfs/dbraw/zinc/90/09/74/1071900974.db2.gz CEEOYNAGIZSWBW-LBPRGKRZSA-N 1 2 434.278 0.588 20 0 ICADLO O=C(Cc1ccccc1F)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001566308087 1071901541 /nfs/dbraw/zinc/90/15/41/1071901541.db2.gz KIVSGTNLPAHANK-DYXWJJEUSA-N 1 2 449.523 0.280 20 0 ICADLO O=C(Cc1ccccc1F)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001566308088 1071901399 /nfs/dbraw/zinc/90/13/99/1071901399.db2.gz KIVSGTNLPAHANK-SBHAEUEKSA-N 1 2 449.523 0.280 20 0 ICADLO O=C(Cc1ccccc1F)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001566308089 1071901498 /nfs/dbraw/zinc/90/14/98/1071901498.db2.gz KIVSGTNLPAHANK-ZJOUEHCJSA-N 1 2 449.523 0.280 20 0 ICADLO O=C(Cc1ccccc1F)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001566308090 1071901479 /nfs/dbraw/zinc/90/14/79/1071901479.db2.gz KIVSGTNLPAHANK-ZVDOUQERSA-N 1 2 449.523 0.280 20 0 ICADLO O=C(c1c(Br)nc2n1CCOC2)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001566308124 1071901376 /nfs/dbraw/zinc/90/13/76/1071901376.db2.gz LLOUFVOLZUAYDU-CYBMUJFWSA-N 1 2 429.315 0.739 20 0 ICADLO O=C(c1c(Br)nc2n1CCOC2)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001566308125 1071901486 /nfs/dbraw/zinc/90/14/86/1071901486.db2.gz LLOUFVOLZUAYDU-ZDUSSCGKSA-N 1 2 429.315 0.739 20 0 ICADLO CN(C)c1ncc(Br)c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)n1 ZINC001566308535 1071901413 /nfs/dbraw/zinc/90/14/13/1071901413.db2.gz XLTLGSANWKIDES-CYBMUJFWSA-N 1 2 428.331 0.868 20 0 ICADLO CN(C)c1ncc(Br)c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)n1 ZINC001566308536 1071901467 /nfs/dbraw/zinc/90/14/67/1071901467.db2.gz XLTLGSANWKIDES-ZDUSSCGKSA-N 1 2 428.331 0.868 20 0 ICADLO CC[NH+](CC)CCN(C(=O)c1ccc(NS(C)(=O)=O)nc1)[C@H]1CCS(=O)(=O)C1 ZINC001566481221 1071909178 /nfs/dbraw/zinc/90/91/78/1071909178.db2.gz VFIYXLDWGABHRV-HNNXBMFYSA-N 1 2 432.568 0.424 20 0 ICADLO CC[NH+](CC)CCN(C(=O)c1ccc(NS(C)(=O)=O)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC001566481222 1071909232 /nfs/dbraw/zinc/90/92/32/1071909232.db2.gz VFIYXLDWGABHRV-OAHLLOKOSA-N 1 2 432.568 0.424 20 0 ICADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1 ZINC001566709949 1071913566 /nfs/dbraw/zinc/91/35/66/1071913566.db2.gz GGBWJUVZYDNVGD-GUYCJALGSA-N 1 2 425.507 0.258 20 0 ICADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1 ZINC001566709950 1071913538 /nfs/dbraw/zinc/91/35/38/1071913538.db2.gz GGBWJUVZYDNVGD-SUMWQHHRSA-N 1 2 425.507 0.258 20 0 ICADLO O=C(CCNS(=O)(=O)c1ccccc1Cl)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001566709968 1071913557 /nfs/dbraw/zinc/91/35/57/1071913557.db2.gz GWACPPFGNVSGBS-HNNXBMFYSA-N 1 2 429.926 0.905 20 0 ICADLO O=C(CCNS(=O)(=O)c1ccccc1Cl)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001566709969 1071913626 /nfs/dbraw/zinc/91/36/26/1071913626.db2.gz GWACPPFGNVSGBS-OAHLLOKOSA-N 1 2 429.926 0.905 20 0 ICADLO COc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc(Cl)c1OCC(N)=O ZINC001566710627 1071913590 /nfs/dbraw/zinc/91/35/90/1071913590.db2.gz RBRGPQLEETVGJW-AWEZNQCLSA-N 1 2 425.869 0.722 20 0 ICADLO COc1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc(Cl)c1OCC(N)=O ZINC001566710633 1071913606 /nfs/dbraw/zinc/91/36/06/1071913606.db2.gz RBRGPQLEETVGJW-CQSZACIVSA-N 1 2 425.869 0.722 20 0 ICADLO COc1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1S(=O)(=O)N(C)C ZINC001566711161 1071913644 /nfs/dbraw/zinc/91/36/44/1071913644.db2.gz WPRXZYOGHZPJON-HNNXBMFYSA-N 1 2 425.507 0.455 20 0 ICADLO COc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1S(=O)(=O)N(C)C ZINC001566711162 1071913686 /nfs/dbraw/zinc/91/36/86/1071913686.db2.gz WPRXZYOGHZPJON-OAHLLOKOSA-N 1 2 425.507 0.455 20 0 ICADLO O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001566711247 1071913667 /nfs/dbraw/zinc/91/36/67/1071913667.db2.gz YKJTVJDVRIOEND-IBGZPJMESA-N 1 2 435.546 0.956 20 0 ICADLO O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001566711248 1071913520 /nfs/dbraw/zinc/91/35/20/1071913520.db2.gz YKJTVJDVRIOEND-LJQANCHMSA-N 1 2 435.546 0.956 20 0 ICADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC001566711367 1071913577 /nfs/dbraw/zinc/91/35/77/1071913577.db2.gz ZCYGEDWMGRNHMK-KRWDZBQOSA-N 1 2 437.518 0.217 20 0 ICADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC001566711368 1071914102 /nfs/dbraw/zinc/91/41/02/1071914102.db2.gz ZCYGEDWMGRNHMK-QGZVFWFLSA-N 1 2 437.518 0.217 20 0 ICADLO COc1ccc(N2C[C@@H](C(=O)NC3CC[NH+]([C@@H]4CCOC4=O)CC3)CC2=O)c(OC)c1 ZINC001566711397 1071914229 /nfs/dbraw/zinc/91/42/29/1071914229.db2.gz ZOPVNRDYGGEFTI-KBXCAEBGSA-N 1 2 431.489 0.953 20 0 ICADLO COc1ccc(N2C[C@H](C(=O)NC3CC[NH+]([C@H]4CCOC4=O)CC3)CC2=O)c(OC)c1 ZINC001566711398 1071914054 /nfs/dbraw/zinc/91/40/54/1071914054.db2.gz ZOPVNRDYGGEFTI-KDOFPFPSSA-N 1 2 431.489 0.953 20 0 ICADLO COc1ccc(N2C[C@@H](C(=O)NC3CC[NH+]([C@H]4CCOC4=O)CC3)CC2=O)c(OC)c1 ZINC001566711399 1071914209 /nfs/dbraw/zinc/91/42/09/1071914209.db2.gz ZOPVNRDYGGEFTI-KSSFIOAISA-N 1 2 431.489 0.953 20 0 ICADLO COc1ccc(N2C[C@H](C(=O)NC3CC[NH+]([C@@H]4CCOC4=O)CC3)CC2=O)c(OC)c1 ZINC001566711400 1071914065 /nfs/dbraw/zinc/91/40/65/1071914065.db2.gz ZOPVNRDYGGEFTI-RDTXWAMCSA-N 1 2 431.489 0.953 20 0 ICADLO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NC3CC[NH+]([C@H]4CCOC4=O)CC3)cc12 ZINC001566715303 1071914151 /nfs/dbraw/zinc/91/41/51/1071914151.db2.gz VKYRYRPESWMAHA-DOMZBBRYSA-N 1 2 433.534 0.958 20 0 ICADLO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NC3CC[NH+]([C@@H]4CCOC4=O)CC3)cc12 ZINC001566715308 1071914122 /nfs/dbraw/zinc/91/41/22/1071914122.db2.gz VKYRYRPESWMAHA-IUODEOHRSA-N 1 2 433.534 0.958 20 0 ICADLO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NC3CC[NH+]([C@@H]4CCOC4=O)CC3)cc12 ZINC001566715309 1071914140 /nfs/dbraw/zinc/91/41/40/1071914140.db2.gz VKYRYRPESWMAHA-SWLSCSKDSA-N 1 2 433.534 0.958 20 0 ICADLO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NC3CC[NH+]([C@H]4CCOC4=O)CC3)cc12 ZINC001566715310 1071914184 /nfs/dbraw/zinc/91/41/84/1071914184.db2.gz VKYRYRPESWMAHA-WFASDCNBSA-N 1 2 433.534 0.958 20 0 ICADLO O=C(c1cccn1CC[NH+]1CCOCC1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001566773123 1071915644 /nfs/dbraw/zinc/91/56/44/1071915644.db2.gz ZAJGRDFFBCVVOE-GOSISDBHSA-N 1 2 440.566 0.087 20 0 ICADLO O=C(c1cccn1CC[NH+]1CCOCC1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001566773124 1071915676 /nfs/dbraw/zinc/91/56/76/1071915676.db2.gz ZAJGRDFFBCVVOE-SFHVURJKSA-N 1 2 440.566 0.087 20 0 ICADLO CN1C[C@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)C(=O)N1 ZINC001566867364 1071916693 /nfs/dbraw/zinc/91/66/93/1071916693.db2.gz NYKCUSAILDELDC-ROUUACIJSA-N 1 2 442.520 0.829 20 0 ICADLO CN1C[C@@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)C(=O)N1 ZINC001566867365 1071916622 /nfs/dbraw/zinc/91/66/22/1071916622.db2.gz NYKCUSAILDELDC-ZWKOTPCHSA-N 1 2 442.520 0.829 20 0 ICADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1C ZINC001566977374 1071918784 /nfs/dbraw/zinc/91/87/84/1071918784.db2.gz HQCNKMYSTPJQLH-INIZCTEOSA-N 1 2 439.534 0.417 20 0 ICADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1C ZINC001566977374 1071918781 /nfs/dbraw/zinc/91/87/81/1071918781.db2.gz HQCNKMYSTPJQLH-INIZCTEOSA-N 1 2 439.534 0.417 20 0 ICADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@H]1C ZINC001566977375 1071918712 /nfs/dbraw/zinc/91/87/12/1071918712.db2.gz HQCNKMYSTPJQLH-MRXNPFEDSA-N 1 2 439.534 0.417 20 0 ICADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@H]1C ZINC001566977375 1071918706 /nfs/dbraw/zinc/91/87/06/1071918706.db2.gz HQCNKMYSTPJQLH-MRXNPFEDSA-N 1 2 439.534 0.417 20 0 ICADLO CC(C)(CO)[NH+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 ZINC001567081254 1071920951 /nfs/dbraw/zinc/92/09/51/1071920951.db2.gz ISTGLZAAGKZWNM-UHFFFAOYSA-N 1 2 445.607 0.670 20 0 ICADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC ZINC001567242373 1071922995 /nfs/dbraw/zinc/92/29/95/1071922995.db2.gz AKUVMRKIAKPIGT-DLBZAZTESA-N 1 2 430.461 0.932 20 0 ICADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC ZINC001567242373 1071922994 /nfs/dbraw/zinc/92/29/94/1071922994.db2.gz AKUVMRKIAKPIGT-DLBZAZTESA-N 1 2 430.461 0.932 20 0 ICADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC ZINC001567242374 1071922947 /nfs/dbraw/zinc/92/29/47/1071922947.db2.gz AKUVMRKIAKPIGT-IRXDYDNUSA-N 1 2 430.461 0.932 20 0 ICADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC ZINC001567242374 1071922945 /nfs/dbraw/zinc/92/29/45/1071922945.db2.gz AKUVMRKIAKPIGT-IRXDYDNUSA-N 1 2 430.461 0.932 20 0 ICADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC001567242430 1071923391 /nfs/dbraw/zinc/92/33/91/1071923391.db2.gz DDRGIMVOFAJPNM-AWEZNQCLSA-N 1 2 444.307 0.988 20 0 ICADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC001567242430 1071923387 /nfs/dbraw/zinc/92/33/87/1071923387.db2.gz DDRGIMVOFAJPNM-AWEZNQCLSA-N 1 2 444.307 0.988 20 0 ICADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC001567242558 1071923499 /nfs/dbraw/zinc/92/34/99/1071923499.db2.gz INWXAIMHSQEESF-AWEZNQCLSA-N 1 2 425.463 0.491 20 0 ICADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC001567242558 1071923496 /nfs/dbraw/zinc/92/34/96/1071923496.db2.gz INWXAIMHSQEESF-AWEZNQCLSA-N 1 2 425.463 0.491 20 0 ICADLO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)c1 ZINC001567242869 1071923443 /nfs/dbraw/zinc/92/34/43/1071923443.db2.gz PXGBWLICLDOYPW-HNNXBMFYSA-N 1 2 444.897 0.502 20 0 ICADLO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)c1 ZINC001567242869 1071923440 /nfs/dbraw/zinc/92/34/40/1071923440.db2.gz PXGBWLICLDOYPW-HNNXBMFYSA-N 1 2 444.897 0.502 20 0 ICADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C ZINC001567243336 1071923366 /nfs/dbraw/zinc/92/33/66/1071923366.db2.gz YAMBHKXKNBATGQ-FYGCWZCISA-N 1 2 442.394 0.596 20 0 ICADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C ZINC001567243336 1071923361 /nfs/dbraw/zinc/92/33/61/1071923361.db2.gz YAMBHKXKNBATGQ-FYGCWZCISA-N 1 2 442.394 0.596 20 0 ICADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C ZINC001567243337 1071923545 /nfs/dbraw/zinc/92/35/45/1071923545.db2.gz YAMBHKXKNBATGQ-LPUQOGTASA-N 1 2 442.394 0.596 20 0 ICADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C ZINC001567243337 1071923544 /nfs/dbraw/zinc/92/35/44/1071923544.db2.gz YAMBHKXKNBATGQ-LPUQOGTASA-N 1 2 442.394 0.596 20 0 ICADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C ZINC001567243338 1071923478 /nfs/dbraw/zinc/92/34/78/1071923478.db2.gz YAMBHKXKNBATGQ-RGCYKPLRSA-N 1 2 442.394 0.596 20 0 ICADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C ZINC001567243338 1071923472 /nfs/dbraw/zinc/92/34/72/1071923472.db2.gz YAMBHKXKNBATGQ-RGCYKPLRSA-N 1 2 442.394 0.596 20 0 ICADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C ZINC001567243339 1071923574 /nfs/dbraw/zinc/92/35/74/1071923574.db2.gz YAMBHKXKNBATGQ-YTLQFRNZSA-N 1 2 442.394 0.596 20 0 ICADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C ZINC001567243339 1071923571 /nfs/dbraw/zinc/92/35/71/1071923571.db2.gz YAMBHKXKNBATGQ-YTLQFRNZSA-N 1 2 442.394 0.596 20 0 ICADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC001567268335 1071924002 /nfs/dbraw/zinc/92/40/02/1071924002.db2.gz YREMTBVQVZNZEK-CYBMUJFWSA-N 1 2 426.520 0.118 20 0 ICADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC001567268336 1071924037 /nfs/dbraw/zinc/92/40/37/1071924037.db2.gz YREMTBVQVZNZEK-ZDUSSCGKSA-N 1 2 426.520 0.118 20 0 ICADLO Cc1nc(N2CCN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC001567422737 1071926620 /nfs/dbraw/zinc/92/66/20/1071926620.db2.gz NLCSMSNIEWCMSV-INIZCTEOSA-N 1 2 439.925 0.426 20 0 ICADLO Cc1nc(N2CCN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC001567422738 1071926675 /nfs/dbraw/zinc/92/66/75/1071926675.db2.gz NLCSMSNIEWCMSV-MRXNPFEDSA-N 1 2 439.925 0.426 20 0 ICADLO C/C(=C\C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C[NH+]1CCOCC1 ZINC001567497688 1071927782 /nfs/dbraw/zinc/92/77/82/1071927782.db2.gz HWBHATIZODHUAK-PHKMIBKXSA-N 1 2 444.580 0.647 20 0 ICADLO C/C(=C\C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C[NH+]1CCOCC1 ZINC001567497689 1071927750 /nfs/dbraw/zinc/92/77/50/1071927750.db2.gz HWBHATIZODHUAK-POLXVDLBSA-N 1 2 444.580 0.647 20 0 ICADLO C/C(=C/C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C[NH+]1CCOCC1 ZINC001567497690 1071928333 /nfs/dbraw/zinc/92/83/33/1071928333.db2.gz HWBHATIZODHUAK-PUWPPSGDSA-N 1 2 444.580 0.647 20 0 ICADLO C/C(=C/C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C[NH+]1CCOCC1 ZINC001567497691 1071928265 /nfs/dbraw/zinc/92/82/65/1071928265.db2.gz HWBHATIZODHUAK-XLEPWJDSSA-N 1 2 444.580 0.647 20 0 ICADLO CC1(C)CN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC[N@H+]1CCO ZINC001567666857 1071932245 /nfs/dbraw/zinc/93/22/45/1071932245.db2.gz HDVGDMWRXOYDBD-UHFFFAOYSA-N 1 2 431.580 0.422 20 0 ICADLO CC1(C)CN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC[N@@H+]1CCO ZINC001567666857 1071932243 /nfs/dbraw/zinc/93/22/43/1071932243.db2.gz HDVGDMWRXOYDBD-UHFFFAOYSA-N 1 2 431.580 0.422 20 0 ICADLO COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001567823420 1071935582 /nfs/dbraw/zinc/93/55/82/1071935582.db2.gz BUTWGCIQDQODAK-GDBMZVCRSA-N 1 2 434.518 0.556 20 0 ICADLO COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001567823421 1071935672 /nfs/dbraw/zinc/93/56/72/1071935672.db2.gz BUTWGCIQDQODAK-GOEBONIOSA-N 1 2 434.518 0.556 20 0 ICADLO COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001567823422 1071935631 /nfs/dbraw/zinc/93/56/31/1071935631.db2.gz BUTWGCIQDQODAK-HOCLYGCPSA-N 1 2 434.518 0.556 20 0 ICADLO COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001567823423 1071935530 /nfs/dbraw/zinc/93/55/30/1071935530.db2.gz BUTWGCIQDQODAK-ZBFHGGJFSA-N 1 2 434.518 0.556 20 0 ICADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 ZINC001567848249 1071936090 /nfs/dbraw/zinc/93/60/90/1071936090.db2.gz JEOVLDSNFMHMKD-VIFPVBQESA-N 1 2 440.747 0.889 20 0 ICADLO C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC[N@H+]1CCO ZINC001567883808 1071937115 /nfs/dbraw/zinc/93/71/15/1071937115.db2.gz MXNKIGRWUFBOLY-SECBINFHSA-N 1 2 440.747 0.889 20 0 ICADLO C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC[N@@H+]1CCO ZINC001567883808 1071937103 /nfs/dbraw/zinc/93/71/03/1071937103.db2.gz MXNKIGRWUFBOLY-SECBINFHSA-N 1 2 440.747 0.889 20 0 ICADLO C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC[N@H+]1CCO ZINC001567883809 1071937177 /nfs/dbraw/zinc/93/71/77/1071937177.db2.gz MXNKIGRWUFBOLY-VIFPVBQESA-N 1 2 440.747 0.889 20 0 ICADLO C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC[N@@H+]1CCO ZINC001567883809 1071937174 /nfs/dbraw/zinc/93/71/74/1071937174.db2.gz MXNKIGRWUFBOLY-VIFPVBQESA-N 1 2 440.747 0.889 20 0 ICADLO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001567950080 1071938687 /nfs/dbraw/zinc/93/86/87/1071938687.db2.gz SALGZCBGXIVMIN-NJAFHUGGSA-N 1 2 439.582 0.851 20 0 ICADLO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001567950080 1071938683 /nfs/dbraw/zinc/93/86/83/1071938683.db2.gz SALGZCBGXIVMIN-NJAFHUGGSA-N 1 2 439.582 0.851 20 0 ICADLO CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001567950081 1071938613 /nfs/dbraw/zinc/93/86/13/1071938613.db2.gz SALGZCBGXIVMIN-NXHRZFHOSA-N 1 2 439.582 0.851 20 0 ICADLO CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001567950081 1071938603 /nfs/dbraw/zinc/93/86/03/1071938603.db2.gz SALGZCBGXIVMIN-NXHRZFHOSA-N 1 2 439.582 0.851 20 0 ICADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1nc(Br)c(Br)n1 ZINC001568468053 1071949228 /nfs/dbraw/zinc/94/92/28/1071949228.db2.gz HQAUBWJXIWPDOP-SECBINFHSA-N 1 2 425.125 0.982 20 0 ICADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1nc(Br)c(Br)n1 ZINC001568468054 1071949242 /nfs/dbraw/zinc/94/92/42/1071949242.db2.gz HQAUBWJXIWPDOP-VIFPVBQESA-N 1 2 425.125 0.982 20 0 ICADLO Cn1ccc(=O)n(CCCNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)c1=O ZINC001568553954 1071950657 /nfs/dbraw/zinc/95/06/57/1071950657.db2.gz DRVKJYPXAUAFIQ-KRWDZBQOSA-N 1 2 430.509 0.084 20 0 ICADLO Cn1ccc(=O)n(CCCNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)c1=O ZINC001568553954 1071950651 /nfs/dbraw/zinc/95/06/51/1071950651.db2.gz DRVKJYPXAUAFIQ-KRWDZBQOSA-N 1 2 430.509 0.084 20 0 ICADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cn1 ZINC001568692417 1071953265 /nfs/dbraw/zinc/95/32/65/1071953265.db2.gz BHDWGJIWIOEIDB-KBPBESRZSA-N 1 2 425.536 0.564 20 0 ICADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cn1 ZINC001568692417 1071953262 /nfs/dbraw/zinc/95/32/62/1071953262.db2.gz BHDWGJIWIOEIDB-KBPBESRZSA-N 1 2 425.536 0.564 20 0 ICADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cn1 ZINC001568692418 1071953376 /nfs/dbraw/zinc/95/33/76/1071953376.db2.gz BHDWGJIWIOEIDB-KGLIPLIRSA-N 1 2 425.536 0.564 20 0 ICADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cn1 ZINC001568692418 1071953375 /nfs/dbraw/zinc/95/33/75/1071953375.db2.gz BHDWGJIWIOEIDB-KGLIPLIRSA-N 1 2 425.536 0.564 20 0 ICADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cn1 ZINC001568692419 1071953311 /nfs/dbraw/zinc/95/33/11/1071953311.db2.gz BHDWGJIWIOEIDB-UONOGXRCSA-N 1 2 425.536 0.564 20 0 ICADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cn1 ZINC001568692419 1071953307 /nfs/dbraw/zinc/95/33/07/1071953307.db2.gz BHDWGJIWIOEIDB-UONOGXRCSA-N 1 2 425.536 0.564 20 0 ICADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cn1 ZINC001568692420 1071953403 /nfs/dbraw/zinc/95/34/03/1071953403.db2.gz BHDWGJIWIOEIDB-ZIAGYGMSSA-N 1 2 425.536 0.564 20 0 ICADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cn1 ZINC001568692420 1071953401 /nfs/dbraw/zinc/95/34/01/1071953401.db2.gz BHDWGJIWIOEIDB-ZIAGYGMSSA-N 1 2 425.536 0.564 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)CC1 ZINC001568757293 1071955436 /nfs/dbraw/zinc/95/54/36/1071955436.db2.gz NUDILJNQOOLMES-UHFFFAOYSA-N 1 2 440.566 0.705 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)C2)CC1 ZINC001568789834 1071956965 /nfs/dbraw/zinc/95/69/65/1071956965.db2.gz JCEVOCPMZZQQJG-CVEARBPZSA-N 1 2 445.586 0.056 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)C2)CC1 ZINC001568789835 1071956815 /nfs/dbraw/zinc/95/68/15/1071956815.db2.gz JCEVOCPMZZQQJG-HOTGVXAUSA-N 1 2 445.586 0.056 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)C2)CC1 ZINC001568789836 1071956904 /nfs/dbraw/zinc/95/69/04/1071956904.db2.gz JCEVOCPMZZQQJG-HZPDHXFCSA-N 1 2 445.586 0.056 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)C2)CC1 ZINC001568789837 1071957009 /nfs/dbraw/zinc/95/70/09/1071957009.db2.gz JCEVOCPMZZQQJG-JKSUJKDBSA-N 1 2 445.586 0.056 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CNS(=O)(=O)c1ccc3c(c1)COC3)C2 ZINC001568813829 1071956997 /nfs/dbraw/zinc/95/69/97/1071956997.db2.gz QWVMMTBUKLCCTL-INIZCTEOSA-N 1 2 434.518 0.166 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc3c(c1)COC3)C2 ZINC001568813830 1071956993 /nfs/dbraw/zinc/95/69/93/1071956993.db2.gz QWVMMTBUKLCCTL-MRXNPFEDSA-N 1 2 434.518 0.166 20 0 ICADLO COCCn1cc(N2C[C@H](C(=O)N[C@H]3CCc4c([nH+]c(C)n4CCO)C3)CC2=O)cn1 ZINC001568814308 1071957035 /nfs/dbraw/zinc/95/70/35/1071957035.db2.gz VAIUDQHAGJSAPH-CVEARBPZSA-N 1 2 430.509 0.053 20 0 ICADLO COCCn1cc(N2C[C@@H](C(=O)N[C@H]3CCc4c([nH+]c(C)n4CCO)C3)CC2=O)cn1 ZINC001568814317 1071956889 /nfs/dbraw/zinc/95/68/89/1071956889.db2.gz VAIUDQHAGJSAPH-HOTGVXAUSA-N 1 2 430.509 0.053 20 0 ICADLO COCCn1cc(N2C[C@H](C(=O)N[C@@H]3CCc4c([nH+]c(C)n4CCO)C3)CC2=O)cn1 ZINC001568814320 1071956939 /nfs/dbraw/zinc/95/69/39/1071956939.db2.gz VAIUDQHAGJSAPH-HZPDHXFCSA-N 1 2 430.509 0.053 20 0 ICADLO COCCn1cc(N2C[C@@H](C(=O)N[C@@H]3CCc4c([nH+]c(C)n4CCO)C3)CC2=O)cn1 ZINC001568814321 1071956867 /nfs/dbraw/zinc/95/68/67/1071956867.db2.gz VAIUDQHAGJSAPH-JKSUJKDBSA-N 1 2 430.509 0.053 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)C2 ZINC001568814660 1071956947 /nfs/dbraw/zinc/95/69/47/1071956947.db2.gz YOOVWBMWOFSBMT-BBRMVZONSA-N 1 2 436.534 0.130 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)C2 ZINC001568814661 1071956847 /nfs/dbraw/zinc/95/68/47/1071956847.db2.gz YOOVWBMWOFSBMT-CJNGLKHVSA-N 1 2 436.534 0.130 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)C2 ZINC001568814662 1071956928 /nfs/dbraw/zinc/95/69/28/1071956928.db2.gz YOOVWBMWOFSBMT-CZUORRHYSA-N 1 2 436.534 0.130 20 0 ICADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)C2 ZINC001568814663 1071957458 /nfs/dbraw/zinc/95/74/58/1071957458.db2.gz YOOVWBMWOFSBMT-XJKSGUPXSA-N 1 2 436.534 0.130 20 0 ICADLO CC[C@H](C)[C@H](NC(=O)OC)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568832608 1071958141 /nfs/dbraw/zinc/95/81/41/1071958141.db2.gz CQTDKQXUXBQWKR-BXWFABGCSA-N 1 2 448.568 0.720 20 0 ICADLO CC[C@H](C)[C@H](NC(=O)OC)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568832610 1071957979 /nfs/dbraw/zinc/95/79/79/1071957979.db2.gz CQTDKQXUXBQWKR-FCEWJHQRSA-N 1 2 448.568 0.720 20 0 ICADLO CC(=O)c1ncc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)s1 ZINC001568833202 1071957931 /nfs/dbraw/zinc/95/79/31/1071957931.db2.gz JFVFWSHGDRGLAO-AWEZNQCLSA-N 1 2 430.534 0.922 20 0 ICADLO CC(=O)c1ncc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)s1 ZINC001568833203 1071958098 /nfs/dbraw/zinc/95/80/98/1071958098.db2.gz JFVFWSHGDRGLAO-CQSZACIVSA-N 1 2 430.534 0.922 20 0 ICADLO CC(=O)Nc1cnccc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568833403 1071957966 /nfs/dbraw/zinc/95/79/66/1071957966.db2.gz LVJOPYWQKIWBEJ-INIZCTEOSA-N 1 2 439.520 0.617 20 0 ICADLO CC(=O)Nc1cnccc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568833404 1071957915 /nfs/dbraw/zinc/95/79/15/1071957915.db2.gz LVJOPYWQKIWBEJ-MRXNPFEDSA-N 1 2 439.520 0.617 20 0 ICADLO CSc1nccnc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568833424 1071958087 /nfs/dbraw/zinc/95/80/87/1071958087.db2.gz MCKBNFGNNIZVNP-AWEZNQCLSA-N 1 2 429.550 0.775 20 0 ICADLO CSc1nccnc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568833429 1071958048 /nfs/dbraw/zinc/95/80/48/1071958048.db2.gz MCKBNFGNNIZVNP-CQSZACIVSA-N 1 2 429.550 0.775 20 0 ICADLO CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568833649 1071958020 /nfs/dbraw/zinc/95/80/20/1071958020.db2.gz NMOOKKFUFGBWSJ-AEFFLSMTSA-N 1 2 430.553 0.349 20 0 ICADLO CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568833650 1071958060 /nfs/dbraw/zinc/95/80/60/1071958060.db2.gz NMOOKKFUFGBWSJ-WMZOPIPTSA-N 1 2 430.553 0.349 20 0 ICADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)/C=C\c2ccc(C(N)=O)o2)CC3)CC1 ZINC001568833821 1071958536 /nfs/dbraw/zinc/95/85/36/1071958536.db2.gz QXGXSSMJXSWYBU-QTLSWZBMSA-N 1 2 440.504 0.355 20 0 ICADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)/C=C/c2ccc(C(N)=O)o2)CC3)CC1 ZINC001568833822 1071958584 /nfs/dbraw/zinc/95/85/84/1071958584.db2.gz QXGXSSMJXSWYBU-SJDLMVEWSA-N 1 2 440.504 0.355 20 0 ICADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)/C=C/c2ccc(C(N)=O)o2)CC3)CC1 ZINC001568833823 1071958743 /nfs/dbraw/zinc/95/87/43/1071958743.db2.gz QXGXSSMJXSWYBU-UJAVWCLSSA-N 1 2 440.504 0.355 20 0 ICADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)/C=C\c2ccc(C(N)=O)o2)CC3)CC1 ZINC001568833824 1071958714 /nfs/dbraw/zinc/95/87/14/1071958714.db2.gz QXGXSSMJXSWYBU-UYWPIULCSA-N 1 2 440.504 0.355 20 0 ICADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)/C=C/COC2CCOCC2)CC3)CC1 ZINC001568833851 1071958552 /nfs/dbraw/zinc/95/85/52/1071958552.db2.gz RQSSPEPDHLCPJO-DCKQQPRJSA-N 1 2 445.564 0.701 20 0 ICADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)/C=C\COC2CCOCC2)CC3)CC1 ZINC001568833852 1071958613 /nfs/dbraw/zinc/95/86/13/1071958613.db2.gz RQSSPEPDHLCPJO-KVLZDYKBSA-N 1 2 445.564 0.701 20 0 ICADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)/C=C\COC2CCOCC2)CC3)CC1 ZINC001568833853 1071958702 /nfs/dbraw/zinc/95/87/02/1071958702.db2.gz RQSSPEPDHLCPJO-LHRDXKRPSA-N 1 2 445.564 0.701 20 0 ICADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)/C=C/COC2CCOCC2)CC3)CC1 ZINC001568833854 1071958759 /nfs/dbraw/zinc/95/87/59/1071958759.db2.gz RQSSPEPDHLCPJO-ZMUQKWFASA-N 1 2 445.564 0.701 20 0 ICADLO CC(C)C[C@]1(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CCNC1=O ZINC001568833956 1071958543 /nfs/dbraw/zinc/95/85/43/1071958543.db2.gz VVGXJSLJUXLORS-GAJHUEQPSA-N 1 2 444.580 0.502 20 0 ICADLO CC(C)C[C@@]1(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CCNC1=O ZINC001568833957 1071958645 /nfs/dbraw/zinc/95/86/45/1071958645.db2.gz VVGXJSLJUXLORS-HXOBKFHXSA-N 1 2 444.580 0.502 20 0 ICADLO CC(C)C[C@@]1(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CCNC1=O ZINC001568833958 1071958598 /nfs/dbraw/zinc/95/85/98/1071958598.db2.gz VVGXJSLJUXLORS-SBUREZEXSA-N 1 2 444.580 0.502 20 0 ICADLO CC(C)C[C@]1(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CCNC1=O ZINC001568833959 1071958770 /nfs/dbraw/zinc/95/87/70/1071958770.db2.gz VVGXJSLJUXLORS-UZUQRXQVSA-N 1 2 444.580 0.502 20 0 ICADLO CO[C@@H]1COCC[C@H]1CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568833965 1071958675 /nfs/dbraw/zinc/95/86/75/1071958675.db2.gz WBRQCCPSIXIZHV-ABSDTBQOSA-N 1 2 433.553 0.391 20 0 ICADLO CO[C@@H]1COCC[C@H]1CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568833966 1071958727 /nfs/dbraw/zinc/95/87/27/1071958727.db2.gz WBRQCCPSIXIZHV-FUHIMQAGSA-N 1 2 433.553 0.391 20 0 ICADLO CO[C@@H]1COCC[C@@H]1CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568833967 1071958625 /nfs/dbraw/zinc/95/86/25/1071958625.db2.gz WBRQCCPSIXIZHV-MBOZVWFJSA-N 1 2 433.553 0.391 20 0 ICADLO CO[C@@H]1COCC[C@@H]1CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568833968 1071958690 /nfs/dbraw/zinc/95/86/90/1071958690.db2.gz WBRQCCPSIXIZHV-SQGPQFPESA-N 1 2 433.553 0.391 20 0 ICADLO COc1cnc(F)c(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1 ZINC001568834114 1071958562 /nfs/dbraw/zinc/95/85/62/1071958562.db2.gz ZVAFGWDLLUZJFL-AWEZNQCLSA-N 1 2 430.484 0.806 20 0 ICADLO COc1cnc(F)c(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1 ZINC001568834115 1071958663 /nfs/dbraw/zinc/95/86/63/1071958663.db2.gz ZVAFGWDLLUZJFL-CQSZACIVSA-N 1 2 430.484 0.806 20 0 ICADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001568918588 1071960848 /nfs/dbraw/zinc/96/08/48/1071960848.db2.gz VMWRRKGJMQUBIV-UHFFFAOYSA-N 1 2 425.536 0.476 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC001569039222 1071964699 /nfs/dbraw/zinc/96/46/99/1071964699.db2.gz BAXMPPLFBABTHQ-UHFFFAOYSA-N 1 2 427.508 0.308 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001569039486 1071965160 /nfs/dbraw/zinc/96/51/60/1071965160.db2.gz MKCJXUMNAJWFDM-KRWDZBQOSA-N 1 2 446.570 0.907 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001569039486 1071965152 /nfs/dbraw/zinc/96/51/52/1071965152.db2.gz MKCJXUMNAJWFDM-KRWDZBQOSA-N 1 2 446.570 0.907 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001569039487 1071965072 /nfs/dbraw/zinc/96/50/72/1071965072.db2.gz MKCJXUMNAJWFDM-QGZVFWFLSA-N 1 2 446.570 0.907 20 0 ICADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001569039487 1071965068 /nfs/dbraw/zinc/96/50/68/1071965068.db2.gz MKCJXUMNAJWFDM-QGZVFWFLSA-N 1 2 446.570 0.907 20 0 ICADLO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)n2C ZINC001569173734 1071972282 /nfs/dbraw/zinc/97/22/82/1071972282.db2.gz AWFXVIWKCBPKOK-IYBDPMFKSA-N 1 2 449.577 0.736 20 0 ICADLO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC[N@H+]1C[C@H]3CC[C@@H](C1)O3)n2C ZINC001569173734 1071972280 /nfs/dbraw/zinc/97/22/80/1071972280.db2.gz AWFXVIWKCBPKOK-IYBDPMFKSA-N 1 2 449.577 0.736 20 0 ICADLO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC001569177214 1071972293 /nfs/dbraw/zinc/97/22/93/1071972293.db2.gz HNQQRLLUXUAZAZ-IYBDPMFKSA-N 1 2 426.539 0.862 20 0 ICADLO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC001569177214 1071972292 /nfs/dbraw/zinc/97/22/92/1071972292.db2.gz HNQQRLLUXUAZAZ-IYBDPMFKSA-N 1 2 426.539 0.862 20 0 ICADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001569249176 1071975387 /nfs/dbraw/zinc/97/53/87/1071975387.db2.gz XOKPGFWYMOIQCX-HNNXBMFYSA-N 1 2 432.564 0.082 20 0 ICADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001569249176 1071975383 /nfs/dbraw/zinc/97/53/83/1071975383.db2.gz XOKPGFWYMOIQCX-HNNXBMFYSA-N 1 2 432.564 0.082 20 0 ICADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001569249177 1071975528 /nfs/dbraw/zinc/97/55/28/1071975528.db2.gz XOKPGFWYMOIQCX-OAHLLOKOSA-N 1 2 432.564 0.082 20 0 ICADLO CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001569249177 1071975523 /nfs/dbraw/zinc/97/55/23/1071975523.db2.gz XOKPGFWYMOIQCX-OAHLLOKOSA-N 1 2 432.564 0.082 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC001569251364 1071976127 /nfs/dbraw/zinc/97/61/27/1071976127.db2.gz YIVZKOUXYYBLJV-GQIGUUNPSA-N 1 2 445.582 0.231 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC001569251364 1071976125 /nfs/dbraw/zinc/97/61/25/1071976125.db2.gz YIVZKOUXYYBLJV-GQIGUUNPSA-N 1 2 445.582 0.231 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC001569251365 1071976075 /nfs/dbraw/zinc/97/60/75/1071976075.db2.gz YIVZKOUXYYBLJV-JXXFODFXSA-N 1 2 445.582 0.231 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC001569251365 1071976072 /nfs/dbraw/zinc/97/60/72/1071976072.db2.gz YIVZKOUXYYBLJV-JXXFODFXSA-N 1 2 445.582 0.231 20 0 ICADLO COC[C@@]1(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001569260255 1071977037 /nfs/dbraw/zinc/97/70/37/1071977037.db2.gz KGNTYCRSIJLXIU-DYESRHJHSA-N 1 2 427.542 0.962 20 0 ICADLO COC[C@@]1(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001569260256 1071977071 /nfs/dbraw/zinc/97/70/71/1071977071.db2.gz KGNTYCRSIJLXIU-LAUBAEHRSA-N 1 2 427.542 0.962 20 0 ICADLO COC[C@]1(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001569260257 1071977135 /nfs/dbraw/zinc/97/71/35/1071977135.db2.gz KGNTYCRSIJLXIU-UTKZUKDTSA-N 1 2 427.542 0.962 20 0 ICADLO COC[C@]1(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001569260258 1071977053 /nfs/dbraw/zinc/97/70/53/1071977053.db2.gz KGNTYCRSIJLXIU-UWJYYQICSA-N 1 2 427.542 0.962 20 0 ICADLO O=C(NCCc1ccccc1N1CCOCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001569283090 1071978067 /nfs/dbraw/zinc/97/80/67/1071978067.db2.gz YQVGZXMSZNFCQJ-FQEVSTJZSA-N 1 2 430.549 0.363 20 0 ICADLO O=C(NCCc1ccccc1N1CCOCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001569283091 1071978141 /nfs/dbraw/zinc/97/81/41/1071978141.db2.gz YQVGZXMSZNFCQJ-HXUWFJFHSA-N 1 2 430.549 0.363 20 0 ICADLO CCOC(=O)c1cnn(C2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c1 ZINC001569285277 1071978054 /nfs/dbraw/zinc/97/80/54/1071978054.db2.gz GCZCRTGATVOAQQ-KRWDZBQOSA-N 1 2 447.536 0.404 20 0 ICADLO CCOC(=O)c1cnn(C2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c1 ZINC001569285278 1071978151 /nfs/dbraw/zinc/97/81/51/1071978151.db2.gz GCZCRTGATVOAQQ-QGZVFWFLSA-N 1 2 447.536 0.404 20 0 ICADLO O=C(NCCS(=O)(=O)C1CCOCC1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001569311831 1071979141 /nfs/dbraw/zinc/97/91/41/1071979141.db2.gz KZJGANKWEIIDGH-SFHVURJKSA-N 1 2 440.566 0.727 20 0 ICADLO O=C(NCCS(=O)(=O)C1CCOCC1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001569311831 1071979138 /nfs/dbraw/zinc/97/91/38/1071979138.db2.gz KZJGANKWEIIDGH-SFHVURJKSA-N 1 2 440.566 0.727 20 0 ICADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)C1 ZINC001569337079 1071979591 /nfs/dbraw/zinc/97/95/91/1071979591.db2.gz JMRHYLFSHFVUBV-HNNXBMFYSA-N 1 2 427.523 0.958 20 0 ICADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)C1 ZINC001569337079 1071979588 /nfs/dbraw/zinc/97/95/88/1071979588.db2.gz JMRHYLFSHFVUBV-HNNXBMFYSA-N 1 2 427.523 0.958 20 0 ICADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)C1 ZINC001569337080 1071979572 /nfs/dbraw/zinc/97/95/72/1071979572.db2.gz JMRHYLFSHFVUBV-OAHLLOKOSA-N 1 2 427.523 0.958 20 0 ICADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)C1 ZINC001569337080 1071979568 /nfs/dbraw/zinc/97/95/68/1071979568.db2.gz JMRHYLFSHFVUBV-OAHLLOKOSA-N 1 2 427.523 0.958 20 0 ICADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Cc1ccccc1 ZINC001569368625 1071980277 /nfs/dbraw/zinc/98/02/77/1071980277.db2.gz KLLVIBJEQDMASS-CALCHBBNSA-N 1 2 430.505 0.744 20 0 ICADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Cc1ccccc1 ZINC001569368625 1071980272 /nfs/dbraw/zinc/98/02/72/1071980272.db2.gz KLLVIBJEQDMASS-CALCHBBNSA-N 1 2 430.505 0.744 20 0 ICADLO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001569391373 1071980715 /nfs/dbraw/zinc/98/07/15/1071980715.db2.gz ZNKQPBRUOBPROM-INIZCTEOSA-N 1 2 449.508 0.376 20 0 ICADLO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001569391374 1071980693 /nfs/dbraw/zinc/98/06/93/1071980693.db2.gz ZNKQPBRUOBPROM-MRXNPFEDSA-N 1 2 449.508 0.376 20 0 ICADLO COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1c1ccc(O)cc1 ZINC001569499248 1071983427 /nfs/dbraw/zinc/98/34/27/1071983427.db2.gz VSEUHZLJWMSFNP-YSIASYRMSA-N 1 2 445.516 0.288 20 0 ICADLO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1c1ccc(O)cc1 ZINC001569499249 1071983534 /nfs/dbraw/zinc/98/35/34/1071983534.db2.gz VSEUHZLJWMSFNP-YZGWKJHDSA-N 1 2 445.516 0.288 20 0 ICADLO O=C(Nc1ccc(C2CC(=O)NC(=O)C2)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001569807922 1071989613 /nfs/dbraw/zinc/98/96/13/1071989613.db2.gz OPTCHOGSIHRCSB-KRWDZBQOSA-N 1 2 428.489 0.326 20 0 ICADLO O=C(Nc1ccc(C2CC(=O)NC(=O)C2)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001569807923 1071989685 /nfs/dbraw/zinc/98/96/85/1071989685.db2.gz OPTCHOGSIHRCSB-QGZVFWFLSA-N 1 2 428.489 0.326 20 0 ICADLO CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)ccn1 ZINC001569955200 1071992427 /nfs/dbraw/zinc/99/24/27/1071992427.db2.gz SHIOQJFFOUDWHJ-GGPKGHCWSA-N 1 2 432.521 0.691 20 0 ICADLO CNC(=O)c1cc(O[C@H]2CCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)ccn1 ZINC001569955201 1071992338 /nfs/dbraw/zinc/99/23/38/1071992338.db2.gz SHIOQJFFOUDWHJ-NSHGMRRFSA-N 1 2 432.521 0.691 20 0 ICADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CN3CCCCS3(=O)=O)CC2)C1 ZINC001570073758 1071995140 /nfs/dbraw/zinc/99/51/40/1071995140.db2.gz SVYPVIPLJPAJHU-INIZCTEOSA-N 1 2 430.571 0.566 20 0 ICADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CN3CCCCS3(=O)=O)CC2)C1 ZINC001570073759 1071995028 /nfs/dbraw/zinc/99/50/28/1071995028.db2.gz SVYPVIPLJPAJHU-MRXNPFEDSA-N 1 2 430.571 0.566 20 0 ICADLO O=C(Cn1cc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)cn1)NC1CCCCC1 ZINC001570189930 1071999262 /nfs/dbraw/zinc/99/92/62/1071999262.db2.gz SEVHFGHIZHXJHY-UHFFFAOYSA-N 1 2 433.553 0.943 20 0 ICADLO CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001570275935 1072005707 /nfs/dbraw/zinc/00/57/07/1072005707.db2.gz PMJUNFQWZBCVKA-KRWDZBQOSA-N 1 2 429.514 0.954 20 0 ICADLO CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001570275935 1072005694 /nfs/dbraw/zinc/00/56/94/1072005694.db2.gz PMJUNFQWZBCVKA-KRWDZBQOSA-N 1 2 429.514 0.954 20 0 ICADLO CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001570275936 1072006237 /nfs/dbraw/zinc/00/62/37/1072006237.db2.gz PMJUNFQWZBCVKA-QGZVFWFLSA-N 1 2 429.514 0.954 20 0 ICADLO CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001570275936 1072006220 /nfs/dbraw/zinc/00/62/20/1072006220.db2.gz PMJUNFQWZBCVKA-QGZVFWFLSA-N 1 2 429.514 0.954 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC001570318015 1072007842 /nfs/dbraw/zinc/00/78/42/1072007842.db2.gz FJIXAMOWSXBIOM-GOSISDBHSA-N 1 2 435.443 0.424 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC001570318016 1072007895 /nfs/dbraw/zinc/00/78/95/1072007895.db2.gz FJIXAMOWSXBIOM-SFHVURJKSA-N 1 2 435.443 0.424 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1 ZINC001570318415 1072008182 /nfs/dbraw/zinc/00/81/82/1072008182.db2.gz PUYYVIKFLWCHSZ-UHFFFAOYSA-N 1 2 445.495 0.965 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001570318790 1072008316 /nfs/dbraw/zinc/00/83/16/1072008316.db2.gz ZLCUXVRWRWYUDA-AZUAARDMSA-N 1 2 437.512 0.136 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001570318791 1072008221 /nfs/dbraw/zinc/00/82/21/1072008221.db2.gz ZLCUXVRWRWYUDA-ICSRJNTNSA-N 1 2 437.512 0.136 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001570318792 1072008284 /nfs/dbraw/zinc/00/82/84/1072008284.db2.gz ZLCUXVRWRWYUDA-QUCCMNQESA-N 1 2 437.512 0.136 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001570318793 1072008331 /nfs/dbraw/zinc/00/83/31/1072008331.db2.gz ZLCUXVRWRWYUDA-UYAOXDASSA-N 1 2 437.512 0.136 20 0 ICADLO Cn1c(=O)c2ccc(C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)cc2[nH]c1=S ZINC001570329278 1072009263 /nfs/dbraw/zinc/00/92/63/1072009263.db2.gz QZXYGXMJYIDZEP-UHFFFAOYSA-N 1 2 431.562 0.749 20 0 ICADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(C)(C)C[NH+]3CCOCC3)CC2)cc1 ZINC001570331821 1072009669 /nfs/dbraw/zinc/00/96/69/1072009669.db2.gz ZWKYTFJAXOZWPS-UHFFFAOYSA-N 1 2 438.594 0.528 20 0 ICADLO CC[NH+]1CCN(CC(C)(C)NC(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)CC1 ZINC001570410352 1072013058 /nfs/dbraw/zinc/01/30/58/1072013058.db2.gz YJCICDHBJHBWOP-UHFFFAOYSA-N 1 2 429.451 0.859 20 0 ICADLO COCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001570535393 1072019839 /nfs/dbraw/zinc/01/98/39/1072019839.db2.gz DZBJWMUJJOHBPW-CVEARBPZSA-N 1 2 433.571 0.638 20 0 ICADLO COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001570535393 1072019822 /nfs/dbraw/zinc/01/98/22/1072019822.db2.gz DZBJWMUJJOHBPW-CVEARBPZSA-N 1 2 433.571 0.638 20 0 ICADLO COCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001570535394 1072019773 /nfs/dbraw/zinc/01/97/73/1072019773.db2.gz DZBJWMUJJOHBPW-HOTGVXAUSA-N 1 2 433.571 0.638 20 0 ICADLO COCC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001570535394 1072019756 /nfs/dbraw/zinc/01/97/56/1072019756.db2.gz DZBJWMUJJOHBPW-HOTGVXAUSA-N 1 2 433.571 0.638 20 0 ICADLO COCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001570535395 1072020022 /nfs/dbraw/zinc/02/00/22/1072020022.db2.gz DZBJWMUJJOHBPW-HZPDHXFCSA-N 1 2 433.571 0.638 20 0 ICADLO COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001570535395 1072020016 /nfs/dbraw/zinc/02/00/16/1072020016.db2.gz DZBJWMUJJOHBPW-HZPDHXFCSA-N 1 2 433.571 0.638 20 0 ICADLO COCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001570535396 1072019933 /nfs/dbraw/zinc/01/99/33/1072019933.db2.gz DZBJWMUJJOHBPW-JKSUJKDBSA-N 1 2 433.571 0.638 20 0 ICADLO COCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 ZINC001570535396 1072019922 /nfs/dbraw/zinc/01/99/22/1072019922.db2.gz DZBJWMUJJOHBPW-JKSUJKDBSA-N 1 2 433.571 0.638 20 0 ICADLO COc1ccc(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1S(=O)(=O)N1CCOCC1 ZINC001570609914 1072023206 /nfs/dbraw/zinc/02/32/06/1072023206.db2.gz WIPAMPYIMBJWLX-INIZCTEOSA-N 1 2 434.518 0.586 20 0 ICADLO COc1ccc(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1S(=O)(=O)N1CCOCC1 ZINC001570609915 1072023412 /nfs/dbraw/zinc/02/34/12/1072023412.db2.gz WIPAMPYIMBJWLX-MRXNPFEDSA-N 1 2 434.518 0.586 20 0 ICADLO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC001570632507 1072024269 /nfs/dbraw/zinc/02/42/69/1072024269.db2.gz QBPLFMCKSWDEIB-HNNXBMFYSA-N 1 2 439.534 0.590 20 0 ICADLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC001570632508 1072024594 /nfs/dbraw/zinc/02/45/94/1072024594.db2.gz QBPLFMCKSWDEIB-OAHLLOKOSA-N 1 2 439.534 0.590 20 0 ICADLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC001570632669 1072025095 /nfs/dbraw/zinc/02/50/95/1072025095.db2.gz 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CCN1C(=O)c2ccc(C(=O)N3CC[NH+](CCOCCOC)CC3)cc2S1(=O)=O ZINC001583230580 1072044712 /nfs/dbraw/zinc/04/47/12/1072044712.db2.gz GVFCSGJBDWLBAX-UHFFFAOYSA-N 1 2 425.507 0.272 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001583231487 1072044667 /nfs/dbraw/zinc/04/46/67/1072044667.db2.gz XXHGETPKLSCOJL-HNNXBMFYSA-N 1 2 433.958 0.814 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)CC1 ZINC001583231512 1072044853 /nfs/dbraw/zinc/04/48/53/1072044853.db2.gz YIEJELKPGVSPPK-UHFFFAOYSA-N 1 2 439.534 0.660 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1 ZINC001583235486 1072044813 /nfs/dbraw/zinc/04/48/13/1072044813.db2.gz CCHPBVGHOJGEGS-HNNXBMFYSA-N 1 2 437.566 0.869 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1 ZINC001583235490 1072044738 /nfs/dbraw/zinc/04/47/38/1072044738.db2.gz CCHPBVGHOJGEGS-OAHLLOKOSA-N 1 2 437.566 0.869 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001583236030 1072044565 /nfs/dbraw/zinc/04/45/65/1072044565.db2.gz MKBXKZXONOIEPN-UHFFFAOYSA-N 1 2 426.514 0.559 20 0 ICADLO C[C@@H](Sc1nc(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cs1)C(N)=O ZINC001583306074 1072047892 /nfs/dbraw/zinc/04/78/92/1072047892.db2.gz XGZULXWPFCKESV-PXAZEXFGSA-N 1 2 430.621 0.976 20 0 ICADLO C[C@H](Sc1nc(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cs1)C(N)=O ZINC001583306075 1072048466 /nfs/dbraw/zinc/04/84/66/1072048466.db2.gz XGZULXWPFCKESV-SJCJKPOMSA-N 1 2 430.621 0.976 20 0 ICADLO C[C@@H](Sc1nc(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cs1)C(N)=O ZINC001583306076 1072048552 /nfs/dbraw/zinc/04/85/52/1072048552.db2.gz XGZULXWPFCKESV-SJKOYZFVSA-N 1 2 430.621 0.976 20 0 ICADLO C[C@H](Sc1nc(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cs1)C(N)=O ZINC001583306077 1072048376 /nfs/dbraw/zinc/04/83/76/1072048376.db2.gz XGZULXWPFCKESV-YVEFUNNKSA-N 1 2 430.621 0.976 20 0 ICADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001583314488 1072049435 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/nfs/dbraw/zinc/05/22/79/1072052279.db2.gz XYFZPDGBBAULGJ-KSSFIOAISA-N 1 2 435.452 0.273 20 0 ICADLO COC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccc(F)cc2O1 ZINC001583365255 1072052459 /nfs/dbraw/zinc/05/24/59/1072052459.db2.gz XYFZPDGBBAULGJ-RDTXWAMCSA-N 1 2 435.452 0.273 20 0 ICADLO COCC[NH+](CCOC)C1CN(C(=O)c2cnc(I)c(O)c2)C1 ZINC001583377697 1072053153 /nfs/dbraw/zinc/05/31/53/1072053153.db2.gz LJPRWLVHRVXRKQ-UHFFFAOYSA-N 1 2 435.262 0.811 20 0 ICADLO Cn1ncc(I)c1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001583405711 1072053724 /nfs/dbraw/zinc/05/37/24/1072053724.db2.gz PKXREDKDEXEGNI-UHFFFAOYSA-N 1 2 434.278 0.636 20 0 ICADLO CCOC(=O)[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC001583576631 1072061798 /nfs/dbraw/zinc/06/17/98/1072061798.db2.gz TZRYWOBXGRNRKH-PMACEKPBSA-N 1 2 431.533 0.705 20 0 ICADLO CCOC(=O)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC001583576632 1072061910 /nfs/dbraw/zinc/06/19/10/1072061910.db2.gz TZRYWOBXGRNRKH-UXHICEINSA-N 1 2 431.533 0.705 20 0 ICADLO CCOC(=O)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC001583576633 1072061592 /nfs/dbraw/zinc/06/15/92/1072061592.db2.gz TZRYWOBXGRNRKH-WOJBJXKFSA-N 1 2 431.533 0.705 20 0 ICADLO CN1CCn2ncc(C(=O)NCc3ccccc3OCC[NH+]3CCOCC3)c2S1(=O)=O ZINC001583578297 1072061870 /nfs/dbraw/zinc/06/18/70/1072061870.db2.gz DVFBPQUXTPXCMO-UHFFFAOYSA-N 1 2 449.533 0.158 20 0 ICADLO CN1CCn2nc(C(=O)NCc3ccccc3OCC[NH+]3CCOCC3)cc2S1(=O)=O ZINC001583578656 1072061624 /nfs/dbraw/zinc/06/16/24/1072061624.db2.gz KEAZDLCMPXOJEM-UHFFFAOYSA-N 1 2 449.533 0.158 20 0 ICADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1cc(N2CCOCC2)ncn1 ZINC001583579258 1072061834 /nfs/dbraw/zinc/06/18/34/1072061834.db2.gz QFJBFAGZNWYDIP-UHFFFAOYSA-N 1 2 427.505 0.954 20 0 ICADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001583579708 1072061714 /nfs/dbraw/zinc/06/17/14/1072061714.db2.gz UFXAHYYKUQRQKU-MOPGFXCFSA-N 1 2 427.505 0.444 20 0 ICADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001583579710 1072061581 /nfs/dbraw/zinc/06/15/81/1072061581.db2.gz UFXAHYYKUQRQKU-OALUTQOASA-N 1 2 427.505 0.444 20 0 ICADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001583579712 1072062351 /nfs/dbraw/zinc/06/23/51/1072062351.db2.gz UFXAHYYKUQRQKU-RBUKOAKNSA-N 1 2 427.505 0.444 20 0 ICADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001583579714 1072062532 /nfs/dbraw/zinc/06/25/32/1072062532.db2.gz UFXAHYYKUQRQKU-RTBURBONSA-N 1 2 427.505 0.444 20 0 ICADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001583742958 1072068493 /nfs/dbraw/zinc/06/84/93/1072068493.db2.gz DBFNBIVXZVIIBL-UHFFFAOYSA-N 1 2 446.552 0.580 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1 ZINC001583787661 1072070141 /nfs/dbraw/zinc/07/01/41/1072070141.db2.gz HIGMLCBUXABLCJ-UHFFFAOYSA-N 1 2 429.901 0.632 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)CC1 ZINC001583787840 1072070183 /nfs/dbraw/zinc/07/01/83/1072070183.db2.gz KCXPVJDHLCMZDD-UHFFFAOYSA-N 1 2 427.567 0.973 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC001583788204 1072070165 /nfs/dbraw/zinc/07/01/65/1072070165.db2.gz SJFABLFXRULGMX-BZSNNMDCSA-N 1 2 441.594 0.699 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC001583788205 1072070671 /nfs/dbraw/zinc/07/06/71/1072070671.db2.gz SJFABLFXRULGMX-FGTMMUONSA-N 1 2 441.594 0.699 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC001583788206 1072070809 /nfs/dbraw/zinc/07/08/09/1072070809.db2.gz SJFABLFXRULGMX-KSZLIROESA-N 1 2 441.594 0.699 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC001583788207 1072071071 /nfs/dbraw/zinc/07/10/71/1072071071.db2.gz SJFABLFXRULGMX-KURKYZTESA-N 1 2 441.594 0.699 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)CC1 ZINC001583788215 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/nfs/dbraw/zinc/11/93/86/1072119386.db2.gz CGWFPLMHXPBNDX-FQEVSTJZSA-N 1 2 431.599 0.560 20 0 ICADLO CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC001584880854 1072119548 /nfs/dbraw/zinc/11/95/48/1072119548.db2.gz CGWFPLMHXPBNDX-HXUWFJFHSA-N 1 2 431.599 0.560 20 0 ICADLO CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC001584880854 1072119544 /nfs/dbraw/zinc/11/95/44/1072119544.db2.gz CGWFPLMHXPBNDX-HXUWFJFHSA-N 1 2 431.599 0.560 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC001584880993 1072119424 /nfs/dbraw/zinc/11/94/24/1072119424.db2.gz FNCURBFDSOBPAK-IBGZPJMESA-N 1 2 445.969 0.740 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC001584880993 1072119412 /nfs/dbraw/zinc/11/94/12/1072119412.db2.gz FNCURBFDSOBPAK-IBGZPJMESA-N 1 2 445.969 0.740 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC001584880996 1072119563 /nfs/dbraw/zinc/11/95/63/1072119563.db2.gz FNCURBFDSOBPAK-LJQANCHMSA-N 1 2 445.969 0.740 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC001584880996 1072119559 /nfs/dbraw/zinc/11/95/59/1072119559.db2.gz FNCURBFDSOBPAK-LJQANCHMSA-N 1 2 445.969 0.740 20 0 ICADLO Cn1cc([C@@H]2[C@@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)CC(=O)N2C(C)(C)C)cn1 ZINC001584881083 1072119360 /nfs/dbraw/zinc/11/93/60/1072119360.db2.gz GHLSJLYJTHHDPQ-GEQKSPFYSA-N 1 2 447.580 0.840 20 0 ICADLO Cn1cc([C@@H]2[C@@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)CC(=O)N2C(C)(C)C)cn1 ZINC001584881083 1072119348 /nfs/dbraw/zinc/11/93/48/1072119348.db2.gz GHLSJLYJTHHDPQ-GEQKSPFYSA-N 1 2 447.580 0.840 20 0 ICADLO Cn1cc([C@H]2[C@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)CC(=O)N2C(C)(C)C)cn1 ZINC001584881085 1072119595 /nfs/dbraw/zinc/11/95/95/1072119595.db2.gz GHLSJLYJTHHDPQ-HFJQGTKSSA-N 1 2 447.580 0.840 20 0 ICADLO Cn1cc([C@H]2[C@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)CC(=O)N2C(C)(C)C)cn1 ZINC001584881085 1072119591 /nfs/dbraw/zinc/11/95/91/1072119591.db2.gz GHLSJLYJTHHDPQ-HFJQGTKSSA-N 1 2 447.580 0.840 20 0 ICADLO Cn1cc([C@@H]2[C@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)CC(=O)N2C(C)(C)C)cn1 ZINC001584881086 1072119531 /nfs/dbraw/zinc/11/95/31/1072119531.db2.gz GHLSJLYJTHHDPQ-LYHRCORUSA-N 1 2 447.580 0.840 20 0 ICADLO Cn1cc([C@@H]2[C@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)CC(=O)N2C(C)(C)C)cn1 ZINC001584881086 1072119528 /nfs/dbraw/zinc/11/95/28/1072119528.db2.gz GHLSJLYJTHHDPQ-LYHRCORUSA-N 1 2 447.580 0.840 20 0 ICADLO Cn1cc([C@H]2[C@@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)CC(=O)N2C(C)(C)C)cn1 ZINC001584881088 1072119625 /nfs/dbraw/zinc/11/96/25/1072119625.db2.gz GHLSJLYJTHHDPQ-WCAVRKLYSA-N 1 2 447.580 0.840 20 0 ICADLO Cn1cc([C@H]2[C@@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)CC(=O)N2C(C)(C)C)cn1 ZINC001584881088 1072119621 /nfs/dbraw/zinc/11/96/21/1072119621.db2.gz GHLSJLYJTHHDPQ-WCAVRKLYSA-N 1 2 447.580 0.840 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC001584881174 1072120058 /nfs/dbraw/zinc/12/00/58/1072120058.db2.gz HDBLWYXLKCTDOT-KRWDZBQOSA-N 1 2 446.367 0.972 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC001584881174 1072120053 /nfs/dbraw/zinc/12/00/53/1072120053.db2.gz HDBLWYXLKCTDOT-KRWDZBQOSA-N 1 2 446.367 0.972 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC001584881177 1072119992 /nfs/dbraw/zinc/11/99/92/1072119992.db2.gz HDBLWYXLKCTDOT-QGZVFWFLSA-N 1 2 446.367 0.972 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC001584881177 1072119990 /nfs/dbraw/zinc/11/99/90/1072119990.db2.gz HDBLWYXLKCTDOT-QGZVFWFLSA-N 1 2 446.367 0.972 20 0 ICADLO COc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc(Cl)c1OCC(N)=O ZINC001584881262 1072119909 /nfs/dbraw/zinc/11/99/09/1072119909.db2.gz IFVDRDKJYZCEDT-FQEVSTJZSA-N 1 2 441.912 0.558 20 0 ICADLO COc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc(Cl)c1OCC(N)=O ZINC001584881262 1072119904 /nfs/dbraw/zinc/11/99/04/1072119904.db2.gz IFVDRDKJYZCEDT-FQEVSTJZSA-N 1 2 441.912 0.558 20 0 ICADLO COc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc(Cl)c1OCC(N)=O ZINC001584881263 1072120022 /nfs/dbraw/zinc/12/00/22/1072120022.db2.gz IFVDRDKJYZCEDT-HXUWFJFHSA-N 1 2 441.912 0.558 20 0 ICADLO COc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc(Cl)c1OCC(N)=O ZINC001584881263 1072120018 /nfs/dbraw/zinc/12/00/18/1072120018.db2.gz IFVDRDKJYZCEDT-HXUWFJFHSA-N 1 2 441.912 0.558 20 0 ICADLO CC(C)CNS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001584881314 1072120035 /nfs/dbraw/zinc/12/00/35/1072120035.db2.gz JSKZWIGAZOQGKX-NRFANRHFSA-N 1 2 439.578 0.967 20 0 ICADLO CC(C)CNS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001584881314 1072120031 /nfs/dbraw/zinc/12/00/31/1072120031.db2.gz JSKZWIGAZOQGKX-NRFANRHFSA-N 1 2 439.578 0.967 20 0 ICADLO CC(C)CNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC001584881315 1072119893 /nfs/dbraw/zinc/11/98/93/1072119893.db2.gz JSKZWIGAZOQGKX-OAQYLSRUSA-N 1 2 439.578 0.967 20 0 ICADLO CC(C)CNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC001584881315 1072119890 /nfs/dbraw/zinc/11/98/90/1072119890.db2.gz JSKZWIGAZOQGKX-OAQYLSRUSA-N 1 2 439.578 0.967 20 0 ICADLO Cc1[nH]nc(I)c1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001584881446 1072119780 /nfs/dbraw/zinc/11/97/80/1072119780.db2.gz KSQCNDRIYGCRON-HNNXBMFYSA-N 1 2 434.278 0.668 20 0 ICADLO Cc1[nH]nc(I)c1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001584881446 1072119775 /nfs/dbraw/zinc/11/97/75/1072119775.db2.gz KSQCNDRIYGCRON-HNNXBMFYSA-N 1 2 434.278 0.668 20 0 ICADLO Cc1[nH]nc(I)c1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001584881447 1072119923 /nfs/dbraw/zinc/11/99/23/1072119923.db2.gz KSQCNDRIYGCRON-OAHLLOKOSA-N 1 2 434.278 0.668 20 0 ICADLO Cc1[nH]nc(I)c1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001584881447 1072119918 /nfs/dbraw/zinc/11/99/18/1072119918.db2.gz KSQCNDRIYGCRON-OAHLLOKOSA-N 1 2 434.278 0.668 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001584881670 1072119825 /nfs/dbraw/zinc/11/98/25/1072119825.db2.gz MURDPDAIQMWDLZ-IBGZPJMESA-N 1 2 432.489 0.957 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001584881670 1072119817 /nfs/dbraw/zinc/11/98/17/1072119817.db2.gz MURDPDAIQMWDLZ-IBGZPJMESA-N 1 2 432.489 0.957 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001584881671 1072119937 /nfs/dbraw/zinc/11/99/37/1072119937.db2.gz MURDPDAIQMWDLZ-LJQANCHMSA-N 1 2 432.489 0.957 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001584881671 1072119933 /nfs/dbraw/zinc/11/99/33/1072119933.db2.gz MURDPDAIQMWDLZ-LJQANCHMSA-N 1 2 432.489 0.957 20 0 ICADLO CCOc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1OCC(=O)OC ZINC001584881700 1072119804 /nfs/dbraw/zinc/11/98/04/1072119804.db2.gz NPFAKNQJVGORCQ-JOCHJYFZSA-N 1 2 436.505 0.983 20 0 ICADLO CCOc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1OCC(=O)OC ZINC001584881700 1072119800 /nfs/dbraw/zinc/11/98/00/1072119800.db2.gz NPFAKNQJVGORCQ-JOCHJYFZSA-N 1 2 436.505 0.983 20 0 ICADLO CCOc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1OCC(=O)OC ZINC001584881701 1072119959 /nfs/dbraw/zinc/11/99/59/1072119959.db2.gz NPFAKNQJVGORCQ-QFIPXVFZSA-N 1 2 436.505 0.983 20 0 ICADLO CCOc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1OCC(=O)OC ZINC001584881701 1072119947 /nfs/dbraw/zinc/11/99/47/1072119947.db2.gz NPFAKNQJVGORCQ-QFIPXVFZSA-N 1 2 436.505 0.983 20 0 ICADLO CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001584881704 1072119851 /nfs/dbraw/zinc/11/98/51/1072119851.db2.gz NTVRKYBJQOMEDW-NZQKXSOJSA-N 1 2 433.549 0.938 20 0 ICADLO CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001584881704 1072119843 /nfs/dbraw/zinc/11/98/43/1072119843.db2.gz NTVRKYBJQOMEDW-NZQKXSOJSA-N 1 2 433.549 0.938 20 0 ICADLO CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001584881705 1072120047 /nfs/dbraw/zinc/12/00/47/1072120047.db2.gz NTVRKYBJQOMEDW-REWPJTCUSA-N 1 2 433.549 0.938 20 0 ICADLO CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001584881705 1072120044 /nfs/dbraw/zinc/12/00/44/1072120044.db2.gz NTVRKYBJQOMEDW-REWPJTCUSA-N 1 2 433.549 0.938 20 0 ICADLO Cc1c(Br)cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c(=O)n1C ZINC001584881879 1072119978 /nfs/dbraw/zinc/11/99/78/1072119978.db2.gz OIOWWUCKBYNQCK-GOSISDBHSA-N 1 2 428.327 0.802 20 0 ICADLO Cc1c(Br)cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c(=O)n1C ZINC001584881879 1072119974 /nfs/dbraw/zinc/11/99/74/1072119974.db2.gz OIOWWUCKBYNQCK-GOSISDBHSA-N 1 2 428.327 0.802 20 0 ICADLO Cc1c(Br)cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c(=O)n1C ZINC001584881880 1072120069 /nfs/dbraw/zinc/12/00/69/1072120069.db2.gz OIOWWUCKBYNQCK-SFHVURJKSA-N 1 2 428.327 0.802 20 0 ICADLO Cc1c(Br)cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c(=O)n1C ZINC001584881880 1072120066 /nfs/dbraw/zinc/12/00/66/1072120066.db2.gz OIOWWUCKBYNQCK-SFHVURJKSA-N 1 2 428.327 0.802 20 0 ICADLO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)C2=O)cc1 ZINC001584881999 1072120008 /nfs/dbraw/zinc/12/00/08/1072120008.db2.gz PTMIDXKMFLHGOF-FYYLOGMGSA-N 1 2 444.532 0.494 20 0 ICADLO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)C2=O)cc1 ZINC001584881999 1072120003 /nfs/dbraw/zinc/12/00/03/1072120003.db2.gz PTMIDXKMFLHGOF-FYYLOGMGSA-N 1 2 444.532 0.494 20 0 ICADLO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)C2=O)cc1 ZINC001584882002 1072119875 /nfs/dbraw/zinc/11/98/75/1072119875.db2.gz PTMIDXKMFLHGOF-GGAORHGYSA-N 1 2 444.532 0.494 20 0 ICADLO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)C2=O)cc1 ZINC001584882002 1072119869 /nfs/dbraw/zinc/11/98/69/1072119869.db2.gz PTMIDXKMFLHGOF-GGAORHGYSA-N 1 2 444.532 0.494 20 0 ICADLO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)C2=O)cc1 ZINC001584882005 1072120554 /nfs/dbraw/zinc/12/05/54/1072120554.db2.gz PTMIDXKMFLHGOF-GMAHTHKFSA-N 1 2 444.532 0.494 20 0 ICADLO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)C2=O)cc1 ZINC001584882005 1072120552 /nfs/dbraw/zinc/12/05/52/1072120552.db2.gz PTMIDXKMFLHGOF-GMAHTHKFSA-N 1 2 444.532 0.494 20 0 ICADLO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)C2=O)cc1 ZINC001584882007 1072120506 /nfs/dbraw/zinc/12/05/06/1072120506.db2.gz PTMIDXKMFLHGOF-JTHBVZDNSA-N 1 2 444.532 0.494 20 0 ICADLO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)C2=O)cc1 ZINC001584882007 1072120504 /nfs/dbraw/zinc/12/05/04/1072120504.db2.gz PTMIDXKMFLHGOF-JTHBVZDNSA-N 1 2 444.532 0.494 20 0 ICADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001584883999 1072120500 /nfs/dbraw/zinc/12/05/00/1072120500.db2.gz XGJJSBKUGCANRF-FDDCHVKYSA-N 1 2 433.524 0.949 20 0 ICADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001584883999 1072120499 /nfs/dbraw/zinc/12/04/99/1072120499.db2.gz XGJJSBKUGCANRF-FDDCHVKYSA-N 1 2 433.524 0.949 20 0 ICADLO 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ICADLO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001586247653 1072196681 /nfs/dbraw/zinc/19/66/81/1072196681.db2.gz BDHBMKJLPIQERB-UYAOXDASSA-N 1 2 430.505 0.744 20 0 ICADLO CO[C@@H]1C[C@@H](C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)N(C(=O)OCc2ccccc2)C1 ZINC001586247685 1072196721 /nfs/dbraw/zinc/19/67/21/1072196721.db2.gz BZWZMEIQQUVVIJ-HKBOAZHASA-N 1 2 447.532 0.972 20 0 ICADLO CO[C@@H]1C[C@@H](C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)N(C(=O)OCc2ccccc2)C1 ZINC001586247686 1072196809 /nfs/dbraw/zinc/19/68/09/1072196809.db2.gz BZWZMEIQQUVVIJ-NJYVYQBISA-N 1 2 447.532 0.972 20 0 ICADLO CS(=O)(=O)c1ccc(OCCCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001586247945 1072196700 /nfs/dbraw/zinc/19/67/00/1072196700.db2.gz GFMJSNSEAZNIGY-GOSISDBHSA-N 1 2 426.535 0.809 20 0 ICADLO CS(=O)(=O)c1ccc(OCCCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC001586247947 1072196638 /nfs/dbraw/zinc/19/66/38/1072196638.db2.gz GFMJSNSEAZNIGY-SFHVURJKSA-N 1 2 426.535 0.809 20 0 ICADLO CSCC[C@@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)N1C(=O)c2ccccc2C1=O ZINC001586248116 1072197296 /nfs/dbraw/zinc/19/72/96/1072197296.db2.gz HSJGHXFTLGBSGY-APWZRJJASA-N 1 2 447.557 0.964 20 0 ICADLO CSCC[C@@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)N1C(=O)c2ccccc2C1=O ZINC001586248117 1072197155 /nfs/dbraw/zinc/19/71/55/1072197155.db2.gz HSJGHXFTLGBSGY-LPHOPBHVSA-N 1 2 447.557 0.964 20 0 ICADLO CSCC[C@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)N1C(=O)c2ccccc2C1=O ZINC001586248118 1072197390 /nfs/dbraw/zinc/19/73/90/1072197390.db2.gz HSJGHXFTLGBSGY-QFBILLFUSA-N 1 2 447.557 0.964 20 0 ICADLO CSCC[C@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)N1C(=O)c2ccccc2C1=O ZINC001586248119 1072197207 /nfs/dbraw/zinc/19/72/07/1072197207.db2.gz HSJGHXFTLGBSGY-VQIMIIECSA-N 1 2 447.557 0.964 20 0 ICADLO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001586248345 1072197174 /nfs/dbraw/zinc/19/71/74/1072197174.db2.gz KRMUMJUJQKVVMW-GOSISDBHSA-N 1 2 434.537 0.163 20 0 ICADLO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001586248346 1072197256 /nfs/dbraw/zinc/19/72/56/1072197256.db2.gz KRMUMJUJQKVVMW-SFHVURJKSA-N 1 2 434.537 0.163 20 0 ICADLO O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001586248368 1072197325 /nfs/dbraw/zinc/19/73/25/1072197325.db2.gz LBBRETGFVYHWDD-GOSISDBHSA-N 1 2 438.550 0.042 20 0 ICADLO O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001586248369 1072197127 /nfs/dbraw/zinc/19/71/27/1072197127.db2.gz LBBRETGFVYHWDD-SFHVURJKSA-N 1 2 438.550 0.042 20 0 ICADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001586248577 1072197341 /nfs/dbraw/zinc/19/73/41/1072197341.db2.gz NOJFUNIXBGPDNV-GOSISDBHSA-N 1 2 441.475 0.805 20 0 ICADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC001586248579 1072197358 /nfs/dbraw/zinc/19/73/58/1072197358.db2.gz NOJFUNIXBGPDNV-SFHVURJKSA-N 1 2 441.475 0.805 20 0 ICADLO CN(CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)C(=O)c1ccc(Br)o1 ZINC001586248581 1072197140 /nfs/dbraw/zinc/19/71/40/1072197140.db2.gz NPBBRMRNIJKLGC-CYBMUJFWSA-N 1 2 430.299 0.674 20 0 ICADLO CN(CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)C(=O)c1ccc(Br)o1 ZINC001586248583 1072197405 /nfs/dbraw/zinc/19/74/05/1072197405.db2.gz NPBBRMRNIJKLGC-ZDUSSCGKSA-N 1 2 430.299 0.674 20 0 ICADLO C[C@]1(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001586249373 1072197224 /nfs/dbraw/zinc/19/72/24/1072197224.db2.gz VSLJZTYZQAFWGR-MIZPHKNDSA-N 1 2 447.532 0.708 20 0 ICADLO C[C@]1(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001586249374 1072197243 /nfs/dbraw/zinc/19/72/43/1072197243.db2.gz VSLJZTYZQAFWGR-SXWKCWPCSA-N 1 2 447.532 0.708 20 0 ICADLO C[C@]1(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001586249375 1072197370 /nfs/dbraw/zinc/19/73/70/1072197370.db2.gz VSLJZTYZQAFWGR-TXTKFYIRSA-N 1 2 447.532 0.708 20 0 ICADLO C[C@]1(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001586249376 1072197819 /nfs/dbraw/zinc/19/78/19/1072197819.db2.gz VSLJZTYZQAFWGR-ZRCGQRJVSA-N 1 2 447.532 0.708 20 0 ICADLO CC(C)(C)OC(=O)N1CCC(OCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC001586249385 1072197887 /nfs/dbraw/zinc/19/78/87/1072197887.db2.gz WDBGJDMENFYPGC-GOSISDBHSA-N 1 2 427.542 0.962 20 0 ICADLO CC(C)(C)OC(=O)N1CCC(OCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC001586249386 1072197799 /nfs/dbraw/zinc/19/77/99/1072197799.db2.gz WDBGJDMENFYPGC-SFHVURJKSA-N 1 2 427.542 0.962 20 0 ICADLO COc1cc(C(=O)NCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc(OC)c1OC ZINC001586249444 1072197917 /nfs/dbraw/zinc/19/79/17/1072197917.db2.gz XIRFCYJMRULWTB-INIZCTEOSA-N 1 2 437.493 0.002 20 0 ICADLO COc1cc(C(=O)NCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc(OC)c1OC ZINC001586249445 1072197806 /nfs/dbraw/zinc/19/78/06/1072197806.db2.gz XIRFCYJMRULWTB-MRXNPFEDSA-N 1 2 437.493 0.002 20 0 ICADLO C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001586249598 1072197963 /nfs/dbraw/zinc/19/79/63/1072197963.db2.gz YMLFYKSCDOFHQJ-GAJHUEQPSA-N 1 2 431.533 0.621 20 0 ICADLO C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001586249599 1072197785 /nfs/dbraw/zinc/19/77/85/1072197785.db2.gz YMLFYKSCDOFHQJ-HXOBKFHXSA-N 1 2 431.533 0.621 20 0 ICADLO C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001586249600 1072197842 /nfs/dbraw/zinc/19/78/42/1072197842.db2.gz YMLFYKSCDOFHQJ-SBUREZEXSA-N 1 2 431.533 0.621 20 0 ICADLO C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001586249601 1072197992 /nfs/dbraw/zinc/19/79/92/1072197992.db2.gz YMLFYKSCDOFHQJ-UZUQRXQVSA-N 1 2 431.533 0.621 20 0 ICADLO CN(CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)S(=O)(=O)c1ccc(F)cc1 ZINC001586380208 1072203709 /nfs/dbraw/zinc/20/37/09/1072203709.db2.gz XVKZPASKXCIZBP-AEFFLSMTSA-N 1 2 429.514 0.442 20 0 ICADLO CCOC1CC(CNC(=O)CCOC(=O)CNC(=O)C(C)(C)C)([NH+]2CCOCC2)C1 ZINC001586428229 1072205420 /nfs/dbraw/zinc/20/54/20/1072205420.db2.gz SFGBRBLRCRHPFB-UHFFFAOYSA-N 1 2 427.542 0.468 20 0 ICADLO COCCOc1cc(C(=O)OC)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001586490514 1072209167 /nfs/dbraw/zinc/20/91/67/1072209167.db2.gz ZLURTKHNPNQRCS-KRWDZBQOSA-N 1 2 449.504 0.618 20 0 ICADLO COCCOc1cc(C(=O)OC)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001586490515 1072209259 /nfs/dbraw/zinc/20/92/59/1072209259.db2.gz ZLURTKHNPNQRCS-QGZVFWFLSA-N 1 2 449.504 0.618 20 0 ICADLO COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)[C@H]3CN(C)CC[N@H+]3C)CC2=O)cc1OC ZINC001586534549 1072212976 /nfs/dbraw/zinc/21/29/76/1072212976.db2.gz LKYLVNCLXLYWFO-BHIYHBOVSA-N 1 2 432.565 0.845 20 0 ICADLO COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)[C@H]3CN(C)CC[N@@H+]3C)CC2=O)cc1OC ZINC001586534549 1072212964 /nfs/dbraw/zinc/21/29/64/1072212964.db2.gz LKYLVNCLXLYWFO-BHIYHBOVSA-N 1 2 432.565 0.845 20 0 ICADLO COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)[C@@H]3CN(C)CC[N@H+]3C)CC2=O)cc1OC ZINC001586534550 1072213025 /nfs/dbraw/zinc/21/30/25/1072213025.db2.gz LKYLVNCLXLYWFO-QRQLOZEOSA-N 1 2 432.565 0.845 20 0 ICADLO COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)[C@@H]3CN(C)CC[N@@H+]3C)CC2=O)cc1OC ZINC001586534550 1072213015 /nfs/dbraw/zinc/21/30/15/1072213015.db2.gz LKYLVNCLXLYWFO-QRQLOZEOSA-N 1 2 432.565 0.845 20 0 ICADLO COc1ccc(CCN2C[C@H](C(=O)N[C@@H](C)[C@H]3CN(C)CC[N@H+]3C)CC2=O)cc1OC ZINC001586534551 1072212671 /nfs/dbraw/zinc/21/26/71/1072212671.db2.gz LKYLVNCLXLYWFO-QXAKKESOSA-N 1 2 432.565 0.845 20 0 ICADLO COc1ccc(CCN2C[C@H](C(=O)N[C@@H](C)[C@H]3CN(C)CC[N@@H+]3C)CC2=O)cc1OC ZINC001586534551 1072212660 /nfs/dbraw/zinc/21/26/60/1072212660.db2.gz LKYLVNCLXLYWFO-QXAKKESOSA-N 1 2 432.565 0.845 20 0 ICADLO COc1ccc(CCN2C[C@H](C(=O)N[C@@H](C)[C@@H]3CN(C)CC[N@H+]3C)CC2=O)cc1OC ZINC001586534552 1072212717 /nfs/dbraw/zinc/21/27/17/1072212717.db2.gz LKYLVNCLXLYWFO-UHOSZYNNSA-N 1 2 432.565 0.845 20 0 ICADLO COc1ccc(CCN2C[C@H](C(=O)N[C@@H](C)[C@@H]3CN(C)CC[N@@H+]3C)CC2=O)cc1OC ZINC001586534552 1072212712 /nfs/dbraw/zinc/21/27/12/1072212712.db2.gz LKYLVNCLXLYWFO-UHOSZYNNSA-N 1 2 432.565 0.845 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC001586552044 1072215978 /nfs/dbraw/zinc/21/59/78/1072215978.db2.gz CFFYAYBSJPOUHQ-MSOLQXFVSA-N 1 2 439.582 0.205 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC001586552044 1072215970 /nfs/dbraw/zinc/21/59/70/1072215970.db2.gz CFFYAYBSJPOUHQ-MSOLQXFVSA-N 1 2 439.582 0.205 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC001586552046 1072216153 /nfs/dbraw/zinc/21/61/53/1072216153.db2.gz CFFYAYBSJPOUHQ-QZTJIDSGSA-N 1 2 439.582 0.205 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC001586552046 1072216147 /nfs/dbraw/zinc/21/61/47/1072216147.db2.gz CFFYAYBSJPOUHQ-QZTJIDSGSA-N 1 2 439.582 0.205 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC001586552049 1072216042 /nfs/dbraw/zinc/21/60/42/1072216042.db2.gz CFFYAYBSJPOUHQ-ROUUACIJSA-N 1 2 439.582 0.205 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC001586552049 1072216033 /nfs/dbraw/zinc/21/60/33/1072216033.db2.gz CFFYAYBSJPOUHQ-ROUUACIJSA-N 1 2 439.582 0.205 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC001586552051 1072216095 /nfs/dbraw/zinc/21/60/95/1072216095.db2.gz CFFYAYBSJPOUHQ-ZWKOTPCHSA-N 1 2 439.582 0.205 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC001586552051 1072216091 /nfs/dbraw/zinc/21/60/91/1072216091.db2.gz CFFYAYBSJPOUHQ-ZWKOTPCHSA-N 1 2 439.582 0.205 20 0 ICADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cn1C ZINC001586614327 1072222326 /nfs/dbraw/zinc/22/23/26/1072222326.db2.gz ONOOHXYZXOQGGY-UHFFFAOYSA-N 1 2 430.534 0.833 20 0 ICADLO COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)NCC[N@H+]3CC[C@H](O)C3)c2)cc1 ZINC001586617977 1072222780 /nfs/dbraw/zinc/22/27/80/1072222780.db2.gz XOIDBMDXBVMQMA-HNNXBMFYSA-N 1 2 435.502 0.998 20 0 ICADLO COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)NCC[N@@H+]3CC[C@H](O)C3)c2)cc1 ZINC001586617977 1072222778 /nfs/dbraw/zinc/22/27/78/1072222778.db2.gz XOIDBMDXBVMQMA-HNNXBMFYSA-N 1 2 435.502 0.998 20 0 ICADLO COc1cccc([C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC[NH2+]2)c1 ZINC001586629721 1072223695 /nfs/dbraw/zinc/22/36/95/1072223695.db2.gz AJVICPCWKPTQJB-PMACEKPBSA-N 1 2 442.491 0.910 20 0 ICADLO COc1cccc([C@@H]2CN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC[NH2+]2)c1 ZINC001586629723 1072223824 /nfs/dbraw/zinc/22/38/24/1072223824.db2.gz AJVICPCWKPTQJB-UXHICEINSA-N 1 2 442.491 0.910 20 0 ICADLO COc1cccc([C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC[NH2+]2)c1 ZINC001586629725 1072223715 /nfs/dbraw/zinc/22/37/15/1072223715.db2.gz AJVICPCWKPTQJB-VQTJNVASSA-N 1 2 442.491 0.910 20 0 ICADLO COc1cccc([C@H]2CN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC[NH2+]2)c1 ZINC001586629727 1072223811 /nfs/dbraw/zinc/22/38/11/1072223811.db2.gz AJVICPCWKPTQJB-WOJBJXKFSA-N 1 2 442.491 0.910 20 0 ICADLO Cn1cc([C@H]2CN(C(=O)c3cc(S(N)(=O)=O)c(Br)s3)CC[NH2+]2)cn1 ZINC001586675376 1072225226 /nfs/dbraw/zinc/22/52/26/1072225226.db2.gz HDEGWYAMFJZUKB-SECBINFHSA-N 1 2 434.341 0.678 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)c(Br)s3)CC[NH2+]2)cn1 ZINC001586675377 1072225631 /nfs/dbraw/zinc/22/56/31/1072225631.db2.gz HDEGWYAMFJZUKB-VIFPVBQESA-N 1 2 434.341 0.678 20 0 ICADLO Cn1cc([C@@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[NH2+]2)cn1 ZINC001586675511 1072225760 /nfs/dbraw/zinc/22/57/60/1072225760.db2.gz IDHUXYDCTSJSCL-FQEVSTJZSA-N 1 2 426.521 0.847 20 0 ICADLO Cn1cc([C@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[NH2+]2)cn1 ZINC001586675513 1072225905 /nfs/dbraw/zinc/22/59/05/1072225905.db2.gz IDHUXYDCTSJSCL-HXUWFJFHSA-N 1 2 426.521 0.847 20 0 ICADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)C1=O ZINC001586675879 1072225741 /nfs/dbraw/zinc/22/57/41/1072225741.db2.gz NXAPIOGGQPZTML-HTAPYJJXSA-N 1 2 440.504 0.677 20 0 ICADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)C1=O ZINC001586675880 1072225720 /nfs/dbraw/zinc/22/57/20/1072225720.db2.gz NXAPIOGGQPZTML-JTSKRJEESA-N 1 2 440.504 0.677 20 0 ICADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)C1=O ZINC001586675881 1072225840 /nfs/dbraw/zinc/22/58/40/1072225840.db2.gz NXAPIOGGQPZTML-VGOFRKELSA-N 1 2 440.504 0.677 20 0 ICADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)C1=O ZINC001586675882 1072225969 /nfs/dbraw/zinc/22/59/69/1072225969.db2.gz NXAPIOGGQPZTML-VGSWGCGISA-N 1 2 440.504 0.677 20 0 ICADLO COc1cc(N2C[C@H](C(=O)N3CC[NH2+][C@H](c4cnn(C)c4)C3)CC2=O)cc(OC)c1OC ZINC001586676153 1072225821 /nfs/dbraw/zinc/22/58/21/1072225821.db2.gz VFRZZZIPAWLVPQ-PBHICJAKSA-N 1 2 443.504 0.972 20 0 ICADLO COc1cc(N2C[C@H](C(=O)N3CC[NH2+][C@@H](c4cnn(C)c4)C3)CC2=O)cc(OC)c1OC ZINC001586676157 1072225997 /nfs/dbraw/zinc/22/59/97/1072225997.db2.gz VFRZZZIPAWLVPQ-RHSMWYFYSA-N 1 2 443.504 0.972 20 0 ICADLO COc1cc(N2C[C@@H](C(=O)N3CC[NH2+][C@@H](c4cnn(C)c4)C3)CC2=O)cc(OC)c1OC ZINC001586676159 1072225868 /nfs/dbraw/zinc/22/58/68/1072225868.db2.gz VFRZZZIPAWLVPQ-WMLDXEAASA-N 1 2 443.504 0.972 20 0 ICADLO COc1cc(N2C[C@@H](C(=O)N3CC[NH2+][C@H](c4cnn(C)c4)C3)CC2=O)cc(OC)c1OC ZINC001586676161 1072225777 /nfs/dbraw/zinc/22/57/77/1072225777.db2.gz VFRZZZIPAWLVPQ-YOEHRIQHSA-N 1 2 443.504 0.972 20 0 ICADLO COc1ccc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001586676262 1072225792 /nfs/dbraw/zinc/22/57/92/1072225792.db2.gz XKZUFHCVJRVQBT-KRWDZBQOSA-N 1 2 449.533 0.236 20 0 ICADLO COc1ccc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001586676263 1072226279 /nfs/dbraw/zinc/22/62/79/1072226279.db2.gz XKZUFHCVJRVQBT-QGZVFWFLSA-N 1 2 449.533 0.236 20 0 ICADLO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccc3n[nH]c(=S)n3c2)CC1 ZINC001586684142 1072226349 /nfs/dbraw/zinc/22/63/49/1072226349.db2.gz RROOWHQPGLFTNZ-UHFFFAOYSA-N 1 2 432.550 0.709 20 0 ICADLO CN(CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC001586685517 1072226454 /nfs/dbraw/zinc/22/64/54/1072226454.db2.gz CZXFCTAJXWPYHA-HNNXBMFYSA-N 1 2 442.339 0.966 20 0 ICADLO CN(CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC001586685525 1072226479 /nfs/dbraw/zinc/22/64/79/1072226479.db2.gz CZXFCTAJXWPYHA-OAHLLOKOSA-N 1 2 442.339 0.966 20 0 ICADLO COc1ccc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001586685939 1072226541 /nfs/dbraw/zinc/22/65/41/1072226541.db2.gz JQRJUSGYPWNALU-INIZCTEOSA-N 1 2 435.506 0.226 20 0 ICADLO COc1ccc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001586685940 1072226530 /nfs/dbraw/zinc/22/65/30/1072226530.db2.gz JQRJUSGYPWNALU-MRXNPFEDSA-N 1 2 435.506 0.226 20 0 ICADLO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[NH2+][C@H](c4cn[nH]c4)C3)CC2)c1 ZINC001586686162 1072227076 /nfs/dbraw/zinc/22/70/76/1072227076.db2.gz PQYGTPLUDRVAOV-IBGZPJMESA-N 1 2 432.550 0.343 20 0 ICADLO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[NH2+][C@@H](c4cn[nH]c4)C3)CC2)c1 ZINC001586686163 1072226959 /nfs/dbraw/zinc/22/69/59/1072226959.db2.gz PQYGTPLUDRVAOV-LJQANCHMSA-N 1 2 432.550 0.343 20 0 ICADLO COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001586738295 1072228897 /nfs/dbraw/zinc/22/88/97/1072228897.db2.gz UFCXZCLSCPGYMM-KRWDZBQOSA-N 1 2 446.529 0.790 20 0 ICADLO COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001586738297 1072228970 /nfs/dbraw/zinc/22/89/70/1072228970.db2.gz UFCXZCLSCPGYMM-QGZVFWFLSA-N 1 2 446.529 0.790 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(C)(C)C1 ZINC001586754127 1072228959 /nfs/dbraw/zinc/22/89/59/1072228959.db2.gz IHXPPDPADJGLSC-DLBZAZTESA-N 1 2 438.569 0.929 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(C)(C)C1 ZINC001586754128 1072228925 /nfs/dbraw/zinc/22/89/25/1072228925.db2.gz IHXPPDPADJGLSC-IAGOWNOFSA-N 1 2 438.569 0.929 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(C)(C)C1 ZINC001586754129 1072229029 /nfs/dbraw/zinc/22/90/29/1072229029.db2.gz IHXPPDPADJGLSC-IRXDYDNUSA-N 1 2 438.569 0.929 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(C)(C)C1 ZINC001586754130 1072228988 /nfs/dbraw/zinc/22/89/88/1072228988.db2.gz IHXPPDPADJGLSC-SJORKVTESA-N 1 2 438.569 0.929 20 0 ICADLO CC(C)[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1Cc2ccccc2C1=O ZINC001586754212 1072229045 /nfs/dbraw/zinc/22/90/45/1072229045.db2.gz KSPXWWISYFFVTJ-NQIIRXRSSA-N 1 2 428.533 0.716 20 0 ICADLO CC(C)[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1Cc2ccccc2C1=O ZINC001586754213 1072228935 /nfs/dbraw/zinc/22/89/35/1072228935.db2.gz KSPXWWISYFFVTJ-RXVVDRJESA-N 1 2 428.533 0.716 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001586754357 1072229090 /nfs/dbraw/zinc/22/90/90/1072229090.db2.gz LYHLVTPMZDVQIO-KBPBESRZSA-N 1 2 429.443 0.829 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001586754358 1072229629 /nfs/dbraw/zinc/22/96/29/1072229629.db2.gz LYHLVTPMZDVQIO-KGLIPLIRSA-N 1 2 429.443 0.829 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001586754359 1072229834 /nfs/dbraw/zinc/22/98/34/1072229834.db2.gz LYHLVTPMZDVQIO-UONOGXRCSA-N 1 2 429.443 0.829 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001586754360 1072229641 /nfs/dbraw/zinc/22/96/41/1072229641.db2.gz LYHLVTPMZDVQIO-ZIAGYGMSSA-N 1 2 429.443 0.829 20 0 ICADLO CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001586754394 1072229518 /nfs/dbraw/zinc/22/95/18/1072229518.db2.gz NBJCWULVCMBCET-AWEZNQCLSA-N 1 2 434.484 0.586 20 0 ICADLO CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001586754395 1072229697 /nfs/dbraw/zinc/22/96/97/1072229697.db2.gz NBJCWULVCMBCET-CQSZACIVSA-N 1 2 434.484 0.586 20 0 ICADLO CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001586754573 1072229791 /nfs/dbraw/zinc/22/97/91/1072229791.db2.gz PXTMIPHLDULFPH-IRXDYDNUSA-N 1 2 442.557 0.354 20 0 ICADLO CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001586754574 1072229842 /nfs/dbraw/zinc/22/98/42/1072229842.db2.gz PXTMIPHLDULFPH-SJORKVTESA-N 1 2 442.557 0.354 20 0 ICADLO CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001586754835 1072229540 /nfs/dbraw/zinc/22/95/40/1072229540.db2.gz SYAHAQVESTVEOA-AWEZNQCLSA-N 1 2 444.941 0.374 20 0 ICADLO CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001586754840 1072229820 /nfs/dbraw/zinc/22/98/20/1072229820.db2.gz SYAHAQVESTVEOA-CQSZACIVSA-N 1 2 444.941 0.374 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc(Br)c2ccccn21 ZINC001586755067 1072229584 /nfs/dbraw/zinc/22/95/84/1072229584.db2.gz XARYUPRDMBHUMZ-CYBMUJFWSA-N 1 2 436.310 0.760 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc(Br)c2ccccn21 ZINC001586755068 1072229852 /nfs/dbraw/zinc/22/98/52/1072229852.db2.gz XARYUPRDMBHUMZ-ZDUSSCGKSA-N 1 2 436.310 0.760 20 0 ICADLO Cn1cc(CNc2ccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)cn1 ZINC001586755106 1072229807 /nfs/dbraw/zinc/22/98/07/1072229807.db2.gz XFDLXEIHFDEZAY-FQEVSTJZSA-N 1 2 426.521 0.695 20 0 ICADLO Cn1cc(CNc2ccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)cn1 ZINC001586755108 1072229676 /nfs/dbraw/zinc/22/96/76/1072229676.db2.gz XFDLXEIHFDEZAY-HXUWFJFHSA-N 1 2 426.521 0.695 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001586755110 1072230209 /nfs/dbraw/zinc/23/02/09/1072230209.db2.gz XFHYAPGEAOTOLF-AZUAARDMSA-N 1 2 446.523 0.266 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001586755112 1072230413 /nfs/dbraw/zinc/23/04/13/1072230413.db2.gz XFHYAPGEAOTOLF-ICSRJNTNSA-N 1 2 446.523 0.266 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001586755114 1072230307 /nfs/dbraw/zinc/23/03/07/1072230307.db2.gz XFHYAPGEAOTOLF-QUCCMNQESA-N 1 2 446.523 0.266 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001586755115 1072230432 /nfs/dbraw/zinc/23/04/32/1072230432.db2.gz XFHYAPGEAOTOLF-UYAOXDASSA-N 1 2 446.523 0.266 20 0 ICADLO Nc1cc(Br)cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1N ZINC001586755190 1072230242 /nfs/dbraw/zinc/23/02/42/1072230242.db2.gz YEDATJBYUXXARR-GFCCVEGCSA-N 1 2 426.315 0.276 20 0 ICADLO Nc1cc(Br)cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1N ZINC001586755199 1072230340 /nfs/dbraw/zinc/23/03/40/1072230340.db2.gz YEDATJBYUXXARR-LBPRGKRZSA-N 1 2 426.315 0.276 20 0 ICADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)CC2)cc1 ZINC001586863886 1072236296 /nfs/dbraw/zinc/23/62/96/1072236296.db2.gz AIPOJNZFRRVTLP-UHFFFAOYSA-N 1 2 433.534 0.706 20 0 ICADLO CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001586878531 1072237149 /nfs/dbraw/zinc/23/71/49/1072237149.db2.gz QWUQPZMZEXMQCK-CVEARBPZSA-N 1 2 431.942 0.056 20 0 ICADLO CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001586878531 1072237146 /nfs/dbraw/zinc/23/71/46/1072237146.db2.gz QWUQPZMZEXMQCK-CVEARBPZSA-N 1 2 431.942 0.056 20 0 ICADLO CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001586878532 1072237083 /nfs/dbraw/zinc/23/70/83/1072237083.db2.gz QWUQPZMZEXMQCK-HZPDHXFCSA-N 1 2 431.942 0.056 20 0 ICADLO CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001586878532 1072237077 /nfs/dbraw/zinc/23/70/77/1072237077.db2.gz QWUQPZMZEXMQCK-HZPDHXFCSA-N 1 2 431.942 0.056 20 0 ICADLO CNS(=O)(=O)NCC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001586951871 1072241208 /nfs/dbraw/zinc/24/12/08/1072241208.db2.gz DRPBPWRYXSERPM-UHFFFAOYSA-N 1 2 432.546 0.964 20 0 ICADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1nnc(C2CCOCC2)[nH]1 ZINC001586956519 1072241483 /nfs/dbraw/zinc/24/14/83/1072241483.db2.gz QKFBKGRIHIPIHA-UHFFFAOYSA-N 1 2 427.509 0.839 20 0 ICADLO CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1=O ZINC001587075069 1072250165 /nfs/dbraw/zinc/25/01/65/1072250165.db2.gz VTLRXWZRUJSWJA-INIZCTEOSA-N 1 2 426.558 0.977 20 0 ICADLO CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1=O ZINC001587075070 1072250147 /nfs/dbraw/zinc/25/01/47/1072250147.db2.gz VTLRXWZRUJSWJA-MRXNPFEDSA-N 1 2 426.558 0.977 20 0 ICADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC001587083047 1072250649 /nfs/dbraw/zinc/25/06/49/1072250649.db2.gz MWIZCLVDCRBFJC-UHFFFAOYSA-N 1 2 434.356 0.945 20 0 ICADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cccn3CC[NH+]3CCOCC3)cn2)C[C@H](C)O1 ZINC001587247209 1072259066 /nfs/dbraw/zinc/25/90/66/1072259066.db2.gz KJFFTVHBQVPBST-HDICACEKSA-N 1 2 444.536 0.905 20 0 ICADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cccn3CC[NH+]3CCOCC3)cn2)C[C@@H](C)O1 ZINC001587247210 1072259086 /nfs/dbraw/zinc/25/90/86/1072259086.db2.gz KJFFTVHBQVPBST-QZTJIDSGSA-N 1 2 444.536 0.905 20 0 ICADLO C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3cccn3CC[NH+]3CCOCC3)cn2)C[C@H](C)O1 ZINC001587247211 1072259124 /nfs/dbraw/zinc/25/91/24/1072259124.db2.gz KJFFTVHBQVPBST-ROUUACIJSA-N 1 2 444.536 0.905 20 0 ICADLO COC1CC[NH+](CCNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 ZINC001587277286 1072261128 /nfs/dbraw/zinc/26/11/28/1072261128.db2.gz AIYPMTLBYRJUAB-FOIQADDNSA-N 1 2 445.582 0.495 20 0 ICADLO COc1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC001587409729 1072265817 /nfs/dbraw/zinc/26/58/17/1072265817.db2.gz WMBQGSLNGKPFHF-NRFANRHFSA-N 1 2 449.529 0.885 20 0 ICADLO COc1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC001587409730 1072265837 /nfs/dbraw/zinc/26/58/37/1072265837.db2.gz WMBQGSLNGKPFHF-OAQYLSRUSA-N 1 2 449.529 0.885 20 0 ICADLO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2)C1 ZINC001587452086 1072269280 /nfs/dbraw/zinc/26/92/80/1072269280.db2.gz OFFSWBJNJAYNRM-BURNTYAHSA-N 1 2 436.597 0.515 20 0 ICADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2)C1 ZINC001587452087 1072269410 /nfs/dbraw/zinc/26/94/10/1072269410.db2.gz OFFSWBJNJAYNRM-MHTWAQMVSA-N 1 2 436.597 0.515 20 0 ICADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2)C1 ZINC001587452088 1072269198 /nfs/dbraw/zinc/26/91/98/1072269198.db2.gz OFFSWBJNJAYNRM-NCYKPQTJSA-N 1 2 436.597 0.515 20 0 ICADLO Cc1cc(N2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)nc(C(C)C)[nH+]1 ZINC001587452473 1072269716 /nfs/dbraw/zinc/26/97/16/1072269716.db2.gz XAFZZQANSPWUJS-INIZCTEOSA-N 1 2 430.484 0.882 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C2)c1 ZINC001587493902 1072272060 /nfs/dbraw/zinc/27/20/60/1072272060.db2.gz OCHITGUJRQDNCT-GOSISDBHSA-N 1 2 434.537 0.953 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C2)c1 ZINC001587493902 1072272050 /nfs/dbraw/zinc/27/20/50/1072272050.db2.gz OCHITGUJRQDNCT-GOSISDBHSA-N 1 2 434.537 0.953 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C2)c1 ZINC001587493903 1072271956 /nfs/dbraw/zinc/27/19/56/1072271956.db2.gz OCHITGUJRQDNCT-SFHVURJKSA-N 1 2 434.537 0.953 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C2)c1 ZINC001587493903 1072271944 /nfs/dbraw/zinc/27/19/44/1072271944.db2.gz OCHITGUJRQDNCT-SFHVURJKSA-N 1 2 434.537 0.953 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C2)cc1 ZINC001587511305 1072273049 /nfs/dbraw/zinc/27/30/49/1072273049.db2.gz XKVDKODZYDFLPP-GOSISDBHSA-N 1 2 434.537 0.953 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C2)cc1 ZINC001587511305 1072273041 /nfs/dbraw/zinc/27/30/41/1072273041.db2.gz XKVDKODZYDFLPP-GOSISDBHSA-N 1 2 434.537 0.953 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C2)cc1 ZINC001587511306 1072273128 /nfs/dbraw/zinc/27/31/28/1072273128.db2.gz XKVDKODZYDFLPP-SFHVURJKSA-N 1 2 434.537 0.953 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C2)cc1 ZINC001587511306 1072273120 /nfs/dbraw/zinc/27/31/20/1072273120.db2.gz XKVDKODZYDFLPP-SFHVURJKSA-N 1 2 434.537 0.953 20 0 ICADLO COC1(C(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)CS(=O)(=O)C1 ZINC001587513848 1072273546 /nfs/dbraw/zinc/27/35/46/1072273546.db2.gz CZFAJWKEQNHMIE-UHFFFAOYSA-N 1 2 437.562 0.288 20 0 ICADLO C[NH+]1CCN(C2CCN(C(=O)CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001587537888 1072274303 /nfs/dbraw/zinc/27/43/03/1072274303.db2.gz LEWIJCRLQMYHHK-GOSISDBHSA-N 1 2 437.585 0.741 20 0 ICADLO C[NH+]1CCN(C2CCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001587537889 1072274636 /nfs/dbraw/zinc/27/46/36/1072274636.db2.gz LEWIJCRLQMYHHK-SFHVURJKSA-N 1 2 437.585 0.741 20 0 ICADLO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC001587537890 1072274675 /nfs/dbraw/zinc/27/46/75/1072274675.db2.gz LFOXZESLVFZBQA-UHFFFAOYSA-N 1 2 437.566 0.162 20 0 ICADLO C[NH+]1CCN(C2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)CC1 ZINC001587538672 1072274433 /nfs/dbraw/zinc/27/44/33/1072274433.db2.gz XFBLJLBFDUEZQL-UHFFFAOYSA-N 1 2 425.533 0.297 20 0 ICADLO CCOc1ccc(C[NH+]2CCN(C(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)CC2)cc1 ZINC001587628706 1072279309 /nfs/dbraw/zinc/27/93/09/1072279309.db2.gz AYRYFJSXGRFNPD-UHFFFAOYSA-N 1 2 429.477 0.181 20 0 ICADLO CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC001587655284 1072281702 /nfs/dbraw/zinc/28/17/02/1072281702.db2.gz XRHDDNDELXVUFW-DLBZAZTESA-N 1 2 428.327 0.778 20 0 ICADLO CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC001587655286 1072281370 /nfs/dbraw/zinc/28/13/70/1072281370.db2.gz XRHDDNDELXVUFW-IAGOWNOFSA-N 1 2 428.327 0.778 20 0 ICADLO CC(=O)N[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC001587655288 1072281457 /nfs/dbraw/zinc/28/14/57/1072281457.db2.gz XRHDDNDELXVUFW-IRXDYDNUSA-N 1 2 428.327 0.778 20 0 ICADLO CC(=O)N[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC001587655289 1072281684 /nfs/dbraw/zinc/28/16/84/1072281684.db2.gz XRHDDNDELXVUFW-SJORKVTESA-N 1 2 428.327 0.778 20 0 ICADLO CO[C@@H]1C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)N(C(=O)OCc2ccccc2)C1 ZINC001587655372 1072281478 /nfs/dbraw/zinc/28/14/78/1072281478.db2.gz YIDKYAHLHSJVCL-VAMGGRTRSA-N 1 2 435.521 0.564 20 0 ICADLO CO[C@@H]1C[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)N(C(=O)OCc2ccccc2)C1 ZINC001587655373 1072281664 /nfs/dbraw/zinc/28/16/64/1072281664.db2.gz YIDKYAHLHSJVCL-XUVXKRRUSA-N 1 2 435.521 0.564 20 0 ICADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1 ZINC001587655516 1072281715 /nfs/dbraw/zinc/28/17/15/1072281715.db2.gz ZTBYTGIVHZCPID-GOSISDBHSA-N 1 2 440.972 0.849 20 0 ICADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1 ZINC001587655518 1072281518 /nfs/dbraw/zinc/28/15/18/1072281518.db2.gz ZTBYTGIVHZCPID-SFHVURJKSA-N 1 2 440.972 0.849 20 0 ICADLO Cc1cc(NC(=O)CN2CCN(C(=O)c3cccn3CC[NH+]3CCOCC3)CC2)no1 ZINC001587712313 1072284497 /nfs/dbraw/zinc/28/44/97/1072284497.db2.gz OJTGPHQUDKZQRP-UHFFFAOYSA-N 1 2 430.509 0.513 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001587728037 1072286178 /nfs/dbraw/zinc/28/61/78/1072286178.db2.gz HKLZFYDNEJBPBX-UHFFFAOYSA-N 1 2 437.545 0.477 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001587728037 1072286168 /nfs/dbraw/zinc/28/61/68/1072286168.db2.gz HKLZFYDNEJBPBX-UHFFFAOYSA-N 1 2 437.545 0.477 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)CC1 ZINC001587728219 1072286004 /nfs/dbraw/zinc/28/60/04/1072286004.db2.gz NONLTGICNWZORG-IBGZPJMESA-N 1 2 432.521 0.694 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)CC1 ZINC001587728219 1072285993 /nfs/dbraw/zinc/28/59/93/1072285993.db2.gz NONLTGICNWZORG-IBGZPJMESA-N 1 2 432.521 0.694 20 0 ICADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)CC1 ZINC001587728220 1072286141 /nfs/dbraw/zinc/28/61/41/1072286141.db2.gz NONLTGICNWZORG-LJQANCHMSA-N 1 2 432.521 0.694 20 0 ICADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)CC1 ZINC001587728220 1072286131 /nfs/dbraw/zinc/28/61/31/1072286131.db2.gz NONLTGICNWZORG-LJQANCHMSA-N 1 2 432.521 0.694 20 0 ICADLO O=C(CCc1c[nH+]c[nH]1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001587742742 1072287046 /nfs/dbraw/zinc/28/70/46/1072287046.db2.gz NGKWQLJPKKARGE-UHFFFAOYSA-N 1 2 434.522 0.107 20 0 ICADLO O=C(CCc1c[nH]c[nH+]1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001587742742 1072287038 /nfs/dbraw/zinc/28/70/38/1072287038.db2.gz NGKWQLJPKKARGE-UHFFFAOYSA-N 1 2 434.522 0.107 20 0 ICADLO O=C(CCCn1cc[nH+]c1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001587742890 1072286881 /nfs/dbraw/zinc/28/68/81/1072286881.db2.gz SOIOTGMKZCQBIZ-UHFFFAOYSA-N 1 2 448.549 0.428 20 0 ICADLO Cc1[nH]c(CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)[nH+]c1C ZINC001587804904 1072289333 /nfs/dbraw/zinc/28/93/33/1072289333.db2.gz BALDLRJDWGYXOL-HNNXBMFYSA-N 1 2 428.536 0.425 20 0 ICADLO Cc1[nH]c(CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)[nH+]c1C ZINC001587804905 1072289224 /nfs/dbraw/zinc/28/92/24/1072289224.db2.gz BALDLRJDWGYXOL-OAHLLOKOSA-N 1 2 428.536 0.425 20 0 ICADLO Cc1[nH]c(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH+]c1C ZINC001587805001 1072289188 /nfs/dbraw/zinc/28/91/88/1072289188.db2.gz FOLJKARRRBJYON-UHFFFAOYSA-N 1 2 433.534 0.956 20 0 ICADLO O=C(CN1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1)NCc1ccccc1 ZINC001587820798 1072290420 /nfs/dbraw/zinc/29/04/20/1072290420.db2.gz UAACPQWFECLKIU-RTWAWAEBSA-N 1 2 430.549 0.327 20 0 ICADLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)ccc1Br ZINC001587874529 1072294703 /nfs/dbraw/zinc/29/47/03/1072294703.db2.gz HKDZFLPSXBRBOY-LBPRGKRZSA-N 1 2 431.312 0.756 20 0 ICADLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)ccc1Br ZINC001587874529 1072294692 /nfs/dbraw/zinc/29/46/92/1072294692.db2.gz HKDZFLPSXBRBOY-LBPRGKRZSA-N 1 2 431.312 0.756 20 0 ICADLO C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001587938838 1072296923 /nfs/dbraw/zinc/29/69/23/1072296923.db2.gz GBVOHXLOFMDHGB-HNNXBMFYSA-N 1 2 444.529 0.771 20 0 ICADLO C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001587938838 1072296914 /nfs/dbraw/zinc/29/69/14/1072296914.db2.gz GBVOHXLOFMDHGB-HNNXBMFYSA-N 1 2 444.529 0.771 20 0 ICADLO C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001587938839 1072297110 /nfs/dbraw/zinc/29/71/10/1072297110.db2.gz GBVOHXLOFMDHGB-OAHLLOKOSA-N 1 2 444.529 0.771 20 0 ICADLO C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001587938839 1072297099 /nfs/dbraw/zinc/29/70/99/1072297099.db2.gz GBVOHXLOFMDHGB-OAHLLOKOSA-N 1 2 444.529 0.771 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 ZINC001587955777 1072297592 /nfs/dbraw/zinc/29/75/92/1072297592.db2.gz KRQVHVRSZPMNKB-NEPJUHHUSA-N 1 2 432.428 0.235 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 ZINC001587955778 1072297453 /nfs/dbraw/zinc/29/74/53/1072297453.db2.gz KRQVHVRSZPMNKB-NWDGAFQWSA-N 1 2 432.428 0.235 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 ZINC001587955779 1072297535 /nfs/dbraw/zinc/29/75/35/1072297535.db2.gz KRQVHVRSZPMNKB-RYUDHWBXSA-N 1 2 432.428 0.235 20 0 ICADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 ZINC001587955780 1072297566 /nfs/dbraw/zinc/29/75/66/1072297566.db2.gz KRQVHVRSZPMNKB-VXGBXAGGSA-N 1 2 432.428 0.235 20 0 ICADLO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001588071521 1072313891 /nfs/dbraw/zinc/31/38/91/1072313891.db2.gz GFBXNLNYLUIUSV-UHFFFAOYSA-N 1 2 429.955 0.857 20 0 ICADLO COc1ccc(C(=O)CNC(=O)CCC(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC001588071892 1072314511 /nfs/dbraw/zinc/31/45/11/1072314511.db2.gz QDFLFTTYBLUAJP-UHFFFAOYSA-N 1 2 439.516 0.951 20 0 ICADLO NS(=O)(=O)c1cccc2c1ccnc2C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001588072036 1072314671 /nfs/dbraw/zinc/31/46/71/1072314671.db2.gz RNBAAONLJGLSAH-UHFFFAOYSA-N 1 2 426.502 0.673 20 0 ICADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC001588072054 1072314486 /nfs/dbraw/zinc/31/44/86/1072314486.db2.gz SBFHEXTXKWXZKP-UHFFFAOYSA-N 1 2 431.518 0.344 20 0 ICADLO CNC(=O)C[NH+]1CCC(NC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001588124282 1072319894 /nfs/dbraw/zinc/31/98/94/1072319894.db2.gz JBVMDGHPNCMASS-PMERELPUSA-N 1 2 444.598 0.461 20 0 ICADLO CNC(=O)C[NH+]1CCC(NC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001588124283 1072319691 /nfs/dbraw/zinc/31/96/91/1072319691.db2.gz JBVMDGHPNCMASS-SSEXGKCCSA-N 1 2 444.598 0.461 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC001588137841 1072321163 /nfs/dbraw/zinc/32/11/63/1072321163.db2.gz QLDCCIXVUGCJOL-KRWDZBQOSA-N 1 2 433.534 0.715 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC001588137841 1072321157 /nfs/dbraw/zinc/32/11/57/1072321157.db2.gz QLDCCIXVUGCJOL-KRWDZBQOSA-N 1 2 433.534 0.715 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC001588137842 1072321276 /nfs/dbraw/zinc/32/12/76/1072321276.db2.gz QLDCCIXVUGCJOL-QGZVFWFLSA-N 1 2 433.534 0.715 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC001588137842 1072321271 /nfs/dbraw/zinc/32/12/71/1072321271.db2.gz QLDCCIXVUGCJOL-QGZVFWFLSA-N 1 2 433.534 0.715 20 0 ICADLO CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC(=O)NCCO ZINC001588198677 1072324418 /nfs/dbraw/zinc/32/44/18/1072324418.db2.gz BSDTWGLTWAPTIT-SFHVURJKSA-N 1 2 445.520 0.592 20 0 ICADLO CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CC(O)C1 ZINC001588203611 1072325884 /nfs/dbraw/zinc/32/58/84/1072325884.db2.gz QADXGFNQBUIRTA-BATSVXPKSA-N 1 2 427.542 0.602 20 0 ICADLO CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CC(O)C1 ZINC001588203612 1072325951 /nfs/dbraw/zinc/32/59/51/1072325951.db2.gz QADXGFNQBUIRTA-BQIYRTECSA-N 1 2 427.542 0.602 20 0 ICADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001588280976 1072330389 /nfs/dbraw/zinc/33/03/89/1072330389.db2.gz HGWCSLNSGOYCLN-GOSISDBHSA-N 1 2 443.479 0.907 20 0 ICADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001588280978 1072330510 /nfs/dbraw/zinc/33/05/10/1072330510.db2.gz HGWCSLNSGOYCLN-SFHVURJKSA-N 1 2 443.479 0.907 20 0 ICADLO CN(CCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1cccc[nH+]1 ZINC001588309522 1072331429 /nfs/dbraw/zinc/33/14/29/1072331429.db2.gz SSLCKLLMJGDGLE-AEFFLSMTSA-N 1 2 436.509 0.987 20 0 ICADLO CN(CCCNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1cccc[nH+]1 ZINC001588316582 1072331903 /nfs/dbraw/zinc/33/19/03/1072331903.db2.gz CXHHFDVGQWEGTI-UHFFFAOYSA-N 1 2 439.925 0.755 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001588863765 1072344243 /nfs/dbraw/zinc/34/42/43/1072344243.db2.gz RYALSKJYAIRBBB-ILXRZTDVSA-N 1 2 427.489 0.122 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001588863766 1072344179 /nfs/dbraw/zinc/34/41/79/1072344179.db2.gz RYALSKJYAIRBBB-KFWWJZLASA-N 1 2 427.489 0.122 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001588863767 1072344353 /nfs/dbraw/zinc/34/43/53/1072344353.db2.gz RYALSKJYAIRBBB-QLFBSQMISA-N 1 2 427.489 0.122 20 0 ICADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001588863768 1072344276 /nfs/dbraw/zinc/34/42/76/1072344276.db2.gz RYALSKJYAIRBBB-RBSFLKMASA-N 1 2 427.489 0.122 20 0 ICADLO COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001589141606 1072352928 /nfs/dbraw/zinc/35/29/28/1072352928.db2.gz MHLKMDWRWFMTCR-HTAPYJJXSA-N 1 2 435.496 0.597 20 0 ICADLO COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001589141607 1072353042 /nfs/dbraw/zinc/35/30/42/1072353042.db2.gz MHLKMDWRWFMTCR-JTSKRJEESA-N 1 2 435.496 0.597 20 0 ICADLO COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001589141608 1072352949 /nfs/dbraw/zinc/35/29/49/1072352949.db2.gz MHLKMDWRWFMTCR-VGOFRKELSA-N 1 2 435.496 0.597 20 0 ICADLO COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001589141609 1072353163 /nfs/dbraw/zinc/35/31/63/1072353163.db2.gz MHLKMDWRWFMTCR-VGSWGCGISA-N 1 2 435.496 0.597 20 0 ICADLO CS(=O)(=O)c1nc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c2ccccn21 ZINC001589195579 1072353675 /nfs/dbraw/zinc/35/36/75/1072353675.db2.gz VBGXYMAKOGZHOR-UHFFFAOYSA-N 1 2 433.534 0.684 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001589370977 1072354736 /nfs/dbraw/zinc/35/47/36/1072354736.db2.gz IBKIYQZYUZMLKD-HNNXBMFYSA-N 1 2 427.571 0.850 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001589370977 1072354728 /nfs/dbraw/zinc/35/47/28/1072354728.db2.gz IBKIYQZYUZMLKD-HNNXBMFYSA-N 1 2 427.571 0.850 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001589370978 1072354975 /nfs/dbraw/zinc/35/49/75/1072354975.db2.gz IBKIYQZYUZMLKD-OAHLLOKOSA-N 1 2 427.571 0.850 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001589370978 1072354970 /nfs/dbraw/zinc/35/49/70/1072354970.db2.gz IBKIYQZYUZMLKD-OAHLLOKOSA-N 1 2 427.571 0.850 20 0 ICADLO Cn1ccn2c(CNC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)C3CCCCC3)nnc2c1=O ZINC001593677344 1072360641 /nfs/dbraw/zinc/36/06/41/1072360641.db2.gz VAUSUEIFIAQNNL-HNNXBMFYSA-N 1 2 426.481 0.075 20 0 ICADLO Cn1ccn2c(CNC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)C3CCCCC3)nnc2c1=O ZINC001593677344 1072360626 /nfs/dbraw/zinc/36/06/26/1072360626.db2.gz VAUSUEIFIAQNNL-HNNXBMFYSA-N 1 2 426.481 0.075 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC001593767294 1072362265 /nfs/dbraw/zinc/36/22/65/1072362265.db2.gz AHRQWWOGGDJPFA-HNNXBMFYSA-N 1 2 435.506 0.290 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC001593767294 1072362253 /nfs/dbraw/zinc/36/22/53/1072362253.db2.gz AHRQWWOGGDJPFA-HNNXBMFYSA-N 1 2 435.506 0.290 20 0 ICADLO CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)cc1 ZINC001593767339 1072362394 /nfs/dbraw/zinc/36/23/94/1072362394.db2.gz AZKVOOJWPNKDTC-DLBZAZTESA-N 1 2 431.518 0.797 20 0 ICADLO CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)cc1 ZINC001593767339 1072362380 /nfs/dbraw/zinc/36/23/80/1072362380.db2.gz AZKVOOJWPNKDTC-DLBZAZTESA-N 1 2 431.518 0.797 20 0 ICADLO CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)cc1 ZINC001593767341 1072362097 /nfs/dbraw/zinc/36/20/97/1072362097.db2.gz AZKVOOJWPNKDTC-IRXDYDNUSA-N 1 2 431.518 0.797 20 0 ICADLO CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)cc1 ZINC001593767341 1072362088 /nfs/dbraw/zinc/36/20/88/1072362088.db2.gz AZKVOOJWPNKDTC-IRXDYDNUSA-N 1 2 431.518 0.797 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001593767513 1072363111 /nfs/dbraw/zinc/36/31/11/1072363111.db2.gz DPPVNPMYLFNONF-FZKCQIBNSA-N 1 2 435.550 0.480 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001593767513 1072363103 /nfs/dbraw/zinc/36/31/03/1072363103.db2.gz DPPVNPMYLFNONF-FZKCQIBNSA-N 1 2 435.550 0.480 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001593767514 1072363208 /nfs/dbraw/zinc/36/32/08/1072363208.db2.gz DPPVNPMYLFNONF-VGWMRTNUSA-N 1 2 435.550 0.480 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001593767514 1072363202 /nfs/dbraw/zinc/36/32/02/1072363202.db2.gz DPPVNPMYLFNONF-VGWMRTNUSA-N 1 2 435.550 0.480 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001593767515 1072362788 /nfs/dbraw/zinc/36/27/88/1072362788.db2.gz DPPVNPMYLFNONF-WCVJEAGWSA-N 1 2 435.550 0.480 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001593767515 1072362778 /nfs/dbraw/zinc/36/27/78/1072362778.db2.gz DPPVNPMYLFNONF-WCVJEAGWSA-N 1 2 435.550 0.480 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CCSC)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001593767516 1072362700 /nfs/dbraw/zinc/36/27/00/1072362700.db2.gz DPPVNPMYLFNONF-XUWVNRHRSA-N 1 2 435.550 0.480 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CCSC)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001593767516 1072362690 /nfs/dbraw/zinc/36/26/90/1072362690.db2.gz DPPVNPMYLFNONF-XUWVNRHRSA-N 1 2 435.550 0.480 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001593767691 1072362929 /nfs/dbraw/zinc/36/29/29/1072362929.db2.gz HOFJNQALONJDJJ-HNNXBMFYSA-N 1 2 439.925 0.935 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001593767691 1072362912 /nfs/dbraw/zinc/36/29/12/1072362912.db2.gz HOFJNQALONJDJJ-HNNXBMFYSA-N 1 2 439.925 0.935 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1 ZINC001593767731 1072363181 /nfs/dbraw/zinc/36/31/81/1072363181.db2.gz IYZDIRNNLQZDCF-ADYPVZHUSA-N 1 2 445.545 0.896 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1 ZINC001593767731 1072363177 /nfs/dbraw/zinc/36/31/77/1072363177.db2.gz IYZDIRNNLQZDCF-ADYPVZHUSA-N 1 2 445.545 0.896 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1 ZINC001593767732 1072363081 /nfs/dbraw/zinc/36/30/81/1072363081.db2.gz IYZDIRNNLQZDCF-DLENHJPASA-N 1 2 445.545 0.896 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1 ZINC001593767732 1072363072 /nfs/dbraw/zinc/36/30/72/1072363072.db2.gz IYZDIRNNLQZDCF-DLENHJPASA-N 1 2 445.545 0.896 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC001593767847 1072362985 /nfs/dbraw/zinc/36/29/85/1072362985.db2.gz JSVXVISBWSXDTE-INIZCTEOSA-N 1 2 425.486 0.423 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC001593767847 1072362972 /nfs/dbraw/zinc/36/29/72/1072362972.db2.gz JSVXVISBWSXDTE-INIZCTEOSA-N 1 2 425.486 0.423 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001593769218 1072362860 /nfs/dbraw/zinc/36/28/60/1072362860.db2.gz WKCMTFGWHRZWTM-DJJJIMSYSA-N 1 2 425.461 0.159 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001593769218 1072362842 /nfs/dbraw/zinc/36/28/42/1072362842.db2.gz WKCMTFGWHRZWTM-DJJJIMSYSA-N 1 2 425.461 0.159 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001593769221 1072363135 /nfs/dbraw/zinc/36/31/35/1072363135.db2.gz WKCMTFGWHRZWTM-ORAYPTAESA-N 1 2 425.461 0.159 20 0 ICADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001593769221 1072363128 /nfs/dbraw/zinc/36/31/28/1072363128.db2.gz WKCMTFGWHRZWTM-ORAYPTAESA-N 1 2 425.461 0.159 20 0 ICADLO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001594591861 1072371595 /nfs/dbraw/zinc/37/15/95/1072371595.db2.gz CVTYQWDTKAEDSW-HNNXBMFYSA-N 1 2 434.449 0.554 20 0 ICADLO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001594591862 1072371504 /nfs/dbraw/zinc/37/15/04/1072371504.db2.gz CVTYQWDTKAEDSW-OAHLLOKOSA-N 1 2 434.449 0.554 20 0 ICADLO CC1(C)OC[C@@H]([C@@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CCO2)O1 ZINC001594718727 1072373272 /nfs/dbraw/zinc/37/32/72/1072373272.db2.gz ZZEZGEFDDMDIFW-ROUUACIJSA-N 1 2 432.521 0.889 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001594772482 1072374461 /nfs/dbraw/zinc/37/44/61/1072374461.db2.gz GSBUYZIVVPRYMG-APWZRJJASA-N 1 2 429.521 0.763 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001594772482 1072374455 /nfs/dbraw/zinc/37/44/55/1072374455.db2.gz GSBUYZIVVPRYMG-APWZRJJASA-N 1 2 429.521 0.763 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001594772483 1072374346 /nfs/dbraw/zinc/37/43/46/1072374346.db2.gz GSBUYZIVVPRYMG-LPHOPBHVSA-N 1 2 429.521 0.763 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001594772483 1072374338 /nfs/dbraw/zinc/37/43/38/1072374338.db2.gz GSBUYZIVVPRYMG-LPHOPBHVSA-N 1 2 429.521 0.763 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001594772484 1072374318 /nfs/dbraw/zinc/37/43/18/1072374318.db2.gz GSBUYZIVVPRYMG-QFBILLFUSA-N 1 2 429.521 0.763 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001594772484 1072374310 /nfs/dbraw/zinc/37/43/10/1072374310.db2.gz GSBUYZIVVPRYMG-QFBILLFUSA-N 1 2 429.521 0.763 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001594772485 1072374481 /nfs/dbraw/zinc/37/44/81/1072374481.db2.gz GSBUYZIVVPRYMG-VQIMIIECSA-N 1 2 429.521 0.763 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC001594772485 1072374475 /nfs/dbraw/zinc/37/44/75/1072374475.db2.gz GSBUYZIVVPRYMG-VQIMIIECSA-N 1 2 429.521 0.763 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O ZINC001594772601 1072374522 /nfs/dbraw/zinc/37/45/22/1072374522.db2.gz JLDCEEAANKAMMJ-AOMKIAJQSA-N 1 2 432.521 0.998 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O ZINC001594772601 1072374515 /nfs/dbraw/zinc/37/45/15/1072374515.db2.gz JLDCEEAANKAMMJ-AOMKIAJQSA-N 1 2 432.521 0.998 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O ZINC001594772602 1072374420 /nfs/dbraw/zinc/37/44/20/1072374420.db2.gz JLDCEEAANKAMMJ-KSFYIVLOSA-N 1 2 432.521 0.998 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O ZINC001594772602 1072374415 /nfs/dbraw/zinc/37/44/15/1072374415.db2.gz JLDCEEAANKAMMJ-KSFYIVLOSA-N 1 2 432.521 0.998 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O ZINC001594772603 1072374221 /nfs/dbraw/zinc/37/42/21/1072374221.db2.gz JLDCEEAANKAMMJ-OPAMFIHVSA-N 1 2 432.521 0.998 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O ZINC001594772603 1072374215 /nfs/dbraw/zinc/37/42/15/1072374215.db2.gz JLDCEEAANKAMMJ-OPAMFIHVSA-N 1 2 432.521 0.998 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O ZINC001594772604 1072374283 /nfs/dbraw/zinc/37/42/83/1072374283.db2.gz JLDCEEAANKAMMJ-ZHRRBRCNSA-N 1 2 432.521 0.998 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O ZINC001594772604 1072374276 /nfs/dbraw/zinc/37/42/76/1072374276.db2.gz JLDCEEAANKAMMJ-ZHRRBRCNSA-N 1 2 432.521 0.998 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC001594773458 1072374968 /nfs/dbraw/zinc/37/49/68/1072374968.db2.gz WEKUKDLKZYAXBW-HNNXBMFYSA-N 1 2 427.523 0.353 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC001594773458 1072374955 /nfs/dbraw/zinc/37/49/55/1072374955.db2.gz WEKUKDLKZYAXBW-HNNXBMFYSA-N 1 2 427.523 0.353 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC001594773459 1072374864 /nfs/dbraw/zinc/37/48/64/1072374864.db2.gz WEKUKDLKZYAXBW-OAHLLOKOSA-N 1 2 427.523 0.353 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC001594773459 1072374853 /nfs/dbraw/zinc/37/48/53/1072374853.db2.gz WEKUKDLKZYAXBW-OAHLLOKOSA-N 1 2 427.523 0.353 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001594773957 1072375033 /nfs/dbraw/zinc/37/50/33/1072375033.db2.gz XXKNGELTGGZKEV-DLBZAZTESA-N 1 2 426.558 0.977 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001594773957 1072375027 /nfs/dbraw/zinc/37/50/27/1072375027.db2.gz XXKNGELTGGZKEV-DLBZAZTESA-N 1 2 426.558 0.977 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001594773961 1072374995 /nfs/dbraw/zinc/37/49/95/1072374995.db2.gz XXKNGELTGGZKEV-IAGOWNOFSA-N 1 2 426.558 0.977 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001594773961 1072374993 /nfs/dbraw/zinc/37/49/93/1072374993.db2.gz XXKNGELTGGZKEV-IAGOWNOFSA-N 1 2 426.558 0.977 20 0 ICADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001594773964 1072374929 /nfs/dbraw/zinc/37/49/29/1072374929.db2.gz XXKNGELTGGZKEV-IRXDYDNUSA-N 1 2 426.558 0.977 20 0 ICADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001594773964 1072374920 /nfs/dbraw/zinc/37/49/20/1072374920.db2.gz XXKNGELTGGZKEV-IRXDYDNUSA-N 1 2 426.558 0.977 20 0 ICADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001594773967 1072374798 /nfs/dbraw/zinc/37/47/98/1072374798.db2.gz XXKNGELTGGZKEV-SJORKVTESA-N 1 2 426.558 0.977 20 0 ICADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001594773967 1072374785 /nfs/dbraw/zinc/37/47/85/1072374785.db2.gz XXKNGELTGGZKEV-SJORKVTESA-N 1 2 426.558 0.977 20 0 ICADLO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C1CC1 ZINC001595144903 1072381042 /nfs/dbraw/zinc/38/10/42/1072381042.db2.gz RBJWJOLBSNITSH-CEXWTWQISA-N 1 2 435.565 0.993 20 0 ICADLO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C1CC1 ZINC001595144905 1072381163 /nfs/dbraw/zinc/38/11/63/1072381163.db2.gz RBJWJOLBSNITSH-GBESFXJTSA-N 1 2 435.565 0.993 20 0 ICADLO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@@]1([NH+](C)C)COc2ccccc2C1 ZINC001595169341 1072382179 /nfs/dbraw/zinc/38/21/79/1072382179.db2.gz SGGZJFLHGJQLBP-DEOSSOPVSA-N 1 2 438.528 0.813 20 0 ICADLO CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@]1([NH+](C)C)COc2ccccc2C1 ZINC001595169342 1072382213 /nfs/dbraw/zinc/38/22/13/1072382213.db2.gz SGGZJFLHGJQLBP-XMMPIXPASA-N 1 2 438.528 0.813 20 0 ICADLO CCS(=O)(=O)c1ccccc1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001595181125 1072382305 /nfs/dbraw/zinc/38/23/05/1072382305.db2.gz JDXYPQPEKVFDLZ-GOSISDBHSA-N 1 2 437.562 0.320 20 0 ICADLO CCS(=O)(=O)c1ccccc1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001595181128 1072382264 /nfs/dbraw/zinc/38/22/64/1072382264.db2.gz JDXYPQPEKVFDLZ-SFHVURJKSA-N 1 2 437.562 0.320 20 0 ICADLO Cc1ccc(-c2nn(C)cc2C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC001595546943 1072396033 /nfs/dbraw/zinc/39/60/33/1072396033.db2.gz BCVONBOPGQJMHQ-UHFFFAOYSA-N 1 2 436.538 0.239 20 0 ICADLO COc1cccc([C@@H](OC)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001595547514 1072396083 /nfs/dbraw/zinc/39/60/83/1072396083.db2.gz FWFDOCWUYQCIFN-GOSISDBHSA-N 1 2 426.539 0.019 20 0 ICADLO COc1cccc([C@H](OC)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001595547515 1072396221 /nfs/dbraw/zinc/39/62/21/1072396221.db2.gz FWFDOCWUYQCIFN-SFHVURJKSA-N 1 2 426.539 0.019 20 0 ICADLO CC(C)N(CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(=O)OC(C)(C)C ZINC001595547536 1072396173 /nfs/dbraw/zinc/39/61/73/1072396173.db2.gz HBQZSYDQXMYQJG-UHFFFAOYSA-N 1 2 447.602 0.268 20 0 ICADLO C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001595548377 1072396117 /nfs/dbraw/zinc/39/61/17/1072396117.db2.gz RKTYIFIIHVPFPW-INIZCTEOSA-N 1 2 440.541 0.671 20 0 ICADLO C[C@H](CC(=O)c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001595548378 1072396303 /nfs/dbraw/zinc/39/63/03/1072396303.db2.gz RKTYIFIIHVPFPW-MRXNPFEDSA-N 1 2 440.541 0.671 20 0 ICADLO CCOC(=O)C1CCC(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001595548381 1072396938 /nfs/dbraw/zinc/39/69/38/1072396938.db2.gz RQCAPYGALIRHDX-UHFFFAOYSA-N 1 2 444.598 0.382 20 0 ICADLO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001595548582 1072396719 /nfs/dbraw/zinc/39/67/19/1072396719.db2.gz WSIGSMXRDAUCOR-INIZCTEOSA-N 1 2 447.602 0.268 20 0 ICADLO CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001595548583 1072396803 /nfs/dbraw/zinc/39/68/03/1072396803.db2.gz WSIGSMXRDAUCOR-MRXNPFEDSA-N 1 2 447.602 0.268 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001595572444 1072400039 /nfs/dbraw/zinc/40/00/39/1072400039.db2.gz FCXMNPAUYVJCFX-MSOLQXFVSA-N 1 2 426.558 0.535 20 0 ICADLO CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)CCO2 ZINC001595674298 1072408367 /nfs/dbraw/zinc/40/83/67/1072408367.db2.gz MOLMTGSMUVQKPI-SJORKVTESA-N 1 2 425.526 0.715 20 0 ICADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1 ZINC001595757391 1072414501 /nfs/dbraw/zinc/41/45/01/1072414501.db2.gz ASRYUSDFJPMWMX-UHFFFAOYSA-N 1 2 442.495 0.782 20 0 ICADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1 ZINC001595757391 1072414495 /nfs/dbraw/zinc/41/44/95/1072414495.db2.gz ASRYUSDFJPMWMX-UHFFFAOYSA-N 1 2 442.495 0.782 20 0 ICADLO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC001595757931 1072415161 /nfs/dbraw/zinc/41/51/61/1072415161.db2.gz ITICSKJHVICDNB-UHFFFAOYSA-N 1 2 428.530 0.749 20 0 ICADLO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC001595757931 1072415158 /nfs/dbraw/zinc/41/51/58/1072415158.db2.gz ITICSKJHVICDNB-UHFFFAOYSA-N 1 2 428.530 0.749 20 0 ICADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 ZINC001595757971 1072415298 /nfs/dbraw/zinc/41/52/98/1072415298.db2.gz KOXPJZQNNRGSMO-UHFFFAOYSA-N 1 2 439.582 0.436 20 0 ICADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 ZINC001595757971 1072415292 /nfs/dbraw/zinc/41/52/92/1072415292.db2.gz KOXPJZQNNRGSMO-UHFFFAOYSA-N 1 2 439.582 0.436 20 0 ICADLO 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CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC001595759318 1072415226 /nfs/dbraw/zinc/41/52/26/1072415226.db2.gz XUJKKOLOTLPIQS-MSOLQXFVSA-N 1 2 436.553 0.591 20 0 ICADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC001595759321 1072415323 /nfs/dbraw/zinc/41/53/23/1072415323.db2.gz XUJKKOLOTLPIQS-QZTJIDSGSA-N 1 2 436.553 0.591 20 0 ICADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC001595759321 1072415319 /nfs/dbraw/zinc/41/53/19/1072415319.db2.gz XUJKKOLOTLPIQS-QZTJIDSGSA-N 1 2 436.553 0.591 20 0 ICADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC001595759326 1072415307 /nfs/dbraw/zinc/41/53/07/1072415307.db2.gz XUJKKOLOTLPIQS-ROUUACIJSA-N 1 2 436.553 0.591 20 0 ICADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC001595759326 1072415305 /nfs/dbraw/zinc/41/53/05/1072415305.db2.gz XUJKKOLOTLPIQS-ROUUACIJSA-N 1 2 436.553 0.591 20 0 ICADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC001595759328 1072415279 /nfs/dbraw/zinc/41/52/79/1072415279.db2.gz XUJKKOLOTLPIQS-ZWKOTPCHSA-N 1 2 436.553 0.591 20 0 ICADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC001595759328 1072415276 /nfs/dbraw/zinc/41/52/76/1072415276.db2.gz XUJKKOLOTLPIQS-ZWKOTPCHSA-N 1 2 436.553 0.591 20 0 ICADLO COC[C@]1(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001595767207 1072415767 /nfs/dbraw/zinc/41/57/67/1072415767.db2.gz WDEQSLIKOZRGPF-NRFANRHFSA-N 1 2 442.557 0.261 20 0 ICADLO COC[C@]1(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001595767207 1072415760 /nfs/dbraw/zinc/41/57/60/1072415760.db2.gz WDEQSLIKOZRGPF-NRFANRHFSA-N 1 2 442.557 0.261 20 0 ICADLO COC[C@@]1(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001595767208 1072416399 /nfs/dbraw/zinc/41/63/99/1072416399.db2.gz WDEQSLIKOZRGPF-OAQYLSRUSA-N 1 2 442.557 0.261 20 0 ICADLO COC[C@@]1(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001595767208 1072416392 /nfs/dbraw/zinc/41/63/92/1072416392.db2.gz WDEQSLIKOZRGPF-OAQYLSRUSA-N 1 2 442.557 0.261 20 0 ICADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)C1 ZINC001595801519 1072421048 /nfs/dbraw/zinc/42/10/48/1072421048.db2.gz YDBOUBNYHSPANC-AWEZNQCLSA-N 1 2 441.506 0.352 20 0 ICADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)C1 ZINC001595801519 1072421043 /nfs/dbraw/zinc/42/10/43/1072421043.db2.gz YDBOUBNYHSPANC-AWEZNQCLSA-N 1 2 441.506 0.352 20 0 ICADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)C1 ZINC001595801520 1072421114 /nfs/dbraw/zinc/42/11/14/1072421114.db2.gz YDBOUBNYHSPANC-CQSZACIVSA-N 1 2 441.506 0.352 20 0 ICADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)C1 ZINC001595801520 1072421111 /nfs/dbraw/zinc/42/11/11/1072421111.db2.gz YDBOUBNYHSPANC-CQSZACIVSA-N 1 2 441.506 0.352 20 0 ICADLO C/C(=C/C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C[NH+]1CCOCC1 ZINC001595932052 1072430251 /nfs/dbraw/zinc/43/02/51/1072430251.db2.gz DEXTWSCTXXIPFH-JXAWBTAJSA-N 1 2 437.562 0.743 20 0 ICADLO C/C(=C\C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C[NH+]1CCOCC1 ZINC001595932053 1072430128 /nfs/dbraw/zinc/43/01/28/1072430128.db2.gz DEXTWSCTXXIPFH-NBVRZTHBSA-N 1 2 437.562 0.743 20 0 ICADLO COC(=O)c1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001595944127 1072432990 /nfs/dbraw/zinc/43/29/90/1072432990.db2.gz LRGWAQSJFUMDQZ-DYVFJYSZSA-N 1 2 426.491 0.695 20 0 ICADLO CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001595963751 1072434872 /nfs/dbraw/zinc/43/48/72/1072434872.db2.gz UTJOUHLTXDWAMF-GOSISDBHSA-N 1 2 449.600 0.832 20 0 ICADLO CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001595963751 1072434869 /nfs/dbraw/zinc/43/48/69/1072434869.db2.gz UTJOUHLTXDWAMF-GOSISDBHSA-N 1 2 449.600 0.832 20 0 ICADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001595963752 1072434848 /nfs/dbraw/zinc/43/48/48/1072434848.db2.gz UTJOUHLTXDWAMF-SFHVURJKSA-N 1 2 449.600 0.832 20 0 ICADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001595963752 1072434836 /nfs/dbraw/zinc/43/48/36/1072434836.db2.gz UTJOUHLTXDWAMF-SFHVURJKSA-N 1 2 449.600 0.832 20 0 ICADLO CC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001596005577 1072442152 /nfs/dbraw/zinc/44/21/52/1072442152.db2.gz GPUFTULWCNTWLX-UHFFFAOYSA-N 1 2 435.573 0.443 20 0 ICADLO CCOC(=O)[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC001596015876 1072443754 /nfs/dbraw/zinc/44/37/54/1072443754.db2.gz CPMXJTNMOFEPHD-KRWDZBQOSA-N 1 2 426.539 0.485 20 0 ICADLO CCOC(=O)[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC001596015877 1072443932 /nfs/dbraw/zinc/44/39/32/1072443932.db2.gz CPMXJTNMOFEPHD-QGZVFWFLSA-N 1 2 426.539 0.485 20 0 ICADLO COc1ccccc1[C@H](O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001596015892 1072443728 /nfs/dbraw/zinc/44/37/28/1072443728.db2.gz CROIXDCVVYQNPV-IBGZPJMESA-N 1 2 434.518 0.392 20 0 ICADLO COc1ccccc1[C@@H](O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001596015893 1072443939 /nfs/dbraw/zinc/44/39/39/1072443939.db2.gz CROIXDCVVYQNPV-LJQANCHMSA-N 1 2 434.518 0.392 20 0 ICADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[nH]n1 ZINC001596016602 1072443928 /nfs/dbraw/zinc/44/39/28/1072443928.db2.gz KBBFULVKTGQZSB-GOSISDBHSA-N 1 2 447.565 0.453 20 0 ICADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[nH]n1 ZINC001596016602 1072443924 /nfs/dbraw/zinc/44/39/24/1072443924.db2.gz KBBFULVKTGQZSB-GOSISDBHSA-N 1 2 447.565 0.453 20 0 ICADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[nH]n1 ZINC001596016603 1072443837 /nfs/dbraw/zinc/44/38/37/1072443837.db2.gz KBBFULVKTGQZSB-SFHVURJKSA-N 1 2 447.565 0.453 20 0 ICADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[nH]n1 ZINC001596016603 1072443828 /nfs/dbraw/zinc/44/38/28/1072443828.db2.gz KBBFULVKTGQZSB-SFHVURJKSA-N 1 2 447.565 0.453 20 0 ICADLO Cn1ccc(-c2cc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)[nH]n2)c1 ZINC001596016949 1072443860 /nfs/dbraw/zinc/44/38/60/1072443860.db2.gz NEWFSRMXCIMVTM-UHFFFAOYSA-N 1 2 443.533 0.692 20 0 ICADLO COc1cc(CO)ccc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001596017199 1072443895 /nfs/dbraw/zinc/44/38/95/1072443895.db2.gz ONPITHXYZOMDJV-UHFFFAOYSA-N 1 2 434.518 0.464 20 0 ICADLO Cc1cn2c(n1)C[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001596017223 1072443694 /nfs/dbraw/zinc/44/36/94/1072443694.db2.gz PIPQHNKWZIIOCH-KRWDZBQOSA-N 1 2 432.550 0.417 20 0 ICADLO Cc1cn2c(n1)C[C@H](C(=O)NCCS(=O)(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001596017224 1072443681 /nfs/dbraw/zinc/44/36/81/1072443681.db2.gz PIPQHNKWZIIOCH-QGZVFWFLSA-N 1 2 432.550 0.417 20 0 ICADLO C[C@@H](O)c1ncc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC001596017793 1072444427 /nfs/dbraw/zinc/44/44/27/1072444427.db2.gz WHRMDZDVXFTWKO-CYBMUJFWSA-N 1 2 425.536 0.473 20 0 ICADLO C[C@H](O)c1ncc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC001596017794 1072444321 /nfs/dbraw/zinc/44/43/21/1072444321.db2.gz WHRMDZDVXFTWKO-ZDUSSCGKSA-N 1 2 425.536 0.473 20 0 ICADLO CC(=O)N[C@H](CCC(C)C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001596018011 1072444447 /nfs/dbraw/zinc/44/44/47/1072444447.db2.gz YKYXPNRHDQDBTH-GOSISDBHSA-N 1 2 439.582 0.591 20 0 ICADLO CC(=O)N[C@@H](CCC(C)C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001596018013 1072444358 /nfs/dbraw/zinc/44/43/58/1072444358.db2.gz YKYXPNRHDQDBTH-SFHVURJKSA-N 1 2 439.582 0.591 20 0 ICADLO CC(=O)N1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001596084302 1072448989 /nfs/dbraw/zinc/44/89/89/1072448989.db2.gz DNEPPURWBXXGKU-UHFFFAOYSA-N 1 2 435.573 0.586 20 0 ICADLO CC(=O)N1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001596084302 1072448987 /nfs/dbraw/zinc/44/89/87/1072448987.db2.gz DNEPPURWBXXGKU-UHFFFAOYSA-N 1 2 435.573 0.586 20 0 ICADLO CC(=O)N1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001596087224 1072449677 /nfs/dbraw/zinc/44/96/77/1072449677.db2.gz ZLDQSZHRFXDPGZ-UHFFFAOYSA-N 1 2 428.541 0.984 20 0 ICADLO CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001596142745 1072455147 /nfs/dbraw/zinc/45/51/47/1072455147.db2.gz FZHJIKPXAINZMR-UHFFFAOYSA-N 1 2 426.525 0.692 20 0 ICADLO CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC001596144758 1072455716 /nfs/dbraw/zinc/45/57/16/1072455716.db2.gz SWDDGGMITSSCLI-KRWDZBQOSA-N 1 2 447.584 0.682 20 0 ICADLO CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC001596144759 1072455782 /nfs/dbraw/zinc/45/57/82/1072455782.db2.gz SWDDGGMITSSCLI-QGZVFWFLSA-N 1 2 447.584 0.682 20 0 ICADLO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001596202413 1072462399 /nfs/dbraw/zinc/46/23/99/1072462399.db2.gz VWWWEUHLESZXQH-QRQLOZEOSA-N 1 2 431.599 0.775 20 0 ICADLO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001596202414 1072462374 /nfs/dbraw/zinc/46/23/74/1072462374.db2.gz VWWWEUHLESZXQH-UHOSZYNNSA-N 1 2 431.599 0.775 20 0 ICADLO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC001596245733 1072466871 /nfs/dbraw/zinc/46/68/71/1072466871.db2.gz VOGMVQVTZRRNGW-MOPGFXCFSA-N 1 2 444.584 0.917 20 0 ICADLO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC001596245733 1072466865 /nfs/dbraw/zinc/46/68/65/1072466865.db2.gz VOGMVQVTZRRNGW-MOPGFXCFSA-N 1 2 444.584 0.917 20 0 ICADLO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC001596245734 1072466916 /nfs/dbraw/zinc/46/69/16/1072466916.db2.gz VOGMVQVTZRRNGW-OALUTQOASA-N 1 2 444.584 0.917 20 0 ICADLO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC001596245734 1072466913 /nfs/dbraw/zinc/46/69/13/1072466913.db2.gz VOGMVQVTZRRNGW-OALUTQOASA-N 1 2 444.584 0.917 20 0 ICADLO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC001596245735 1072466961 /nfs/dbraw/zinc/46/69/61/1072466961.db2.gz VOGMVQVTZRRNGW-RBUKOAKNSA-N 1 2 444.584 0.917 20 0 ICADLO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC001596245735 1072466959 /nfs/dbraw/zinc/46/69/59/1072466959.db2.gz VOGMVQVTZRRNGW-RBUKOAKNSA-N 1 2 444.584 0.917 20 0 ICADLO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC001596245736 1072466950 /nfs/dbraw/zinc/46/69/50/1072466950.db2.gz VOGMVQVTZRRNGW-RTBURBONSA-N 1 2 444.584 0.917 20 0 ICADLO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC001596245736 1072466946 /nfs/dbraw/zinc/46/69/46/1072466946.db2.gz VOGMVQVTZRRNGW-RTBURBONSA-N 1 2 444.584 0.917 20 0 ICADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2cc(N3CCOCC3)ncn2)CC1 ZINC001596246599 1072467522 /nfs/dbraw/zinc/46/75/22/1072467522.db2.gz BIEUJKURMPTNLA-UHFFFAOYSA-N 1 2 434.541 0.986 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001596274933 1072469799 /nfs/dbraw/zinc/46/97/99/1072469799.db2.gz AHNQKWYGRGUXJB-UHFFFAOYSA-N 1 2 435.470 0.773 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(C(=O)c3cc(C)oc3C)CC2)CC1 ZINC001596274953 1072469694 /nfs/dbraw/zinc/46/96/94/1072469694.db2.gz BAOMQIVOGBTNKY-UHFFFAOYSA-N 1 2 443.552 0.923 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCN(c3cnccn3)CC2)CC1 ZINC001596275217 1072470388 /nfs/dbraw/zinc/47/03/88/1072470388.db2.gz GSVKLRZENNSJLV-UHFFFAOYSA-N 1 2 427.557 0.682 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCC[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC001596275330 1072470496 /nfs/dbraw/zinc/47/04/96/1072470496.db2.gz JJBHFAIFDLBIPO-FQEVSTJZSA-N 1 2 429.573 0.876 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCC[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC001596275331 1072470408 /nfs/dbraw/zinc/47/04/08/1072470408.db2.gz JJBHFAIFDLBIPO-HXUWFJFHSA-N 1 2 429.573 0.876 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(C(=O)c3ccccc3O)CC2)CC1 ZINC001596275605 1072471125 /nfs/dbraw/zinc/47/11/25/1072471125.db2.gz LLDUNQQEAZUZSF-UHFFFAOYSA-N 1 2 441.536 0.419 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(c3nccc(C(C)C)n3)CC2)CC1 ZINC001596276731 1072471243 /nfs/dbraw/zinc/47/12/43/1072471243.db2.gz QJPZNXXIZIVXEL-UHFFFAOYSA-N 1 2 441.584 0.991 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC001596276763 1072471207 /nfs/dbraw/zinc/47/12/07/1072471207.db2.gz QOQPKRBATSYZSL-UHFFFAOYSA-N 1 2 440.552 0.176 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC001596277374 1072471042 /nfs/dbraw/zinc/47/10/42/1072471042.db2.gz SKALXPXBMOHFAN-UHFFFAOYSA-N 1 2 446.556 0.086 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC=C(C)C2)CC1 ZINC001596278024 1072471114 /nfs/dbraw/zinc/47/11/14/1072471114.db2.gz UFJFINUURYENQQ-INIZCTEOSA-N 1 2 439.586 0.209 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC=C(C)C2)CC1 ZINC001596278029 1072471167 /nfs/dbraw/zinc/47/11/67/1072471167.db2.gz UFJFINUURYENQQ-MRXNPFEDSA-N 1 2 439.586 0.209 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[C@H]32)CC1 ZINC001596278210 1072471225 /nfs/dbraw/zinc/47/12/25/1072471225.db2.gz VQUUFTNBBNYSBL-BHYGNILZSA-N 1 2 439.586 0.041 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@@H]32)CC1 ZINC001596278212 1072471762 /nfs/dbraw/zinc/47/17/62/1072471762.db2.gz VQUUFTNBBNYSBL-UAGQMJEPSA-N 1 2 439.586 0.041 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@H]32)CC1 ZINC001596278214 1072471691 /nfs/dbraw/zinc/47/16/91/1072471691.db2.gz VQUUFTNBBNYSBL-USXIJHARSA-N 1 2 439.586 0.041 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[C@@H]32)CC1 ZINC001596278216 1072471773 /nfs/dbraw/zinc/47/17/73/1072471773.db2.gz VQUUFTNBBNYSBL-XIRDDKMYSA-N 1 2 439.586 0.041 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCN(c3ncccn3)CC2)CC1 ZINC001596278723 1072471674 /nfs/dbraw/zinc/47/16/74/1072471674.db2.gz WRWYYRNROUSILB-UHFFFAOYSA-N 1 2 427.557 0.682 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N(C)CCN2CCOCC2)CC1 ZINC001596288125 1072473505 /nfs/dbraw/zinc/47/35/05/1072473505.db2.gz BLCDTJMQOHPIAP-UHFFFAOYSA-N 1 2 435.617 0.799 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001596288150 1072473731 /nfs/dbraw/zinc/47/37/31/1072473731.db2.gz BXNBTXZDCFLINZ-MSOLQXFVSA-N 1 2 433.557 0.255 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001596288152 1072473490 /nfs/dbraw/zinc/47/34/90/1072473490.db2.gz BXNBTXZDCFLINZ-QZTJIDSGSA-N 1 2 433.557 0.255 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001596288153 1072473712 /nfs/dbraw/zinc/47/37/12/1072473712.db2.gz BXNBTXZDCFLINZ-ROUUACIJSA-N 1 2 433.557 0.255 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001596288154 1072473703 /nfs/dbraw/zinc/47/37/03/1072473703.db2.gz BXNBTXZDCFLINZ-ZWKOTPCHSA-N 1 2 433.557 0.255 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001596288382 1072473745 /nfs/dbraw/zinc/47/37/45/1072473745.db2.gz DEPUKASTQKEGJP-INIZCTEOSA-N 1 2 435.598 0.725 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001596288384 1072473600 /nfs/dbraw/zinc/47/36/00/1072473600.db2.gz DEPUKASTQKEGJP-MRXNPFEDSA-N 1 2 435.598 0.725 20 0 ICADLO CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001596288388 1072473738 /nfs/dbraw/zinc/47/37/38/1072473738.db2.gz DFFYHWGHGXCCQH-IBGZPJMESA-N 1 2 433.557 0.352 20 0 ICADLO CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001596288389 1072473552 /nfs/dbraw/zinc/47/35/52/1072473552.db2.gz DFFYHWGHGXCCQH-LJQANCHMSA-N 1 2 433.557 0.352 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCN(c3cnccn3)CC2)CC1 ZINC001596288396 1072473726 /nfs/dbraw/zinc/47/37/26/1072473726.db2.gz DPJPFBXFWRJWLE-UHFFFAOYSA-N 1 2 441.584 0.757 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 ZINC001596288416 1072473615 /nfs/dbraw/zinc/47/36/15/1072473615.db2.gz DVJIWSRFCWDAIM-MSOLQXFVSA-N 1 2 447.584 0.966 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCO[C@H](Cn3cccn3)C2)CC1 ZINC001596288665 1072473686 /nfs/dbraw/zinc/47/36/86/1072473686.db2.gz GVHHIZPQKBNFCC-FQEVSTJZSA-N 1 2 444.584 0.743 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCO[C@@H](Cn3cccn3)C2)CC1 ZINC001596288666 1072474313 /nfs/dbraw/zinc/47/43/13/1072474313.db2.gz GVHHIZPQKBNFCC-HXUWFJFHSA-N 1 2 444.584 0.743 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001596288719 1072474360 /nfs/dbraw/zinc/47/43/60/1072474360.db2.gz IFNLVSVBMKPJGI-IBGZPJMESA-N 1 2 447.584 0.251 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001596288721 1072474367 /nfs/dbraw/zinc/47/43/67/1072474367.db2.gz IFNLVSVBMKPJGI-LJQANCHMSA-N 1 2 447.584 0.251 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3C)nnc2N2CCNC(=O)C2)CC1 ZINC001596288792 1072474237 /nfs/dbraw/zinc/47/42/37/1072474237.db2.gz IXQGRYVNCARGCJ-UHFFFAOYSA-N 1 2 425.537 0.278 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CC[C@]3(CCC(=O)N3)C2)CC1 ZINC001596288897 1072474209 /nfs/dbraw/zinc/47/42/09/1072474209.db2.gz JRANOVLKJWOLFD-JOCHJYFZSA-N 1 2 431.585 0.890 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CC[C@@]3(CCC(=O)N3)C2)CC1 ZINC001596288898 1072474417 /nfs/dbraw/zinc/47/44/17/1072474417.db2.gz JRANOVLKJWOLFD-QFIPXVFZSA-N 1 2 431.585 0.890 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001596288904 1072474167 /nfs/dbraw/zinc/47/41/67/1072474167.db2.gz JZYUITOJLUCLLY-MSOLQXFVSA-N 1 2 433.557 0.386 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001596288905 1072474380 /nfs/dbraw/zinc/47/43/80/1072474380.db2.gz JZYUITOJLUCLLY-QZTJIDSGSA-N 1 2 433.557 0.386 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001596288906 1072474411 /nfs/dbraw/zinc/47/44/11/1072474411.db2.gz JZYUITOJLUCLLY-ROUUACIJSA-N 1 2 433.557 0.386 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001596288907 1072474294 /nfs/dbraw/zinc/47/42/94/1072474294.db2.gz JZYUITOJLUCLLY-ZWKOTPCHSA-N 1 2 433.557 0.386 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N(C)CCc2cnccn2)CC1 ZINC001596289276 1072474426 /nfs/dbraw/zinc/47/44/26/1072474426.db2.gz NJDRJEMSMXLUON-UHFFFAOYSA-N 1 2 449.563 0.897 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2C[C@H]3CCC(=O)N[C@H]3C2)CC1 ZINC001596289595 1072475017 /nfs/dbraw/zinc/47/50/17/1072475017.db2.gz QHTYPRIVWURENX-MSOLQXFVSA-N 1 2 431.585 0.746 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2C[C@H]3CCC(=O)N[C@@H]3C2)CC1 ZINC001596289596 1072475063 /nfs/dbraw/zinc/47/50/63/1072475063.db2.gz QHTYPRIVWURENX-QZTJIDSGSA-N 1 2 431.585 0.746 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2C[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001596289597 1072474812 /nfs/dbraw/zinc/47/48/12/1072474812.db2.gz QHTYPRIVWURENX-ROUUACIJSA-N 1 2 431.585 0.746 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2C[C@@H]3CCC(=O)N[C@@H]3C2)CC1 ZINC001596289598 1072474898 /nfs/dbraw/zinc/47/48/98/1072474898.db2.gz QHTYPRIVWURENX-ZWKOTPCHSA-N 1 2 431.585 0.746 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cscn2)CC1 ZINC001596289880 1072474931 /nfs/dbraw/zinc/47/49/31/1072474931.db2.gz SHAVPUFILVZQPO-INIZCTEOSA-N 1 2 432.554 0.486 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cscn2)CC1 ZINC001596289881 1072474793 /nfs/dbraw/zinc/47/47/93/1072474793.db2.gz SHAVPUFILVZQPO-MRXNPFEDSA-N 1 2 432.554 0.486 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(C3CCCC3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001596289894 1072474962 /nfs/dbraw/zinc/47/49/62/1072474962.db2.gz SLQUAILHYXLEON-UHFFFAOYSA-N 1 2 447.584 0.571 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(F)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001596290098 1072475052 /nfs/dbraw/zinc/47/50/52/1072475052.db2.gz VGJQBEKGULCAJS-UHFFFAOYSA-N 1 2 443.527 0.498 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001596290141 1072474765 /nfs/dbraw/zinc/47/47/65/1072474765.db2.gz WNSFVGHBRVBBHW-KRWDZBQOSA-N 1 2 432.573 0.245 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001596290142 1072474828 /nfs/dbraw/zinc/47/48/28/1072474828.db2.gz WNSFVGHBRVBBHW-QGZVFWFLSA-N 1 2 432.573 0.245 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2scnc2C)CC1 ZINC001596290202 1072475042 /nfs/dbraw/zinc/47/50/42/1072475042.db2.gz YMCOQUQRXVVUJZ-INIZCTEOSA-N 1 2 446.581 0.795 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2scnc2C)CC1 ZINC001596290203 1072475592 /nfs/dbraw/zinc/47/55/92/1072475592.db2.gz YMCOQUQRXVVUJZ-MRXNPFEDSA-N 1 2 446.581 0.795 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001596296088 1072475532 /nfs/dbraw/zinc/47/55/32/1072475532.db2.gz ASTKPDBBXQLQHY-AWEZNQCLSA-N 1 2 448.597 0.498 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001596296090 1072475637 /nfs/dbraw/zinc/47/56/37/1072475637.db2.gz ASTKPDBBXQLQHY-CQSZACIVSA-N 1 2 448.597 0.498 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N(C)CCn2cccn2)CC1 ZINC001596296128 1072475604 /nfs/dbraw/zinc/47/56/04/1072475604.db2.gz CCQGZLJKPFSGJM-UHFFFAOYSA-N 1 2 437.552 0.761 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001596296172 1072475485 /nfs/dbraw/zinc/47/54/85/1072475485.db2.gz DJMZHINCOCOGDJ-UHFFFAOYSA-N 1 2 431.566 0.421 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(N3CCOCC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001596296485 1072475651 /nfs/dbraw/zinc/47/56/51/1072475651.db2.gz DYTNPHIBXLIIKO-NRFANRHFSA-N 1 2 436.557 0.319 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(N3CCOCC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001596296486 1072475628 /nfs/dbraw/zinc/47/56/28/1072475628.db2.gz DYTNPHIBXLIIKO-OAQYLSRUSA-N 1 2 436.557 0.319 20 0 ICADLO CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001596296493 1072475507 /nfs/dbraw/zinc/47/55/07/1072475507.db2.gz FEFXGLPTADFXTQ-UHFFFAOYSA-N 1 2 440.552 0.097 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC3CCCC3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001596296534 1072475643 /nfs/dbraw/zinc/47/56/43/1072475643.db2.gz HFXBGYNPRXUHAP-KRWDZBQOSA-N 1 2 431.585 0.842 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC3CCCC3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001596296535 1072476106 /nfs/dbraw/zinc/47/61/06/1072476106.db2.gz HFXBGYNPRXUHAP-QGZVFWFLSA-N 1 2 431.585 0.842 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001596296548 1072476075 /nfs/dbraw/zinc/47/60/75/1072476075.db2.gz HRRNKLJHAOOHIJ-HNNXBMFYSA-N 1 2 433.582 0.795 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001596296549 1072476217 /nfs/dbraw/zinc/47/62/17/1072476217.db2.gz HRRNKLJHAOOHIJ-OAHLLOKOSA-N 1 2 433.582 0.795 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CC3CC3)nnc2N2CCC(CCC(N)=O)CC2)CC1 ZINC001596296918 1072476081 /nfs/dbraw/zinc/47/60/81/1072476081.db2.gz LSABRQCZMQEPOK-UHFFFAOYSA-N 1 2 431.585 0.877 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001596297299 1072476227 /nfs/dbraw/zinc/47/62/27/1072476227.db2.gz OOQJZYGVEFTINT-KRWDZBQOSA-N 1 2 440.552 0.095 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001596297300 1072476212 /nfs/dbraw/zinc/47/62/12/1072476212.db2.gz OOQJZYGVEFTINT-QGZVFWFLSA-N 1 2 440.552 0.095 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001596297401 1072476193 /nfs/dbraw/zinc/47/61/93/1072476193.db2.gz OWGAVGJWTFVQIB-IBGZPJMESA-N 1 2 430.557 0.529 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001596297405 1072476180 /nfs/dbraw/zinc/47/61/80/1072476180.db2.gz OWGAVGJWTFVQIB-LJQANCHMSA-N 1 2 430.557 0.529 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001596297512 1072476222 /nfs/dbraw/zinc/47/62/22/1072476222.db2.gz SGBDHYRPNPFUOV-KRWDZBQOSA-N 1 2 447.584 0.568 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001596297604 1072476120 /nfs/dbraw/zinc/47/61/20/1072476120.db2.gz SGBDHYRPNPFUOV-QGZVFWFLSA-N 1 2 447.584 0.568 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCC(F)(F)C2)CC1 ZINC001596297639 1072476165 /nfs/dbraw/zinc/47/61/65/1072476165.db2.gz SZAXFXDUOLJKCT-UHFFFAOYSA-N 1 2 425.484 0.410 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N(C)Cc2cscn2)CC1 ZINC001596297896 1072476031 /nfs/dbraw/zinc/47/60/31/1072476031.db2.gz ZDQZMCXXQTXLGD-UHFFFAOYSA-N 1 2 446.581 0.658 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001596304834 1072476742 /nfs/dbraw/zinc/47/67/42/1072476742.db2.gz HWXBPEJDXQKULS-QFBILLFUSA-N 1 2 433.557 0.351 20 0 ICADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001596304835 1072476983 /nfs/dbraw/zinc/47/69/83/1072476983.db2.gz HWXBPEJDXQKULS-VQIMIIECSA-N 1 2 433.557 0.351 20 0 ICADLO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001596429245 1072485699 /nfs/dbraw/zinc/48/56/99/1072485699.db2.gz UETIRMSFNILQLA-UHFFFAOYSA-N 1 2 443.529 0.919 20 0 ICADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1cccn1CC[NH+]1CCOCC1 ZINC001596436997 1072486842 /nfs/dbraw/zinc/48/68/42/1072486842.db2.gz FGSVQBXAVIFICA-UHFFFAOYSA-N 1 2 439.516 0.322 20 0 ICADLO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC001596452329 1072489175 /nfs/dbraw/zinc/48/91/75/1072489175.db2.gz IGDNFXZOVKLOLB-GFCCVEGCSA-N 1 2 437.909 0.507 20 0 ICADLO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC001596452330 1072489152 /nfs/dbraw/zinc/48/91/52/1072489152.db2.gz IGDNFXZOVKLOLB-LBPRGKRZSA-N 1 2 437.909 0.507 20 0 ICADLO CC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001596463923 1072490918 /nfs/dbraw/zinc/49/09/18/1072490918.db2.gz DCGALCVDXHFNJH-AEFFLSMTSA-N 1 2 433.557 0.226 20 0 ICADLO CC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001596463923 1072490913 /nfs/dbraw/zinc/49/09/13/1072490913.db2.gz DCGALCVDXHFNJH-AEFFLSMTSA-N 1 2 433.557 0.226 20 0 ICADLO CC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001596463927 1072491539 /nfs/dbraw/zinc/49/15/39/1072491539.db2.gz DCGALCVDXHFNJH-FUHWJXTLSA-N 1 2 433.557 0.226 20 0 ICADLO CC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001596463927 1072491537 /nfs/dbraw/zinc/49/15/37/1072491537.db2.gz DCGALCVDXHFNJH-FUHWJXTLSA-N 1 2 433.557 0.226 20 0 ICADLO CC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001596463929 1072491590 /nfs/dbraw/zinc/49/15/90/1072491590.db2.gz DCGALCVDXHFNJH-SJLPKXTDSA-N 1 2 433.557 0.226 20 0 ICADLO CC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001596463929 1072491589 /nfs/dbraw/zinc/49/15/89/1072491589.db2.gz DCGALCVDXHFNJH-SJLPKXTDSA-N 1 2 433.557 0.226 20 0 ICADLO CC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001596463932 1072491601 /nfs/dbraw/zinc/49/16/01/1072491601.db2.gz DCGALCVDXHFNJH-WMZOPIPTSA-N 1 2 433.557 0.226 20 0 ICADLO CC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001596463932 1072491599 /nfs/dbraw/zinc/49/15/99/1072491599.db2.gz DCGALCVDXHFNJH-WMZOPIPTSA-N 1 2 433.557 0.226 20 0 ICADLO CC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001596471032 1072492275 /nfs/dbraw/zinc/49/22/75/1072492275.db2.gz BXWJRKSTVJOOOC-UHFFFAOYSA-N 1 2 447.584 0.730 20 0 ICADLO CC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001596472386 1072492967 /nfs/dbraw/zinc/49/29/67/1072492967.db2.gz SEWPNOGOYQEREZ-IBGZPJMESA-N 1 2 449.600 0.878 20 0 ICADLO CC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001596472387 1072492811 /nfs/dbraw/zinc/49/28/11/1072492811.db2.gz SEWPNOGOYQEREZ-LJQANCHMSA-N 1 2 449.600 0.878 20 0 ICADLO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001596523622 1072496741 /nfs/dbraw/zinc/49/67/41/1072496741.db2.gz PHGKTYBHALMCNZ-GOSISDBHSA-N 1 2 449.600 0.880 20 0 ICADLO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001596523622 1072496733 /nfs/dbraw/zinc/49/67/33/1072496733.db2.gz PHGKTYBHALMCNZ-GOSISDBHSA-N 1 2 449.600 0.880 20 0 ICADLO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001596523623 1072496670 /nfs/dbraw/zinc/49/66/70/1072496670.db2.gz PHGKTYBHALMCNZ-SFHVURJKSA-N 1 2 449.600 0.880 20 0 ICADLO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001596523623 1072496665 /nfs/dbraw/zinc/49/66/65/1072496665.db2.gz PHGKTYBHALMCNZ-SFHVURJKSA-N 1 2 449.600 0.880 20 0 ICADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC001596601243 1072502430 /nfs/dbraw/zinc/50/24/30/1072502430.db2.gz MJTNWWAJCSGGMT-INIZCTEOSA-N 1 2 426.539 0.540 20 0 ICADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC001596601244 1072502376 /nfs/dbraw/zinc/50/23/76/1072502376.db2.gz MJTNWWAJCSGGMT-MRXNPFEDSA-N 1 2 426.539 0.540 20 0 ICADLO Cn1c[nH+]c(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC001596635071 1072506174 /nfs/dbraw/zinc/50/61/74/1072506174.db2.gz RTDUPMOUUKJFAQ-UHFFFAOYSA-N 1 2 434.518 0.951 20 0 ICADLO CC[C@@H](CO)[NH+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 ZINC001596656690 1072510489 /nfs/dbraw/zinc/51/04/89/1072510489.db2.gz SUURYGVTMMPVLF-AWEZNQCLSA-N 1 2 431.580 0.422 20 0 ICADLO CC[C@H](CO)[NH+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 ZINC001596656691 1072510407 /nfs/dbraw/zinc/51/04/07/1072510407.db2.gz SUURYGVTMMPVLF-CQSZACIVSA-N 1 2 431.580 0.422 20 0 ICADLO CO[C@]1(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCS(=O)(=O)C1 ZINC001596673640 1072514409 /nfs/dbraw/zinc/51/44/09/1072514409.db2.gz KJBLUJBLDARKFC-LPHOPBHVSA-N 1 2 426.539 0.337 20 0 ICADLO CO[C@]1(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCS(=O)(=O)C1 ZINC001596673640 1072514401 /nfs/dbraw/zinc/51/44/01/1072514401.db2.gz KJBLUJBLDARKFC-LPHOPBHVSA-N 1 2 426.539 0.337 20 0 ICADLO CO[C@@]1(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCS(=O)(=O)C1 ZINC001596673645 1072514943 /nfs/dbraw/zinc/51/49/43/1072514943.db2.gz KJBLUJBLDARKFC-QFBILLFUSA-N 1 2 426.539 0.337 20 0 ICADLO CO[C@@]1(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCS(=O)(=O)C1 ZINC001596673645 1072514931 /nfs/dbraw/zinc/51/49/31/1072514931.db2.gz KJBLUJBLDARKFC-QFBILLFUSA-N 1 2 426.539 0.337 20 0 ICADLO CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001596680396 1072515771 /nfs/dbraw/zinc/51/57/71/1072515771.db2.gz FDQSXBHOSJPVCL-UHFFFAOYSA-N 1 2 429.529 0.368 20 0 ICADLO Cn1nc(I)cc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001596698891 1072516757 /nfs/dbraw/zinc/51/67/57/1072516757.db2.gz BLRJHBOUCMDKLH-UHFFFAOYSA-N 1 2 434.278 0.636 20 0 ICADLO Cn1ncc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1I ZINC001596699675 1072516541 /nfs/dbraw/zinc/51/65/41/1072516541.db2.gz IKVGXSFYCZQNAC-UHFFFAOYSA-N 1 2 434.278 0.636 20 0 ICADLO CC(=O)NCCCn1c(C2CC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001596712940 1072517153 /nfs/dbraw/zinc/51/71/53/1072517153.db2.gz CCHGQZXTINJTCR-FQEVSTJZSA-N 1 2 433.601 0.913 20 0 ICADLO CC(=O)NCCCn1c(C2CC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001596712942 1072517293 /nfs/dbraw/zinc/51/72/93/1072517293.db2.gz CCHGQZXTINJTCR-HXUWFJFHSA-N 1 2 433.601 0.913 20 0 ICADLO CC(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001596737106 1072520095 /nfs/dbraw/zinc/52/00/95/1072520095.db2.gz NQBQUHAJDRIPER-UHFFFAOYSA-N 1 2 440.552 0.811 20 0 ICADLO CC(=O)NCCCn1c(CC2CC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001596737786 1072519995 /nfs/dbraw/zinc/51/99/95/1072519995.db2.gz YMEXFOBUJNVCNG-NRFANRHFSA-N 1 2 447.628 0.988 20 0 ICADLO CC(=O)NCCCn1c(CC2CC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001596737787 1072520044 /nfs/dbraw/zinc/52/00/44/1072520044.db2.gz YMEXFOBUJNVCNG-OAQYLSRUSA-N 1 2 447.628 0.988 20 0 ICADLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001596742381 1072520499 /nfs/dbraw/zinc/52/04/99/1072520499.db2.gz HOJXYCYWRCILOM-ZCNNSNEGSA-N 1 2 445.516 0.823 20 0 ICADLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001596742381 1072520493 /nfs/dbraw/zinc/52/04/93/1072520493.db2.gz HOJXYCYWRCILOM-ZCNNSNEGSA-N 1 2 445.516 0.823 20 0 ICADLO CC(C)NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC001596816376 1072522575 /nfs/dbraw/zinc/52/25/75/1072522575.db2.gz WJFBWCXQWUTEEP-MJGOQNOKSA-N 1 2 425.551 0.869 20 0 ICADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ncn(C)n2)CC1 ZINC001596849630 1072523541 /nfs/dbraw/zinc/52/35/41/1072523541.db2.gz ISMKMMXLBMTMBZ-INIZCTEOSA-N 1 2 429.573 0.885 20 0 ICADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ncn(C)n2)CC1 ZINC001596849632 1072523371 /nfs/dbraw/zinc/52/33/71/1072523371.db2.gz ISMKMMXLBMTMBZ-MRXNPFEDSA-N 1 2 429.573 0.885 20 0 ICADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N(C)C)CC1 ZINC001596857264 1072523823 /nfs/dbraw/zinc/52/38/23/1072523823.db2.gz IVNLRTZIZVECFT-QZTJIDSGSA-N 1 2 447.584 0.741 20 0 ICADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N(C)C)CC1 ZINC001596857265 1072524000 /nfs/dbraw/zinc/52/40/00/1072524000.db2.gz IVNLRTZIZVECFT-ZWKOTPCHSA-N 1 2 447.584 0.741 20 0 ICADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC(=O)N(C)C)CC1 ZINC001596857274 1072523802 /nfs/dbraw/zinc/52/38/02/1072523802.db2.gz IYYRQCWJHSNDDH-INIZCTEOSA-N 1 2 440.552 0.608 20 0 ICADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC(=O)N(C)C)CC1 ZINC001596857275 1072523925 /nfs/dbraw/zinc/52/39/25/1072523925.db2.gz IYYRQCWJHSNDDH-MRXNPFEDSA-N 1 2 440.552 0.608 20 0 ICADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CC(=O)N(C)C)CC1 ZINC001596857286 1072523980 /nfs/dbraw/zinc/52/39/80/1072523980.db2.gz JDYMLTTWYBLQAY-KRWDZBQOSA-N 1 2 442.568 0.505 20 0 ICADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CC(=O)N(C)C)CC1 ZINC001596857287 1072523903 /nfs/dbraw/zinc/52/39/03/1072523903.db2.gz JDYMLTTWYBLQAY-QGZVFWFLSA-N 1 2 442.568 0.505 20 0 ICADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CCC(=O)N(C)C)CC1 ZINC001596858475 1072524282 /nfs/dbraw/zinc/52/42/82/1072524282.db2.gz WHVHYPNZHKVPAW-INIZCTEOSA-N 1 2 442.568 0.551 20 0 ICADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CCC(=O)N(C)C)CC1 ZINC001596858476 1072524300 /nfs/dbraw/zinc/52/43/00/1072524300.db2.gz WHVHYPNZHKVPAW-MRXNPFEDSA-N 1 2 442.568 0.551 20 0 ICADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1CC[NH+]1CCSCC1 ZINC001596876930 1072525265 /nfs/dbraw/zinc/52/52/65/1072525265.db2.gz DTVZQGPGPILJJZ-CABCVRRESA-N 1 2 441.627 0.985 20 0 ICADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1CC[NH+]1CCSCC1 ZINC001596876934 1072525311 /nfs/dbraw/zinc/52/53/11/1072525311.db2.gz DTVZQGPGPILJJZ-GJZGRUSLSA-N 1 2 441.627 0.985 20 0 ICADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1CC[NH+]1CCSCC1 ZINC001596876936 1072525206 /nfs/dbraw/zinc/52/52/06/1072525206.db2.gz DTVZQGPGPILJJZ-HUUCEWRRSA-N 1 2 441.627 0.985 20 0 ICADLO C[C@H]([C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC[NH+]1CCSCC1)S(C)(=O)=O ZINC001596876938 1072525239 /nfs/dbraw/zinc/52/52/39/1072525239.db2.gz DTVZQGPGPILJJZ-LSDHHAIUSA-N 1 2 441.627 0.985 20 0 ICADLO CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CN2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001596925363 1072528691 /nfs/dbraw/zinc/52/86/91/1072528691.db2.gz VUUIODJUEBQSCQ-GOSISDBHSA-N 1 2 444.532 0.835 20 0 ICADLO CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CN2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001596925363 1072528685 /nfs/dbraw/zinc/52/86/85/1072528685.db2.gz VUUIODJUEBQSCQ-GOSISDBHSA-N 1 2 444.532 0.835 20 0 ICADLO CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CN2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001596925365 1072528819 /nfs/dbraw/zinc/52/88/19/1072528819.db2.gz VUUIODJUEBQSCQ-SFHVURJKSA-N 1 2 444.532 0.835 20 0 ICADLO CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CN2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001596925365 1072528813 /nfs/dbraw/zinc/52/88/13/1072528813.db2.gz VUUIODJUEBQSCQ-SFHVURJKSA-N 1 2 444.532 0.835 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)CC1 ZINC001596929937 1072529186 /nfs/dbraw/zinc/52/91/86/1072529186.db2.gz JNFJVLSDROLJKO-UHFFFAOYSA-N 1 2 448.545 0.960 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)CC1 ZINC001596929937 1072529177 /nfs/dbraw/zinc/52/91/77/1072529177.db2.gz JNFJVLSDROLJKO-UHFFFAOYSA-N 1 2 448.545 0.960 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 ZINC001596929954 1072529150 /nfs/dbraw/zinc/52/91/50/1072529150.db2.gz KQTXTWFALUHUEY-UHFFFAOYSA-N 1 2 435.569 0.794 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 ZINC001596929954 1072529145 /nfs/dbraw/zinc/52/91/45/1072529145.db2.gz KQTXTWFALUHUEY-UHFFFAOYSA-N 1 2 435.569 0.794 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC001596929955 1072529306 /nfs/dbraw/zinc/52/93/06/1072529306.db2.gz KRGJARAKEKJKQK-UHFFFAOYSA-N 1 2 440.541 0.894 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC001596929955 1072529299 /nfs/dbraw/zinc/52/92/99/1072529299.db2.gz KRGJARAKEKJKQK-UHFFFAOYSA-N 1 2 440.541 0.894 20 0 ICADLO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC[N@@H+](CC(=O)NC)CC2)cc1 ZINC001596929974 1072529350 /nfs/dbraw/zinc/52/93/50/1072529350.db2.gz LJMBKSTZMBFBPH-UHFFFAOYSA-N 1 2 438.594 0.930 20 0 ICADLO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC[N@H+](CC(=O)NC)CC2)cc1 ZINC001596929974 1072529342 /nfs/dbraw/zinc/52/93/42/1072529342.db2.gz LJMBKSTZMBFBPH-UHFFFAOYSA-N 1 2 438.594 0.930 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001596930029 1072529457 /nfs/dbraw/zinc/52/94/57/1072529457.db2.gz NVAULPZFIAPRFZ-UHFFFAOYSA-N 1 2 432.546 0.789 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001596930029 1072529443 /nfs/dbraw/zinc/52/94/43/1072529443.db2.gz NVAULPZFIAPRFZ-UHFFFAOYSA-N 1 2 432.546 0.789 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC1 ZINC001596930046 1072529231 /nfs/dbraw/zinc/52/92/31/1072529231.db2.gz ORSHIUQMRXMCTO-UHFFFAOYSA-N 1 2 431.356 0.863 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC1 ZINC001596930046 1072529227 /nfs/dbraw/zinc/52/92/27/1072529227.db2.gz ORSHIUQMRXMCTO-UHFFFAOYSA-N 1 2 431.356 0.863 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC001596930065 1072529325 /nfs/dbraw/zinc/52/93/25/1072529325.db2.gz PKOZRKJPLGYPOT-UHFFFAOYSA-N 1 2 436.578 0.684 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC001596930065 1072529320 /nfs/dbraw/zinc/52/93/20/1072529320.db2.gz PKOZRKJPLGYPOT-UHFFFAOYSA-N 1 2 436.578 0.684 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC001596930074 1072529210 /nfs/dbraw/zinc/52/92/10/1072529210.db2.gz QGGVNAJLBVLYJR-INIZCTEOSA-N 1 2 428.489 0.356 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC001596930074 1072529207 /nfs/dbraw/zinc/52/92/07/1072529207.db2.gz QGGVNAJLBVLYJR-INIZCTEOSA-N 1 2 428.489 0.356 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC001596930075 1072529488 /nfs/dbraw/zinc/52/94/88/1072529488.db2.gz QGGVNAJLBVLYJR-MRXNPFEDSA-N 1 2 428.489 0.356 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC001596930075 1072529475 /nfs/dbraw/zinc/52/94/75/1072529475.db2.gz QGGVNAJLBVLYJR-MRXNPFEDSA-N 1 2 428.489 0.356 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC001596930085 1072530205 /nfs/dbraw/zinc/53/02/05/1072530205.db2.gz QMYFOSLNHRUTAB-UHFFFAOYSA-N 1 2 426.539 0.276 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC001596930085 1072530194 /nfs/dbraw/zinc/53/01/94/1072530194.db2.gz QMYFOSLNHRUTAB-UHFFFAOYSA-N 1 2 426.539 0.276 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)CC1 ZINC001596930100 1072529805 /nfs/dbraw/zinc/52/98/05/1072529805.db2.gz RBNJRMWTZCINBY-UHFFFAOYSA-N 1 2 445.520 0.474 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)CC1 ZINC001596930100 1072529798 /nfs/dbraw/zinc/52/97/98/1072529798.db2.gz RBNJRMWTZCINBY-UHFFFAOYSA-N 1 2 445.520 0.474 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 ZINC001596930114 1072529892 /nfs/dbraw/zinc/52/98/92/1072529892.db2.gz RPNZCXPVDYXADV-KRWDZBQOSA-N 1 2 432.546 0.685 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 ZINC001596930114 1072529882 /nfs/dbraw/zinc/52/98/82/1072529882.db2.gz RPNZCXPVDYXADV-KRWDZBQOSA-N 1 2 432.546 0.685 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 ZINC001596930115 1072530043 /nfs/dbraw/zinc/53/00/43/1072530043.db2.gz RPNZCXPVDYXADV-QGZVFWFLSA-N 1 2 432.546 0.685 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 ZINC001596930115 1072530029 /nfs/dbraw/zinc/53/00/29/1072530029.db2.gz RPNZCXPVDYXADV-QGZVFWFLSA-N 1 2 432.546 0.685 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC001596935957 1072530080 /nfs/dbraw/zinc/53/00/80/1072530080.db2.gz CDHBHAYQXMCRTQ-UHFFFAOYSA-N 1 2 436.456 0.971 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC001596935957 1072530069 /nfs/dbraw/zinc/53/00/69/1072530069.db2.gz CDHBHAYQXMCRTQ-UHFFFAOYSA-N 1 2 436.456 0.971 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC001596936042 1072529945 /nfs/dbraw/zinc/52/99/45/1072529945.db2.gz GBZDRZVWKNNQGI-KRWDZBQOSA-N 1 2 425.327 0.907 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC001596936042 1072529931 /nfs/dbraw/zinc/52/99/31/1072529931.db2.gz GBZDRZVWKNNQGI-KRWDZBQOSA-N 1 2 425.327 0.907 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC001596936043 1072530174 /nfs/dbraw/zinc/53/01/74/1072530174.db2.gz GBZDRZVWKNNQGI-QGZVFWFLSA-N 1 2 425.327 0.907 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC1 ZINC001596936043 1072530161 /nfs/dbraw/zinc/53/01/61/1072530161.db2.gz GBZDRZVWKNNQGI-QGZVFWFLSA-N 1 2 425.327 0.907 20 0 ICADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CC1 ZINC001596936226 1072529858 /nfs/dbraw/zinc/52/98/58/1072529858.db2.gz HJYDAIVHXFDFHF-UHFFFAOYSA-N 1 2 431.518 0.924 20 0 ICADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CC1 ZINC001596936226 1072529850 /nfs/dbraw/zinc/52/98/50/1072529850.db2.gz HJYDAIVHXFDFHF-UHFFFAOYSA-N 1 2 431.518 0.924 20 0 ICADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cc(S(N)(=O)=O)cnc3C)CC2)c1 ZINC001596988704 1072532773 /nfs/dbraw/zinc/53/27/73/1072532773.db2.gz LKJFMNCOKPRFGF-UHFFFAOYSA-N 1 2 434.518 0.883 20 0 ICADLO COCCCN(C(=O)Cc1c[nH+]cn1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001597062928 1072535753 /nfs/dbraw/zinc/53/57/53/1072535753.db2.gz NJDFWMSYALXDHU-UHFFFAOYSA-N 1 2 426.477 0.925 20 0 ICADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001597083269 1072536148 /nfs/dbraw/zinc/53/61/48/1072536148.db2.gz HOWIRMYJSAYKID-UHFFFAOYSA-N 1 2 440.508 0.371 20 0 ICADLO O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001597084146 1072536182 /nfs/dbraw/zinc/53/61/82/1072536182.db2.gz QKLLIMHOVQKTNL-KRWDZBQOSA-N 1 2 442.524 0.878 20 0 ICADLO O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001597084146 1072536174 /nfs/dbraw/zinc/53/61/74/1072536174.db2.gz QKLLIMHOVQKTNL-KRWDZBQOSA-N 1 2 442.524 0.878 20 0 ICADLO NS(=O)(=O)c1ccc(Br)c(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1 ZINC001597140820 1072538743 /nfs/dbraw/zinc/53/87/43/1072538743.db2.gz DFEJVJBHAGWMPQ-AWEZNQCLSA-N 1 2 446.323 0.606 20 0 ICADLO NS(=O)(=O)c1ccc(Br)c(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)c1 ZINC001597140822 1072538672 /nfs/dbraw/zinc/53/86/72/1072538672.db2.gz DFEJVJBHAGWMPQ-CQSZACIVSA-N 1 2 446.323 0.606 20 0 ICADLO O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001597141860 1072539330 /nfs/dbraw/zinc/53/93/30/1072539330.db2.gz MAGGEYVHTIERAY-KRWDZBQOSA-N 1 2 427.498 0.780 20 0 ICADLO O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001597141862 1072539097 /nfs/dbraw/zinc/53/90/97/1072539097.db2.gz MAGGEYVHTIERAY-QGZVFWFLSA-N 1 2 427.498 0.780 20 0 ICADLO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)c1 ZINC001597142209 1072539284 /nfs/dbraw/zinc/53/92/84/1072539284.db2.gz RAECXGYYEDFVLC-GOSISDBHSA-N 1 2 437.518 0.454 20 0 ICADLO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1 ZINC001597142210 1072539305 /nfs/dbraw/zinc/53/93/05/1072539305.db2.gz RAECXGYYEDFVLC-SFHVURJKSA-N 1 2 437.518 0.454 20 0 ICADLO COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)c1 ZINC001597142211 1072539209 /nfs/dbraw/zinc/53/92/09/1072539209.db2.gz RBRLJPFDYLOYMV-GOSISDBHSA-N 1 2 439.534 0.429 20 0 ICADLO COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1 ZINC001597142212 1072539082 /nfs/dbraw/zinc/53/90/82/1072539082.db2.gz RBRLJPFDYLOYMV-SFHVURJKSA-N 1 2 439.534 0.429 20 0 ICADLO Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001597146769 1072539054 /nfs/dbraw/zinc/53/90/54/1072539054.db2.gz AVVMQJPMWYSWCQ-KRWDZBQOSA-N 1 2 438.550 0.709 20 0 ICADLO Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001597146770 1072539028 /nfs/dbraw/zinc/53/90/28/1072539028.db2.gz AVVMQJPMWYSWCQ-QGZVFWFLSA-N 1 2 438.550 0.709 20 0 ICADLO NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1Br ZINC001597146773 1072539162 /nfs/dbraw/zinc/53/91/62/1072539162.db2.gz AXCABTHBMRXJKN-CYBMUJFWSA-N 1 2 446.323 0.606 20 0 ICADLO NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1Br ZINC001597146774 1072539234 /nfs/dbraw/zinc/53/92/34/1072539234.db2.gz AXCABTHBMRXJKN-ZDUSSCGKSA-N 1 2 446.323 0.606 20 0 ICADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)NC3CC[NH+]([C@H]4CCOC4=O)CC3)ccc21 ZINC001597146817 1072539265 /nfs/dbraw/zinc/53/92/65/1072539265.db2.gz CJVWDKKHFPDNIS-IBGZPJMESA-N 1 2 428.489 0.222 20 0 ICADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)NC3CC[NH+]([C@@H]4CCOC4=O)CC3)ccc21 ZINC001597146818 1072539131 /nfs/dbraw/zinc/53/91/31/1072539131.db2.gz CJVWDKKHFPDNIS-LJQANCHMSA-N 1 2 428.489 0.222 20 0 ICADLO Cc1oc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1S(=O)(=O)N1CCCC1 ZINC001597148635 1072539776 /nfs/dbraw/zinc/53/97/76/1072539776.db2.gz OVOAADQDCVHUKK-HNNXBMFYSA-N 1 2 425.507 0.882 20 0 ICADLO Cc1oc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1S(=O)(=O)N1CCCC1 ZINC001597148636 1072539642 /nfs/dbraw/zinc/53/96/42/1072539642.db2.gz OVOAADQDCVHUKK-OAHLLOKOSA-N 1 2 425.507 0.882 20 0 ICADLO COCCNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1 ZINC001597148774 1072539707 /nfs/dbraw/zinc/53/97/07/1072539707.db2.gz QMLSHILJJCJYEZ-KRWDZBQOSA-N 1 2 425.507 0.121 20 0 ICADLO COCCNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1 ZINC001597148776 1072539808 /nfs/dbraw/zinc/53/98/08/1072539808.db2.gz QMLSHILJJCJYEZ-QGZVFWFLSA-N 1 2 425.507 0.121 20 0 ICADLO CCN1C(=O)CO[C@H](C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)[C@H]1c1ccnn1C ZINC001597171020 1072542057 /nfs/dbraw/zinc/54/20/57/1072542057.db2.gz VTSNGEJTFHAANN-UXHICEINSA-N 1 2 449.552 0.631 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)c1 ZINC001597177526 1072542080 /nfs/dbraw/zinc/54/20/80/1072542080.db2.gz PWSBEAAOEKKBKV-KRWDZBQOSA-N 1 2 437.500 0.571 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)c1 ZINC001597177526 1072542071 /nfs/dbraw/zinc/54/20/71/1072542071.db2.gz PWSBEAAOEKKBKV-KRWDZBQOSA-N 1 2 437.500 0.571 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)c1 ZINC001597177527 1072542279 /nfs/dbraw/zinc/54/22/79/1072542279.db2.gz PWSBEAAOEKKBKV-QGZVFWFLSA-N 1 2 437.500 0.571 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)C2)c1 ZINC001597177527 1072542266 /nfs/dbraw/zinc/54/22/66/1072542266.db2.gz PWSBEAAOEKKBKV-QGZVFWFLSA-N 1 2 437.500 0.571 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)C2)c1 ZINC001597178021 1072542154 /nfs/dbraw/zinc/54/21/54/1072542154.db2.gz WTCUJXSANUFGID-KRWDZBQOSA-N 1 2 433.534 0.456 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)C2)c1 ZINC001597178021 1072542143 /nfs/dbraw/zinc/54/21/43/1072542143.db2.gz WTCUJXSANUFGID-KRWDZBQOSA-N 1 2 433.534 0.456 20 0 ICADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)C2)c1 ZINC001597178022 1072542043 /nfs/dbraw/zinc/54/20/43/1072542043.db2.gz WTCUJXSANUFGID-QGZVFWFLSA-N 1 2 433.534 0.456 20 0 ICADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)C2)c1 ZINC001597178022 1072542037 /nfs/dbraw/zinc/54/20/37/1072542037.db2.gz WTCUJXSANUFGID-QGZVFWFLSA-N 1 2 433.534 0.456 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)C2)cc1 ZINC001597202586 1072543287 /nfs/dbraw/zinc/54/32/87/1072543287.db2.gz DFHFOKLKQKDLRE-KRWDZBQOSA-N 1 2 439.516 0.515 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)C2)cc1 ZINC001597202586 1072543279 /nfs/dbraw/zinc/54/32/79/1072543279.db2.gz DFHFOKLKQKDLRE-KRWDZBQOSA-N 1 2 439.516 0.515 20 0 ICADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)C2)cc1 ZINC001597202590 1072543158 /nfs/dbraw/zinc/54/31/58/1072543158.db2.gz DFHFOKLKQKDLRE-QGZVFWFLSA-N 1 2 439.516 0.515 20 0 ICADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)C2)cc1 ZINC001597202590 1072543151 /nfs/dbraw/zinc/54/31/51/1072543151.db2.gz DFHFOKLKQKDLRE-QGZVFWFLSA-N 1 2 439.516 0.515 20 0 ICADLO O=C(NCc1ccc(F)nc1Br)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001597298233 1072546320 /nfs/dbraw/zinc/54/63/20/1072546320.db2.gz KPQKPWNTDHVUNX-CYBMUJFWSA-N 1 2 429.290 0.780 20 0 ICADLO O=C(NCc1ccc(F)nc1Br)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001597298235 1072547186 /nfs/dbraw/zinc/54/71/86/1072547186.db2.gz KPQKPWNTDHVUNX-ZDUSSCGKSA-N 1 2 429.290 0.780 20 0 ICADLO O=C(c1cnc(I)c(O)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001597313540 1072547543 /nfs/dbraw/zinc/54/75/43/1072547543.db2.gz WIIOHOBKRRSXKH-UHFFFAOYSA-N 1 2 447.273 0.691 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)CC1 ZINC001597324668 1072548808 /nfs/dbraw/zinc/54/88/08/1072548808.db2.gz AHZQZHAGCNPRJD-UHFFFAOYSA-N 1 2 425.551 0.954 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)CC1 ZINC001597325570 1072548828 /nfs/dbraw/zinc/54/88/28/1072548828.db2.gz LGVXWWFWXDIBFF-FQEVSTJZSA-N 1 2 435.521 0.830 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)CC1 ZINC001597325571 1072548757 /nfs/dbraw/zinc/54/87/57/1072548757.db2.gz LGVXWWFWXDIBFF-HXUWFJFHSA-N 1 2 435.521 0.830 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1 ZINC001597326450 1072548729 /nfs/dbraw/zinc/54/87/29/1072548729.db2.gz XCAHBCTYWBTWCG-INIZCTEOSA-N 1 2 435.521 0.862 20 0 ICADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1 ZINC001597326452 1072548963 /nfs/dbraw/zinc/54/89/63/1072548963.db2.gz XCAHBCTYWBTWCG-MRXNPFEDSA-N 1 2 435.521 0.862 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)CC1 ZINC001597404216 1072553495 /nfs/dbraw/zinc/55/34/95/1072553495.db2.gz AQAGIESKRJQGCT-BEFAXECRSA-N 1 2 427.571 0.252 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)CC1 ZINC001597404218 1072553596 /nfs/dbraw/zinc/55/35/96/1072553596.db2.gz AQAGIESKRJQGCT-DNVCBOLYSA-N 1 2 427.571 0.252 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)CC1 ZINC001597404221 1072553292 /nfs/dbraw/zinc/55/32/92/1072553292.db2.gz AQAGIESKRJQGCT-HNAYVOBHSA-N 1 2 427.571 0.252 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)CC1 ZINC001597404223 1072553538 /nfs/dbraw/zinc/55/35/38/1072553538.db2.gz AQAGIESKRJQGCT-KXBFYZLASA-N 1 2 427.571 0.252 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001597404278 1072553457 /nfs/dbraw/zinc/55/34/57/1072553457.db2.gz BQYRYHOKFPNQFC-BEFAXECRSA-N 1 2 427.571 0.252 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001597404280 1072554191 /nfs/dbraw/zinc/55/41/91/1072554191.db2.gz BQYRYHOKFPNQFC-DNVCBOLYSA-N 1 2 427.571 0.252 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001597404283 1072554075 /nfs/dbraw/zinc/55/40/75/1072554075.db2.gz BQYRYHOKFPNQFC-HNAYVOBHSA-N 1 2 427.571 0.252 20 0 ICADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001597404285 1072553947 /nfs/dbraw/zinc/55/39/47/1072553947.db2.gz BQYRYHOKFPNQFC-KXBFYZLASA-N 1 2 427.571 0.252 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001597595042 1072566854 /nfs/dbraw/zinc/56/68/54/1072566854.db2.gz LRTZBVGJCAJTFK-GMBSWORKSA-N 1 2 426.539 0.336 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001597595042 1072566841 /nfs/dbraw/zinc/56/68/41/1072566841.db2.gz LRTZBVGJCAJTFK-GMBSWORKSA-N 1 2 426.539 0.336 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001597595044 1072566660 /nfs/dbraw/zinc/56/66/60/1072566660.db2.gz LRTZBVGJCAJTFK-IDHHARJASA-N 1 2 426.539 0.336 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001597595044 1072566641 /nfs/dbraw/zinc/56/66/41/1072566641.db2.gz LRTZBVGJCAJTFK-IDHHARJASA-N 1 2 426.539 0.336 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001597595047 1072566429 /nfs/dbraw/zinc/56/64/29/1072566429.db2.gz LRTZBVGJCAJTFK-OGWOLHLISA-N 1 2 426.539 0.336 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001597595047 1072566414 /nfs/dbraw/zinc/56/64/14/1072566414.db2.gz LRTZBVGJCAJTFK-OGWOLHLISA-N 1 2 426.539 0.336 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001597595049 1072566543 /nfs/dbraw/zinc/56/65/43/1072566543.db2.gz LRTZBVGJCAJTFK-ZSZQSSIHSA-N 1 2 426.539 0.336 20 0 ICADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001597595049 1072566528 /nfs/dbraw/zinc/56/65/28/1072566528.db2.gz LRTZBVGJCAJTFK-ZSZQSSIHSA-N 1 2 426.539 0.336 20 0 ICADLO O=C(CN1CCCC2(CC2)S1(=O)=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001597697927 1072571930 /nfs/dbraw/zinc/57/19/30/1072571930.db2.gz KUKJBEKBLTUJSC-UHFFFAOYSA-N 1 2 437.562 0.972 20 0 ICADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001597722394 1072574012 /nfs/dbraw/zinc/57/40/12/1072574012.db2.gz PTEWHYMSCSJAEO-MRXNPFEDSA-N 1 2 438.481 0.850 20 0 ICADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001597722394 1072574000 /nfs/dbraw/zinc/57/40/00/1072574000.db2.gz PTEWHYMSCSJAEO-MRXNPFEDSA-N 1 2 438.481 0.850 20 0 ICADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC001597729429 1072574101 /nfs/dbraw/zinc/57/41/01/1072574101.db2.gz DARDLDVCFJFGSI-DOTOQJQBSA-N 1 2 436.490 0.381 20 0 ICADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC001597729429 1072574096 /nfs/dbraw/zinc/57/40/96/1072574096.db2.gz DARDLDVCFJFGSI-DOTOQJQBSA-N 1 2 436.490 0.381 20 0 ICADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC001597729431 1072573962 /nfs/dbraw/zinc/57/39/62/1072573962.db2.gz DARDLDVCFJFGSI-NVXWUHKLSA-N 1 2 436.490 0.381 20 0 ICADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC001597729431 1072573941 /nfs/dbraw/zinc/57/39/41/1072573941.db2.gz DARDLDVCFJFGSI-NVXWUHKLSA-N 1 2 436.490 0.381 20 0 ICADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 ZINC001597730695 1072573845 /nfs/dbraw/zinc/57/38/45/1072573845.db2.gz OEUHNSXGKXEQFQ-GOSISDBHSA-N 1 2 429.477 0.564 20 0 ICADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 ZINC001597730695 1072573834 /nfs/dbraw/zinc/57/38/34/1072573834.db2.gz OEUHNSXGKXEQFQ-GOSISDBHSA-N 1 2 429.477 0.564 20 0 ICADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 ZINC001597731383 1072573898 /nfs/dbraw/zinc/57/38/98/1072573898.db2.gz ZUWIFMLEWYMWLE-IUODEOHRSA-N 1 2 446.460 0.689 20 0 ICADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 ZINC001597731383 1072573886 /nfs/dbraw/zinc/57/38/86/1072573886.db2.gz ZUWIFMLEWYMWLE-IUODEOHRSA-N 1 2 446.460 0.689 20 0 ICADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 ZINC001597731384 1072573757 /nfs/dbraw/zinc/57/37/57/1072573757.db2.gz ZUWIFMLEWYMWLE-SWLSCSKDSA-N 1 2 446.460 0.689 20 0 ICADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 ZINC001597731384 1072573746 /nfs/dbraw/zinc/57/37/46/1072573746.db2.gz ZUWIFMLEWYMWLE-SWLSCSKDSA-N 1 2 446.460 0.689 20 0 ICADLO CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001597744808 1072574603 /nfs/dbraw/zinc/57/46/03/1072574603.db2.gz BODOQJDRECAGTK-MRXNPFEDSA-N 1 2 433.557 0.327 20 0 ICADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001597760710 1072575055 /nfs/dbraw/zinc/57/50/55/1072575055.db2.gz QQRMHMAXLCIKHO-UHFFFAOYSA-N 1 2 438.594 0.853 20 0 ICADLO C[NH+](C)Cc1nc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)co1 ZINC001597858782 1072580171 /nfs/dbraw/zinc/58/01/71/1072580171.db2.gz XRPYAMYLTPQTAQ-UHFFFAOYSA-N 1 2 438.506 0.882 20 0 ICADLO NC(=O)c1cc(OC2CCN(C(=O)c3cccn3CC[NH+]3CCOCC3)CC2)ccn1 ZINC001597892676 1072581663 /nfs/dbraw/zinc/58/16/63/1072581663.db2.gz JXLYIXRBWNBJJY-UHFFFAOYSA-N 1 2 427.505 0.998 20 0 ICADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001597907375 1072581440 /nfs/dbraw/zinc/58/14/40/1072581440.db2.gz DXJSFADFHCJXKK-UHFFFAOYSA-N 1 2 426.539 0.291 20 0 ICADLO COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001597950028 1072585269 /nfs/dbraw/zinc/58/52/69/1072585269.db2.gz DSXOBUUAWSSSID-GTCCEBARSA-N 1 2 430.505 0.964 20 0 ICADLO COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001597950029 1072585438 /nfs/dbraw/zinc/58/54/38/1072585438.db2.gz DSXOBUUAWSSSID-WVBUVRCRSA-N 1 2 430.505 0.964 20 0 ICADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001597985031 1072589491 /nfs/dbraw/zinc/58/94/91/1072589491.db2.gz DTBDNONWKQXOEW-KSZLIROESA-N 1 2 447.584 0.691 20 0 ICADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001597985032 1072589599 /nfs/dbraw/zinc/58/95/99/1072589599.db2.gz DTBDNONWKQXOEW-KURKYZTESA-N 1 2 447.584 0.691 20 0 ICADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001597985033 1072589790 /nfs/dbraw/zinc/58/97/90/1072589790.db2.gz DTBDNONWKQXOEW-KZNAEPCWSA-N 1 2 447.584 0.691 20 0 ICADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001597985034 1072589730 /nfs/dbraw/zinc/58/97/30/1072589730.db2.gz DTBDNONWKQXOEW-RCCFBDPRSA-N 1 2 447.584 0.691 20 0 ICADLO CC(C)C(=O)NCCN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001598083636 1072600276 /nfs/dbraw/zinc/60/02/76/1072600276.db2.gz DJZIUEOOQKEBMD-UHFFFAOYSA-N 1 2 449.600 0.833 20 0 ICADLO CC(C)C(=O)NCCN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001598083636 1072600263 /nfs/dbraw/zinc/60/02/63/1072600263.db2.gz DJZIUEOOQKEBMD-UHFFFAOYSA-N 1 2 449.600 0.833 20 0 ICADLO CC(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001598129544 1072605413 /nfs/dbraw/zinc/60/54/13/1072605413.db2.gz OOVRNQWCVABROW-INIZCTEOSA-N 1 2 442.568 0.835 20 0 ICADLO CC(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001598129545 1072605266 /nfs/dbraw/zinc/60/52/66/1072605266.db2.gz OOVRNQWCVABROW-MRXNPFEDSA-N 1 2 442.568 0.835 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(C)(C)C1 ZINC001598142000 1072606688 /nfs/dbraw/zinc/60/66/88/1072606688.db2.gz KPIDIDIFUCSPNU-DLBZAZTESA-N 1 2 438.569 0.929 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(C)(C)C1 ZINC001598142003 1072606621 /nfs/dbraw/zinc/60/66/21/1072606621.db2.gz KPIDIDIFUCSPNU-IAGOWNOFSA-N 1 2 438.569 0.929 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(C)(C)C1 ZINC001598142007 1072606709 /nfs/dbraw/zinc/60/67/09/1072606709.db2.gz KPIDIDIFUCSPNU-IRXDYDNUSA-N 1 2 438.569 0.929 20 0 ICADLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(C)(C)C1 ZINC001598142011 1072606538 /nfs/dbraw/zinc/60/65/38/1072606538.db2.gz KPIDIDIFUCSPNU-SJORKVTESA-N 1 2 438.569 0.929 20 0 ICADLO C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C[C@H]1CS(N)(=O)=O ZINC001598221456 1072613232 /nfs/dbraw/zinc/61/32/32/1072613232.db2.gz IKMVRCUHDQDSHQ-KMFMINBZSA-N 1 2 425.555 0.400 20 0 ICADLO C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C[C@H]1CS(N)(=O)=O ZINC001598221456 1072613220 /nfs/dbraw/zinc/61/32/20/1072613220.db2.gz IKMVRCUHDQDSHQ-KMFMINBZSA-N 1 2 425.555 0.400 20 0 ICADLO O=C(CCNC(=O)c1ccnc(N2CCOCC2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC001598269219 1072614799 /nfs/dbraw/zinc/61/47/99/1072614799.db2.gz JVTDAGMORISOIP-UHFFFAOYSA-N 1 2 425.493 0.177 20 0 ICADLO CC(C)(C)OC(=O)N1CC(O)(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001598269272 1072614986 /nfs/dbraw/zinc/61/49/86/1072614986.db2.gz MLTXQDURNPHZSF-UHFFFAOYSA-N 1 2 433.509 0.218 20 0 ICADLO O=C(CCNC(=O)c1ccc(CN2CCOCC2)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC001598269305 1072615016 /nfs/dbraw/zinc/61/50/16/1072615016.db2.gz NNFACYXDXWLEAU-UHFFFAOYSA-N 1 2 427.505 0.976 20 0 ICADLO CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001598269420 1072614851 /nfs/dbraw/zinc/61/48/51/1072614851.db2.gz RSKNETWJIZRUHZ-INIZCTEOSA-N 1 2 435.525 0.512 20 0 ICADLO CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001598269421 1072614980 /nfs/dbraw/zinc/61/49/80/1072614980.db2.gz RSKNETWJIZRUHZ-MRXNPFEDSA-N 1 2 435.525 0.512 20 0 ICADLO CS(=O)(=O)c1ccc(N)c(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001598269441 1072615006 /nfs/dbraw/zinc/61/50/06/1072615006.db2.gz SSUXCVKFZCEQLA-UHFFFAOYSA-N 1 2 431.518 0.536 20 0 ICADLO O=C(CCNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC001598269496 1072614918 /nfs/dbraw/zinc/61/49/18/1072614918.db2.gz WFOMZHDXPMMEAO-PMACEKPBSA-N 1 2 438.488 0.207 20 0 ICADLO O=C(CCNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC001598269497 1072614995 /nfs/dbraw/zinc/61/49/95/1072614995.db2.gz WFOMZHDXPMMEAO-UXHICEINSA-N 1 2 438.488 0.207 20 0 ICADLO O=C(CCNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC001598269498 1072614907 /nfs/dbraw/zinc/61/49/07/1072614907.db2.gz WFOMZHDXPMMEAO-VQTJNVASSA-N 1 2 438.488 0.207 20 0 ICADLO O=C(CCNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC001598269499 1072614972 /nfs/dbraw/zinc/61/49/72/1072614972.db2.gz WFOMZHDXPMMEAO-WOJBJXKFSA-N 1 2 438.488 0.207 20 0 ICADLO Cc1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1N1CCOCC1=O ZINC001598415735 1072623673 /nfs/dbraw/zinc/62/36/73/1072623673.db2.gz BAGHUTBHAXERLJ-KRWDZBQOSA-N 1 2 430.505 0.477 20 0 ICADLO Cc1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1N1CCOCC1=O ZINC001598415739 1072623812 /nfs/dbraw/zinc/62/38/12/1072623812.db2.gz BAGHUTBHAXERLJ-QGZVFWFLSA-N 1 2 430.505 0.477 20 0 ICADLO CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001598569892 1072628563 /nfs/dbraw/zinc/62/85/63/1072628563.db2.gz MBUHNSUUZUZAOL-DOTOQJQBSA-N 1 2 433.557 0.889 20 0 ICADLO CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001598569892 1072628557 /nfs/dbraw/zinc/62/85/57/1072628557.db2.gz MBUHNSUUZUZAOL-DOTOQJQBSA-N 1 2 433.557 0.889 20 0 ICADLO CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001598569893 1072629276 /nfs/dbraw/zinc/62/92/76/1072629276.db2.gz MBUHNSUUZUZAOL-NVXWUHKLSA-N 1 2 433.557 0.889 20 0 ICADLO CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001598569893 1072629273 /nfs/dbraw/zinc/62/92/73/1072629273.db2.gz MBUHNSUUZUZAOL-NVXWUHKLSA-N 1 2 433.557 0.889 20 0 ICADLO CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001598569894 1072629260 /nfs/dbraw/zinc/62/92/60/1072629260.db2.gz MBUHNSUUZUZAOL-RDJZCZTQSA-N 1 2 433.557 0.889 20 0 ICADLO CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001598569894 1072629256 /nfs/dbraw/zinc/62/92/56/1072629256.db2.gz MBUHNSUUZUZAOL-RDJZCZTQSA-N 1 2 433.557 0.889 20 0 ICADLO CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001598569895 1072629088 /nfs/dbraw/zinc/62/90/88/1072629088.db2.gz MBUHNSUUZUZAOL-WBVHZDCISA-N 1 2 433.557 0.889 20 0 ICADLO CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001598569895 1072629081 /nfs/dbraw/zinc/62/90/81/1072629081.db2.gz MBUHNSUUZUZAOL-WBVHZDCISA-N 1 2 433.557 0.889 20 0 ICADLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CCO1 ZINC001602731768 1072632119 /nfs/dbraw/zinc/63/21/19/1072632119.db2.gz RKIHGOJYXQCIBU-UHFFFAOYSA-N 1 2 425.551 0.673 20 0 ICADLO CC1(C)C[N@H+](CCNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CCO1 ZINC001602731768 1072632116 /nfs/dbraw/zinc/63/21/16/1072632116.db2.gz RKIHGOJYXQCIBU-UHFFFAOYSA-N 1 2 425.551 0.673 20 0 ICADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(=O)NCC(F)F ZINC001602814779 1072634050 /nfs/dbraw/zinc/63/40/50/1072634050.db2.gz XLCOUEBLNQPMPL-HNNXBMFYSA-N 1 2 441.527 0.916 20 0 ICADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC(=O)NCC(F)F ZINC001602814786 1072634073 /nfs/dbraw/zinc/63/40/73/1072634073.db2.gz XLCOUEBLNQPMPL-OAHLLOKOSA-N 1 2 441.527 0.916 20 0 ICADLO COCCN(CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001602875608 1072635046 /nfs/dbraw/zinc/63/50/46/1072635046.db2.gz FIQHESNEVMCMDZ-KRWDZBQOSA-N 1 2 442.557 0.167 20 0 ICADLO COCCN(CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001602875610 1072635232 /nfs/dbraw/zinc/63/52/32/1072635232.db2.gz FIQHESNEVMCMDZ-QGZVFWFLSA-N 1 2 442.557 0.167 20 0 ICADLO CC(C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001602884419 1072635364 /nfs/dbraw/zinc/63/53/64/1072635364.db2.gz SHUNZRTVNSESSN-MOPGFXCFSA-N 1 2 433.601 0.911 20 0 ICADLO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001602884421 1072635402 /nfs/dbraw/zinc/63/54/02/1072635402.db2.gz SHUNZRTVNSESSN-RTBURBONSA-N 1 2 433.601 0.911 20 0 ICADLO CC(C)(C)OC(=O)C1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCS(=O)(=O)CC1 ZINC001603335206 1072646034 /nfs/dbraw/zinc/64/60/34/1072646034.db2.gz FXOFQIRVNQFTCO-CVEARBPZSA-N 1 2 430.567 0.581 20 0 ICADLO CC(C)(C)OC(=O)C1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCS(=O)(=O)CC1 ZINC001603335206 1072646031 /nfs/dbraw/zinc/64/60/31/1072646031.db2.gz FXOFQIRVNQFTCO-CVEARBPZSA-N 1 2 430.567 0.581 20 0 ICADLO CC(C)(C)OC(=O)C1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCS(=O)(=O)CC1 ZINC001603335209 1072645893 /nfs/dbraw/zinc/64/58/93/1072645893.db2.gz FXOFQIRVNQFTCO-HOTGVXAUSA-N 1 2 430.567 0.581 20 0 ICADLO CC(C)(C)OC(=O)C1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCS(=O)(=O)CC1 ZINC001603335209 1072645888 /nfs/dbraw/zinc/64/58/88/1072645888.db2.gz FXOFQIRVNQFTCO-HOTGVXAUSA-N 1 2 430.567 0.581 20 0 ICADLO CC(C)(C)OC(=O)C1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCS(=O)(=O)CC1 ZINC001603335213 1072645949 /nfs/dbraw/zinc/64/59/49/1072645949.db2.gz FXOFQIRVNQFTCO-HZPDHXFCSA-N 1 2 430.567 0.581 20 0 ICADLO CC(C)(C)OC(=O)C1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCS(=O)(=O)CC1 ZINC001603335213 1072645945 /nfs/dbraw/zinc/64/59/45/1072645945.db2.gz FXOFQIRVNQFTCO-HZPDHXFCSA-N 1 2 430.567 0.581 20 0 ICADLO CC(C)(C)OC(=O)C1(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCS(=O)(=O)CC1 ZINC001603335221 1072645922 /nfs/dbraw/zinc/64/59/22/1072645922.db2.gz FXOFQIRVNQFTCO-JKSUJKDBSA-N 1 2 430.567 0.581 20 0 ICADLO CC(C)(C)OC(=O)C1(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCS(=O)(=O)CC1 ZINC001603335221 1072645920 /nfs/dbraw/zinc/64/59/20/1072645920.db2.gz FXOFQIRVNQFTCO-JKSUJKDBSA-N 1 2 430.567 0.581 20 0 ICADLO CC(C)Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001603597327 1072653308 /nfs/dbraw/zinc/65/33/08/1072653308.db2.gz WHGCNDCFINXJMM-MSOLQXFVSA-N 1 2 442.630 0.963 20 0 ICADLO CC(C)Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001603597328 1072653364 /nfs/dbraw/zinc/65/33/64/1072653364.db2.gz WHGCNDCFINXJMM-QZTJIDSGSA-N 1 2 442.630 0.963 20 0 ICADLO CC(C)Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001603597329 1072653295 /nfs/dbraw/zinc/65/32/95/1072653295.db2.gz WHGCNDCFINXJMM-ROUUACIJSA-N 1 2 442.630 0.963 20 0 ICADLO CC(C)Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001603597330 1072653260 /nfs/dbraw/zinc/65/32/60/1072653260.db2.gz WHGCNDCFINXJMM-ZWKOTPCHSA-N 1 2 442.630 0.963 20 0 ICADLO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001603641838 1072654254 /nfs/dbraw/zinc/65/42/54/1072654254.db2.gz KSBMTGXNUDJELF-GOSISDBHSA-N 1 2 449.600 0.371 20 0 ICADLO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001603641838 1072654247 /nfs/dbraw/zinc/65/42/47/1072654247.db2.gz KSBMTGXNUDJELF-GOSISDBHSA-N 1 2 449.600 0.371 20 0 ICADLO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001603641841 1072654391 /nfs/dbraw/zinc/65/43/91/1072654391.db2.gz KSBMTGXNUDJELF-SFHVURJKSA-N 1 2 449.600 0.371 20 0 ICADLO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001603641841 1072654387 /nfs/dbraw/zinc/65/43/87/1072654387.db2.gz KSBMTGXNUDJELF-SFHVURJKSA-N 1 2 449.600 0.371 20 0 ICADLO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001603642429 1072654370 /nfs/dbraw/zinc/65/43/70/1072654370.db2.gz PZOOSAAZODTLQF-GOSISDBHSA-N 1 2 449.600 0.371 20 0 ICADLO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001603642430 1072654353 /nfs/dbraw/zinc/65/43/53/1072654353.db2.gz PZOOSAAZODTLQF-SFHVURJKSA-N 1 2 449.600 0.371 20 0 ICADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001603662375 1072655402 /nfs/dbraw/zinc/65/54/02/1072655402.db2.gz GYMFIPGRROPCBD-QZTJIDSGSA-N 1 2 431.585 0.888 20 0 ICADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001603662376 1072655370 /nfs/dbraw/zinc/65/53/70/1072655370.db2.gz GYMFIPGRROPCBD-ZWKOTPCHSA-N 1 2 431.585 0.888 20 0 ICADLO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCn1cncn1 ZINC001606591187 1072661044 /nfs/dbraw/zinc/66/10/44/1072661044.db2.gz QNJZNQPCFCLWPA-FQEVSTJZSA-N 1 2 445.616 1.000 20 0 ICADLO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCn1cncn1 ZINC001606591191 1072661000 /nfs/dbraw/zinc/66/10/00/1072661000.db2.gz QNJZNQPCFCLWPA-HXUWFJFHSA-N 1 2 445.616 1.000 20 0 ICADLO CC(C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001607294051 1072671670 /nfs/dbraw/zinc/67/16/70/1072671670.db2.gz ALDYUVLZKZHDCG-DLBZAZTESA-N 1 2 444.602 0.424 20 0 ICADLO CC(C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001607294051 1072671665 /nfs/dbraw/zinc/67/16/65/1072671665.db2.gz ALDYUVLZKZHDCG-DLBZAZTESA-N 1 2 444.602 0.424 20 0 ICADLO CC(C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001607294054 1072671754 /nfs/dbraw/zinc/67/17/54/1072671754.db2.gz ALDYUVLZKZHDCG-IAGOWNOFSA-N 1 2 444.602 0.424 20 0 ICADLO CC(C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001607294054 1072671746 /nfs/dbraw/zinc/67/17/46/1072671746.db2.gz ALDYUVLZKZHDCG-IAGOWNOFSA-N 1 2 444.602 0.424 20 0 ICADLO CC(C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001607294056 1072671651 /nfs/dbraw/zinc/67/16/51/1072671651.db2.gz ALDYUVLZKZHDCG-IRXDYDNUSA-N 1 2 444.602 0.424 20 0 ICADLO CC(C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001607294056 1072671641 /nfs/dbraw/zinc/67/16/41/1072671641.db2.gz ALDYUVLZKZHDCG-IRXDYDNUSA-N 1 2 444.602 0.424 20 0 ICADLO CC(C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001607294059 1072671713 /nfs/dbraw/zinc/67/17/13/1072671713.db2.gz ALDYUVLZKZHDCG-SJORKVTESA-N 1 2 444.602 0.424 20 0 ICADLO CC(C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001607294059 1072671709 /nfs/dbraw/zinc/67/17/09/1072671709.db2.gz ALDYUVLZKZHDCG-SJORKVTESA-N 1 2 444.602 0.424 20 0 ICADLO CC(C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001607297675 1072671554 /nfs/dbraw/zinc/67/15/54/1072671554.db2.gz XCXNQGKJUNCABC-DLBZAZTESA-N 1 2 444.602 0.424 20 0 ICADLO CC(C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001607297676 1072671626 /nfs/dbraw/zinc/67/16/26/1072671626.db2.gz XCXNQGKJUNCABC-IAGOWNOFSA-N 1 2 444.602 0.424 20 0 ICADLO CC(C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001607297677 1072671775 /nfs/dbraw/zinc/67/17/75/1072671775.db2.gz XCXNQGKJUNCABC-IRXDYDNUSA-N 1 2 444.602 0.424 20 0 ICADLO CC(C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001607297678 1072671584 /nfs/dbraw/zinc/67/15/84/1072671584.db2.gz XCXNQGKJUNCABC-SJORKVTESA-N 1 2 444.602 0.424 20 0 ICADLO CC(C)(C)OC(=O)N1CCC2(CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1 ZINC001607362061 1072672236 /nfs/dbraw/zinc/67/22/36/1072672236.db2.gz XOUMWOIAUCRJBF-KRWDZBQOSA-N 1 2 436.553 0.637 20 0 ICADLO CC(C)(C)OC(=O)N1CCC2(CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1 ZINC001607362062 1072672274 /nfs/dbraw/zinc/67/22/74/1072672274.db2.gz XOUMWOIAUCRJBF-QGZVFWFLSA-N 1 2 436.553 0.637 20 0 ICADLO CC(C)C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCS(C)(=O)=O)CC1 ZINC001607466576 1072676080 /nfs/dbraw/zinc/67/60/80/1072676080.db2.gz WAQCHPUVDCTYIL-UHFFFAOYSA-N 1 2 426.587 0.727 20 0 ICADLO CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001607514718 1072678440 /nfs/dbraw/zinc/67/84/40/1072678440.db2.gz OLYGFSCHRJHJTA-DLBZAZTESA-N 1 2 433.557 0.255 20 0 ICADLO CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001607514722 1072678282 /nfs/dbraw/zinc/67/82/82/1072678282.db2.gz OLYGFSCHRJHJTA-IAGOWNOFSA-N 1 2 433.557 0.255 20 0 ICADLO CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001607514724 1072678354 /nfs/dbraw/zinc/67/83/54/1072678354.db2.gz OLYGFSCHRJHJTA-IRXDYDNUSA-N 1 2 433.557 0.255 20 0 ICADLO CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001607514725 1072678303 /nfs/dbraw/zinc/67/83/03/1072678303.db2.gz OLYGFSCHRJHJTA-SJORKVTESA-N 1 2 433.557 0.255 20 0 ICADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccn(C)n2)CC1 ZINC001607533552 1072678865 /nfs/dbraw/zinc/67/88/65/1072678865.db2.gz VIASEYVMOWNUAZ-KRWDZBQOSA-N 1 2 435.598 0.934 20 0 ICADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccn(C)n2)CC1 ZINC001607533553 1072679000 /nfs/dbraw/zinc/67/90/00/1072679000.db2.gz VIASEYVMOWNUAZ-QGZVFWFLSA-N 1 2 435.598 0.934 20 0 ICADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001607533555 1072678885 /nfs/dbraw/zinc/67/88/85/1072678885.db2.gz VLVNZUOXXBGMGC-DLBZAZTESA-N 1 2 427.571 0.374 20 0 ICADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001607533556 1072678924 /nfs/dbraw/zinc/67/89/24/1072678924.db2.gz VLVNZUOXXBGMGC-IAGOWNOFSA-N 1 2 427.571 0.374 20 0 ICADLO COc1ccc([C@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCO2)cc1OC ZINC001607577291 1072679724 /nfs/dbraw/zinc/67/97/24/1072679724.db2.gz XIQJONVOBIHJPW-GHTZIAJQSA-N 1 2 447.532 0.784 20 0 ICADLO COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCO2)cc1OC ZINC001607577295 1072679738 /nfs/dbraw/zinc/67/97/38/1072679738.db2.gz XIQJONVOBIHJPW-NQIIRXRSSA-N 1 2 447.532 0.784 20 0 ICADLO COc1ccc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCO2)cc1OC ZINC001607577501 1072679620 /nfs/dbraw/zinc/67/96/20/1072679620.db2.gz XIQJONVOBIHJPW-RXVVDRJESA-N 1 2 447.532 0.784 20 0 ICADLO COc1ccc([C@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCO2)cc1OC ZINC001607577502 1072679554 /nfs/dbraw/zinc/67/95/54/1072679554.db2.gz XIQJONVOBIHJPW-WIYYLYMNSA-N 1 2 447.532 0.784 20 0 ICADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccnc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001607581621 1072679715 /nfs/dbraw/zinc/67/97/15/1072679715.db2.gz JVIYEOVEJHOHKN-GOSISDBHSA-N 1 2 434.566 0.932 20 0 ICADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccnc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001607581621 1072679712 /nfs/dbraw/zinc/67/97/12/1072679712.db2.gz JVIYEOVEJHOHKN-GOSISDBHSA-N 1 2 434.566 0.932 20 0 ICADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccnc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001607581627 1072679611 /nfs/dbraw/zinc/67/96/11/1072679611.db2.gz JVIYEOVEJHOHKN-SFHVURJKSA-N 1 2 434.566 0.932 20 0 ICADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccnc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001607581627 1072679606 /nfs/dbraw/zinc/67/96/06/1072679606.db2.gz JVIYEOVEJHOHKN-SFHVURJKSA-N 1 2 434.566 0.932 20 0 ICADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001607582456 1072680276 /nfs/dbraw/zinc/68/02/76/1072680276.db2.gz QELIAUTYDYNVBL-KRWDZBQOSA-N 1 2 439.586 0.516 20 0 ICADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001607582456 1072680269 /nfs/dbraw/zinc/68/02/69/1072680269.db2.gz QELIAUTYDYNVBL-KRWDZBQOSA-N 1 2 439.586 0.516 20 0 ICADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001607582457 1072680089 /nfs/dbraw/zinc/68/00/89/1072680089.db2.gz QELIAUTYDYNVBL-QGZVFWFLSA-N 1 2 439.586 0.516 20 0 ICADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001607582457 1072680085 /nfs/dbraw/zinc/68/00/85/1072680085.db2.gz QELIAUTYDYNVBL-QGZVFWFLSA-N 1 2 439.586 0.516 20 0 ICADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)CCNS(=O)(=O)c2ccccc2F)cc[nH+]1 ZINC001607601219 1072681261 /nfs/dbraw/zinc/68/12/61/1072681261.db2.gz RNKHTDJYMZVOHK-JKSUJKDBSA-N 1 2 437.497 0.978 20 0 ICADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc[nH+]1 ZINC001607601227 1072681330 /nfs/dbraw/zinc/68/13/30/1072681330.db2.gz SGXIUMDCPKTUHW-CGTJXYLNSA-N 1 2 441.467 0.730 20 0 ICADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc[nH+]1 ZINC001607601228 1072681286 /nfs/dbraw/zinc/68/12/86/1072681286.db2.gz SGXIUMDCPKTUHW-JQHSSLGASA-N 1 2 441.467 0.730 20 0 ICADLO Cn1cnc(S(=O)(=O)NCC(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)c1 ZINC001607784237 1072685072 /nfs/dbraw/zinc/68/50/72/1072685072.db2.gz NRFYFTWMXKXCEU-UHFFFAOYSA-N 1 2 436.925 0.956 20 0 ICADLO CS(=O)(=O)N1CCN(CC(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)CC1 ZINC001607784918 1072685155 /nfs/dbraw/zinc/68/51/55/1072685155.db2.gz XRHLKFDAAODPJE-UHFFFAOYSA-N 1 2 439.969 0.821 20 0 ICADLO CC(C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001607943161 1072689218 /nfs/dbraw/zinc/68/92/18/1072689218.db2.gz GBJZXZMJVYFLSU-CABCVRRESA-N 1 2 435.616 0.390 20 0 ICADLO CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001607943161 1072689214 /nfs/dbraw/zinc/68/92/14/1072689214.db2.gz GBJZXZMJVYFLSU-CABCVRRESA-N 1 2 435.616 0.390 20 0 ICADLO CC(C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001607943168 1072689127 /nfs/dbraw/zinc/68/91/27/1072689127.db2.gz GBJZXZMJVYFLSU-GJZGRUSLSA-N 1 2 435.616 0.390 20 0 ICADLO CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001607943168 1072689120 /nfs/dbraw/zinc/68/91/20/1072689120.db2.gz GBJZXZMJVYFLSU-GJZGRUSLSA-N 1 2 435.616 0.390 20 0 ICADLO CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001607943176 1072689045 /nfs/dbraw/zinc/68/90/45/1072689045.db2.gz GBJZXZMJVYFLSU-HUUCEWRRSA-N 1 2 435.616 0.390 20 0 ICADLO CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001607943176 1072689040 /nfs/dbraw/zinc/68/90/40/1072689040.db2.gz GBJZXZMJVYFLSU-HUUCEWRRSA-N 1 2 435.616 0.390 20 0 ICADLO CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001607943183 1072689348 /nfs/dbraw/zinc/68/93/48/1072689348.db2.gz GBJZXZMJVYFLSU-LSDHHAIUSA-N 1 2 435.616 0.390 20 0 ICADLO CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001607943183 1072689343 /nfs/dbraw/zinc/68/93/43/1072689343.db2.gz GBJZXZMJVYFLSU-LSDHHAIUSA-N 1 2 435.616 0.390 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001608119538 1072691950 /nfs/dbraw/zinc/69/19/50/1072691950.db2.gz PEAGGTMLRPFMHR-INIZCTEOSA-N 1 2 447.565 0.891 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001608119539 1072691877 /nfs/dbraw/zinc/69/18/77/1072691877.db2.gz PEAGGTMLRPFMHR-MRXNPFEDSA-N 1 2 447.565 0.891 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCSC2)CC1 ZINC001608145738 1072692328 /nfs/dbraw/zinc/69/23/28/1072692328.db2.gz BTQXKZKAHDYKIX-CRAIPNDOSA-N 1 2 429.612 0.579 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCSC2)CC1 ZINC001608145739 1072692397 /nfs/dbraw/zinc/69/23/97/1072692397.db2.gz BTQXKZKAHDYKIX-MAUKXSAKSA-N 1 2 429.612 0.579 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCSC2)CC1 ZINC001608145740 1072692507 /nfs/dbraw/zinc/69/25/07/1072692507.db2.gz BTQXKZKAHDYKIX-QAPCUYQASA-N 1 2 429.612 0.579 20 0 ICADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCSC2)CC1 ZINC001608145741 1072692353 /nfs/dbraw/zinc/69/23/53/1072692353.db2.gz BTQXKZKAHDYKIX-YJBOKZPZSA-N 1 2 429.612 0.579 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001608154289 1072693043 /nfs/dbraw/zinc/69/30/43/1072693043.db2.gz PGQPEUPZCPQKSS-BHYGNILZSA-N 1 2 437.541 0.827 20 0 ICADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001608154289 1072693036 /nfs/dbraw/zinc/69/30/36/1072693036.db2.gz PGQPEUPZCPQKSS-BHYGNILZSA-N 1 2 437.541 0.827 20 0 ICADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(C4CCC4)n3CC(=O)N(C)C)CC2)C1 ZINC001608158543 1072693011 /nfs/dbraw/zinc/69/30/11/1072693011.db2.gz GPWFBTONCGUBSF-IBGZPJMESA-N 1 2 433.601 0.865 20 0 ICADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(C4CCC4)n3CC(=O)N(C)C)CC2)C1 ZINC001608158544 1072692954 /nfs/dbraw/zinc/69/29/54/1072692954.db2.gz GPWFBTONCGUBSF-LJQANCHMSA-N 1 2 433.601 0.865 20 0 ICADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001608177711 1072694466 /nfs/dbraw/zinc/69/44/66/1072694466.db2.gz RCTZWQGFGAREEP-UHFFFAOYSA-N 1 2 440.552 0.838 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001608211462 1072696479 /nfs/dbraw/zinc/69/64/79/1072696479.db2.gz CZFRMYVQZNAEPP-UHFFFAOYSA-N 1 2 437.589 0.878 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001608211462 1072696476 /nfs/dbraw/zinc/69/64/76/1072696476.db2.gz CZFRMYVQZNAEPP-UHFFFAOYSA-N 1 2 437.589 0.878 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001608211999 1072696492 /nfs/dbraw/zinc/69/64/92/1072696492.db2.gz HVZBTBXUDVCTGI-UHFFFAOYSA-N 1 2 444.540 0.221 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cn2ccsc2n1 ZINC001608289983 1072698082 /nfs/dbraw/zinc/69/80/82/1072698082.db2.gz ARVLDFSPOKJGMY-UHFFFAOYSA-N 1 2 432.554 0.942 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1([S@](C)=O)CC1 ZINC001608291166 1072698800 /nfs/dbraw/zinc/69/88/00/1072698800.db2.gz XJIUWGVIXCQDIA-FUJBLVTHSA-N 1 2 440.614 0.873 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1([S@](C)=O)CC1 ZINC001608291166 1072698790 /nfs/dbraw/zinc/69/87/90/1072698790.db2.gz XJIUWGVIXCQDIA-FUJBLVTHSA-N 1 2 440.614 0.873 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1([S@@](C)=O)CC1 ZINC001608291167 1072698657 /nfs/dbraw/zinc/69/86/57/1072698657.db2.gz XJIUWGVIXCQDIA-OXVFITQMSA-N 1 2 440.614 0.873 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1([S@@](C)=O)CC1 ZINC001608291167 1072698654 /nfs/dbraw/zinc/69/86/54/1072698654.db2.gz XJIUWGVIXCQDIA-OXVFITQMSA-N 1 2 440.614 0.873 20 0 ICADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cccc(C(N)=O)c1 ZINC001608291185 1072698732 /nfs/dbraw/zinc/69/87/32/1072698732.db2.gz YCKHRUUGKDOJIM-UHFFFAOYSA-N 1 2 429.525 0.332 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001608358796 1072701867 /nfs/dbraw/zinc/70/18/67/1072701867.db2.gz LZQFJCCXBPHWBU-KRWDZBQOSA-N 1 2 435.573 0.475 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001608358797 1072701803 /nfs/dbraw/zinc/70/18/03/1072701803.db2.gz LZQFJCCXBPHWBU-QGZVFWFLSA-N 1 2 435.573 0.475 20 0 ICADLO C[N@H+]1CCc2nc(NC(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)sc2C1 ZINC001608411343 1072705274 /nfs/dbraw/zinc/70/52/74/1072705274.db2.gz SGFSKBVSSCJUIY-UHFFFAOYSA-N 1 2 443.938 0.800 20 0 ICADLO C[N@@H+]1CCc2nc(NC(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)sc2C1 ZINC001608411343 1072705268 /nfs/dbraw/zinc/70/52/68/1072705268.db2.gz SGFSKBVSSCJUIY-UHFFFAOYSA-N 1 2 443.938 0.800 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001608437192 1072706584 /nfs/dbraw/zinc/70/65/84/1072706584.db2.gz FJFNOWHZUSSXLH-HNNXBMFYSA-N 1 2 435.554 0.937 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001608437193 1072706657 /nfs/dbraw/zinc/70/66/57/1072706657.db2.gz FJFNOWHZUSSXLH-OAHLLOKOSA-N 1 2 435.554 0.937 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCC3(COC(=O)N3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001608447303 1072707504 /nfs/dbraw/zinc/70/75/04/1072707504.db2.gz WOMQIQRDJNMKIW-UHFFFAOYSA-N 1 2 449.556 0.606 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCC3(COC(=O)N3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001608447303 1072707492 /nfs/dbraw/zinc/70/74/92/1072707492.db2.gz WOMQIQRDJNMKIW-UHFFFAOYSA-N 1 2 449.556 0.606 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@H]1CCC(=O)N1 ZINC001608453525 1072708060 /nfs/dbraw/zinc/70/80/60/1072708060.db2.gz IEDGTNBDKLJTSK-OAHLLOKOSA-N 1 2 426.525 0.719 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCC(=O)N(C)C ZINC001608453950 1072708584 /nfs/dbraw/zinc/70/85/84/1072708584.db2.gz PCDGAGHIIRGPQH-UHFFFAOYSA-N 1 2 428.541 0.918 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001608469678 1072709663 /nfs/dbraw/zinc/70/96/63/1072709663.db2.gz PBLSIBSENWIYIA-CABCVRRESA-N 1 2 436.513 0.641 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001608469678 1072709660 /nfs/dbraw/zinc/70/96/60/1072709660.db2.gz PBLSIBSENWIYIA-CABCVRRESA-N 1 2 436.513 0.641 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001608469680 1072709629 /nfs/dbraw/zinc/70/96/29/1072709629.db2.gz PBLSIBSENWIYIA-GJZGRUSLSA-N 1 2 436.513 0.641 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001608469680 1072709627 /nfs/dbraw/zinc/70/96/27/1072709627.db2.gz PBLSIBSENWIYIA-GJZGRUSLSA-N 1 2 436.513 0.641 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001608469681 1072709717 /nfs/dbraw/zinc/70/97/17/1072709717.db2.gz PBLSIBSENWIYIA-HUUCEWRRSA-N 1 2 436.513 0.641 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001608469681 1072709714 /nfs/dbraw/zinc/70/97/14/1072709714.db2.gz PBLSIBSENWIYIA-HUUCEWRRSA-N 1 2 436.513 0.641 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001608469682 1072709642 /nfs/dbraw/zinc/70/96/42/1072709642.db2.gz PBLSIBSENWIYIA-LSDHHAIUSA-N 1 2 436.513 0.641 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001608469682 1072709638 /nfs/dbraw/zinc/70/96/38/1072709638.db2.gz PBLSIBSENWIYIA-LSDHHAIUSA-N 1 2 436.513 0.641 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001608530684 1072713279 /nfs/dbraw/zinc/71/32/79/1072713279.db2.gz ZMCNGQHENKOVQM-UHFFFAOYSA-N 1 2 449.600 0.832 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCC(C)(C)O ZINC001608551954 1072714973 /nfs/dbraw/zinc/71/49/73/1072714973.db2.gz NXPZIQXPXHWLMB-KRWDZBQOSA-N 1 2 449.600 0.710 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCC(C)(C)O ZINC001608551955 1072714881 /nfs/dbraw/zinc/71/48/81/1072714881.db2.gz NXPZIQXPXHWLMB-QGZVFWFLSA-N 1 2 449.600 0.710 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(C)(C)O ZINC001608552258 1072714904 /nfs/dbraw/zinc/71/49/04/1072714904.db2.gz RYAXAWSZCJWVTH-INIZCTEOSA-N 1 2 435.573 0.320 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC(C)(C)O ZINC001608552260 1072714888 /nfs/dbraw/zinc/71/48/88/1072714888.db2.gz RYAXAWSZCJWVTH-MRXNPFEDSA-N 1 2 435.573 0.320 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC(=O)NCC1CC1 ZINC001608571876 1072715692 /nfs/dbraw/zinc/71/56/92/1072715692.db2.gz MQXASRJRAOWCJO-UHFFFAOYSA-N 1 2 426.525 0.664 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1(C)COCCO1 ZINC001608572013 1072716225 /nfs/dbraw/zinc/71/62/25/1072716225.db2.gz RQALWAQLHSNZHL-NRFANRHFSA-N 1 2 429.525 0.943 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1(C)COCCO1 ZINC001608572014 1072716156 /nfs/dbraw/zinc/71/61/56/1072716156.db2.gz RQALWAQLHSNZHL-OAQYLSRUSA-N 1 2 429.525 0.943 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001608579114 1072716527 /nfs/dbraw/zinc/71/65/27/1072716527.db2.gz KECGXNFLBSCZCU-INIZCTEOSA-N 1 2 438.598 0.916 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001608579116 1072716737 /nfs/dbraw/zinc/71/67/37/1072716737.db2.gz KECGXNFLBSCZCU-MRXNPFEDSA-N 1 2 438.598 0.916 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001608591998 1072717726 /nfs/dbraw/zinc/71/77/26/1072717726.db2.gz BULHFWIUCXVQQY-UHFFFAOYSA-N 1 2 438.598 0.773 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001608593072 1072717710 /nfs/dbraw/zinc/71/77/10/1072717710.db2.gz UEMUIDFEJXCKDN-UHFFFAOYSA-N 1 2 438.598 0.773 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001608593205 1072718309 /nfs/dbraw/zinc/71/83/09/1072718309.db2.gz VCKKOMNZQBPEOD-KRWDZBQOSA-N 1 2 438.598 0.773 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001608593206 1072718375 /nfs/dbraw/zinc/71/83/75/1072718375.db2.gz VCKKOMNZQBPEOD-QGZVFWFLSA-N 1 2 438.598 0.773 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001608606256 1072719445 /nfs/dbraw/zinc/71/94/45/1072719445.db2.gz NBJSEOMBSLZCHH-MSOLQXFVSA-N 1 2 447.584 0.584 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001608606259 1072719203 /nfs/dbraw/zinc/71/92/03/1072719203.db2.gz NBJSEOMBSLZCHH-QZTJIDSGSA-N 1 2 447.584 0.584 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001608606264 1072719433 /nfs/dbraw/zinc/71/94/33/1072719433.db2.gz NBJSEOMBSLZCHH-ROUUACIJSA-N 1 2 447.584 0.584 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001608606267 1072719725 /nfs/dbraw/zinc/71/97/25/1072719725.db2.gz NBJSEOMBSLZCHH-ZWKOTPCHSA-N 1 2 447.584 0.584 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001608607698 1072720392 /nfs/dbraw/zinc/72/03/92/1072720392.db2.gz WCQSYDONNFTAGR-INIZCTEOSA-N 1 2 433.557 0.338 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001608607700 1072720310 /nfs/dbraw/zinc/72/03/10/1072720310.db2.gz WCQSYDONNFTAGR-MRXNPFEDSA-N 1 2 433.557 0.338 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001608607920 1072720353 /nfs/dbraw/zinc/72/03/53/1072720353.db2.gz XKBWZIJHPJZRQO-DLBZAZTESA-N 1 2 449.556 0.414 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001608607922 1072720412 /nfs/dbraw/zinc/72/04/12/1072720412.db2.gz XKBWZIJHPJZRQO-IAGOWNOFSA-N 1 2 449.556 0.414 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001608607925 1072720399 /nfs/dbraw/zinc/72/03/99/1072720399.db2.gz XKBWZIJHPJZRQO-IRXDYDNUSA-N 1 2 449.556 0.414 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001608607926 1072720440 /nfs/dbraw/zinc/72/04/40/1072720440.db2.gz XKBWZIJHPJZRQO-SJORKVTESA-N 1 2 449.556 0.414 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001608607959 1072720333 /nfs/dbraw/zinc/72/03/33/1072720333.db2.gz YBUDOBXAOVKYFA-HNNXBMFYSA-N 1 2 435.529 0.168 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001608607960 1072720970 /nfs/dbraw/zinc/72/09/70/1072720970.db2.gz YBUDOBXAOVKYFA-OAHLLOKOSA-N 1 2 435.529 0.168 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001609506601 1072721232 /nfs/dbraw/zinc/72/12/32/1072721232.db2.gz DEYSLLYRSFQERS-UHFFFAOYSA-N 1 2 442.524 0.023 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001609513454 1072722660 /nfs/dbraw/zinc/72/26/60/1072722660.db2.gz DPLBYVLAEFBZEF-KRWDZBQOSA-N 1 2 434.566 0.954 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001609513455 1072722604 /nfs/dbraw/zinc/72/26/04/1072722604.db2.gz DPLBYVLAEFBZEF-QGZVFWFLSA-N 1 2 434.566 0.954 20 0 ICADLO CC(C)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001609519463 1072724414 /nfs/dbraw/zinc/72/44/14/1072724414.db2.gz XGGIFPPRXJHSAY-SJORKVTESA-N 1 2 440.552 0.888 20 0 ICADLO CC(C)NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001609915816 1072727273 /nfs/dbraw/zinc/72/72/73/1072727273.db2.gz UDDBMMRZKGUOJP-UHFFFAOYSA-N 1 2 435.573 0.586 20 0 ICADLO CC(C)NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001609915816 1072727268 /nfs/dbraw/zinc/72/72/68/1072727268.db2.gz UDDBMMRZKGUOJP-UHFFFAOYSA-N 1 2 435.573 0.586 20 0 ICADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 ZINC001609983652 1072728095 /nfs/dbraw/zinc/72/80/95/1072728095.db2.gz CLPVDUFWUPKXPT-UHFFFAOYSA-N 1 2 444.580 0.595 20 0 ICADLO CC(C)NC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC[NH+]1CCOCC1 ZINC001610080352 1072731467 /nfs/dbraw/zinc/73/14/67/1072731467.db2.gz RPHQKKGCHFMGCF-UHFFFAOYSA-N 1 2 433.513 0.299 20 0 ICADLO CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001610100597 1072732737 /nfs/dbraw/zinc/73/27/37/1072732737.db2.gz AGTMEMNSHQBCGN-FQEVSTJZSA-N 1 2 447.628 0.986 20 0 ICADLO CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001610100598 1072732673 /nfs/dbraw/zinc/73/26/73/1072732673.db2.gz AGTMEMNSHQBCGN-HXUWFJFHSA-N 1 2 447.628 0.986 20 0 ICADLO CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001610100602 1072732640 /nfs/dbraw/zinc/73/26/40/1072732640.db2.gz AIWLBAYMVHQOAD-KRWDZBQOSA-N 1 2 431.585 0.888 20 0 ICADLO CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001610100603 1072732776 /nfs/dbraw/zinc/73/27/76/1072732776.db2.gz AIWLBAYMVHQOAD-QGZVFWFLSA-N 1 2 431.585 0.888 20 0 ICADLO CC(C)NC(=O)CN1CCN(c2nnc(CC3CC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001610147346 1072735303 /nfs/dbraw/zinc/73/53/03/1072735303.db2.gz ZEZGSPRTIUUOFF-GOSISDBHSA-N 1 2 433.601 0.598 20 0 ICADLO CC(C)NC(=O)CN1CCN(c2nnc(CC3CC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001610147348 1072735247 /nfs/dbraw/zinc/73/52/47/1072735247.db2.gz ZEZGSPRTIUUOFF-SFHVURJKSA-N 1 2 433.601 0.598 20 0 ICADLO CC(C)OCCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001611086242 1072756683 /nfs/dbraw/zinc/75/66/83/1072756683.db2.gz WJUHSQVMTJYVJM-UHFFFAOYSA-N 1 2 428.541 0.905 20 0 ICADLO C[C@]1(c2ccc(CNC(=O)c3cccn3CC[NH+]3CCOCC3)cc2)NC(=O)NC1=O ZINC001611087878 1072756723 /nfs/dbraw/zinc/75/67/23/1072756723.db2.gz BKBZBZJTRAIJAD-JOCHJYFZSA-N 1 2 425.489 0.805 20 0 ICADLO C[C@@]1(c2ccc(CNC(=O)c3cccn3CC[NH+]3CCOCC3)cc2)NC(=O)NC1=O ZINC001611087879 1072756643 /nfs/dbraw/zinc/75/66/43/1072756643.db2.gz BKBZBZJTRAIJAD-QFIPXVFZSA-N 1 2 425.489 0.805 20 0 ICADLO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001611114242 1072758946 /nfs/dbraw/zinc/75/89/46/1072758946.db2.gz CEXRTGHZUYOFTE-BEIWTESXSA-N 1 2 438.598 0.687 20 0 ICADLO CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)CC1 ZINC001611114243 1072759275 /nfs/dbraw/zinc/75/92/75/1072759275.db2.gz CEXRTGHZUYOFTE-DFYVNMARSA-N 1 2 438.598 0.687 20 0 ICADLO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)CC1 ZINC001611114244 1072759397 /nfs/dbraw/zinc/75/93/97/1072759397.db2.gz CEXRTGHZUYOFTE-JTBPQFFMSA-N 1 2 438.598 0.687 20 0 ICADLO CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001611114245 1072759553 /nfs/dbraw/zinc/75/95/53/1072759553.db2.gz CEXRTGHZUYOFTE-XHDOVSQSSA-N 1 2 438.598 0.687 20 0 ICADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001611192898 1072764035 /nfs/dbraw/zinc/76/40/35/1072764035.db2.gz NKNTVQDZFNNXKD-CABCVRRESA-N 1 2 437.497 0.304 20 0 ICADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001611192899 1072764116 /nfs/dbraw/zinc/76/41/16/1072764116.db2.gz NKNTVQDZFNNXKD-GJZGRUSLSA-N 1 2 437.497 0.304 20 0 ICADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001611192900 1072764597 /nfs/dbraw/zinc/76/45/97/1072764597.db2.gz NKNTVQDZFNNXKD-HUUCEWRRSA-N 1 2 437.497 0.304 20 0 ICADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O ZINC001611192901 1072764491 /nfs/dbraw/zinc/76/44/91/1072764491.db2.gz NKNTVQDZFNNXKD-LSDHHAIUSA-N 1 2 437.497 0.304 20 0 ICADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC001611192965 1072764454 /nfs/dbraw/zinc/76/44/54/1072764454.db2.gz PRXLPZNZXJPXLB-AWEZNQCLSA-N 1 2 428.492 0.271 20 0 ICADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC001611192966 1072764396 /nfs/dbraw/zinc/76/43/96/1072764396.db2.gz PRXLPZNZXJPXLB-CQSZACIVSA-N 1 2 428.492 0.271 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C3(CO)CCOCC3)cc2)CC1 ZINC001611255919 1072766788 /nfs/dbraw/zinc/76/67/88/1072766788.db2.gz CTFROWYRSNMEMS-UHFFFAOYSA-N 1 2 433.549 0.677 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H](NC(N)=O)C(C)(C)C)cc2)CC1 ZINC001611257271 1072766642 /nfs/dbraw/zinc/76/66/42/1072766642.db2.gz OPOIUNICXRMIIB-FQEVSTJZSA-N 1 2 447.580 0.971 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C)cc2)CC1 ZINC001611257272 1072766697 /nfs/dbraw/zinc/76/66/97/1072766697.db2.gz OPOIUNICXRMIIB-HXUWFJFHSA-N 1 2 447.580 0.971 20 0 ICADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H]3CSCC(=O)N3)cc2)CC1 ZINC001611258853 1072766930 /nfs/dbraw/zinc/76/69/30/1072766930.db2.gz ZXTSVCHCGIJXPT-IBGZPJMESA-N 1 2 434.562 0.120 20 0 ICADLO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC001611292401 1072767311 /nfs/dbraw/zinc/76/73/11/1072767311.db2.gz CWANYVRPADTTCZ-LLVKDONJSA-N 1 2 425.898 0.847 20 0 ICADLO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC001611292402 1072767216 /nfs/dbraw/zinc/76/72/16/1072767216.db2.gz CWANYVRPADTTCZ-NSHDSACASA-N 1 2 425.898 0.847 20 0 ICADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](C)NC(=O)Cn3cnnn3)[nH+]c12 ZINC001611320021 1072768713 /nfs/dbraw/zinc/76/87/13/1072768713.db2.gz CHJALHLQWSEHHL-LLVKDONJSA-N 1 2 435.286 0.255 20 0 ICADLO Cc1nc(N2CCN(C(=O)[C@H](C)N3CCN(C(=O)OC(C)(C)C)CC3=O)CC2)cc[nH+]1 ZINC001611324671 1072769087 /nfs/dbraw/zinc/76/90/87/1072769087.db2.gz GKSFAVGOIIQZLS-HNNXBMFYSA-N 1 2 432.525 0.901 20 0 ICADLO Cc1nc(N2CCN(C(=O)[C@@H](C)N3CCN(C(=O)OC(C)(C)C)CC3=O)CC2)cc[nH+]1 ZINC001611324674 1072769143 /nfs/dbraw/zinc/76/91/43/1072769143.db2.gz GKSFAVGOIIQZLS-OAHLLOKOSA-N 1 2 432.525 0.901 20 0 ICADLO Cc1nc(N2CCN(C(=O)C3(C(=O)OC(C)(C)C)CCS(=O)(=O)CC3)CC2)cc[nH+]1 ZINC001611325018 1072769742 /nfs/dbraw/zinc/76/97/42/1072769742.db2.gz NQLJYKWOWZAGTK-UHFFFAOYSA-N 1 2 438.550 0.970 20 0 ICADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001611325876 1072769673 /nfs/dbraw/zinc/76/96/73/1072769673.db2.gz AKFQEXBWOFHBFS-YESZJQIVSA-N 1 2 425.555 0.407 20 0 ICADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001611325876 1072769667 /nfs/dbraw/zinc/76/96/67/1072769667.db2.gz AKFQEXBWOFHBFS-YESZJQIVSA-N 1 2 425.555 0.407 20 0 ICADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001611325881 1072769647 /nfs/dbraw/zinc/76/96/47/1072769647.db2.gz AKFQEXBWOFHBFS-ZACQAIPSSA-N 1 2 425.555 0.407 20 0 ICADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001611325881 1072769635 /nfs/dbraw/zinc/76/96/35/1072769635.db2.gz AKFQEXBWOFHBFS-ZACQAIPSSA-N 1 2 425.555 0.407 20 0 ICADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001611345067 1072771653 /nfs/dbraw/zinc/77/16/53/1072771653.db2.gz RFNDPVWHOCIGAO-GDBMZVCRSA-N 1 2 442.524 0.209 20 0 ICADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001611345068 1072771698 /nfs/dbraw/zinc/77/16/98/1072771698.db2.gz RFNDPVWHOCIGAO-GOEBONIOSA-N 1 2 442.524 0.209 20 0 ICADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001611345069 1072771598 /nfs/dbraw/zinc/77/15/98/1072771598.db2.gz RFNDPVWHOCIGAO-HOCLYGCPSA-N 1 2 442.524 0.209 20 0 ICADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001611345070 1072771616 /nfs/dbraw/zinc/77/16/16/1072771616.db2.gz RFNDPVWHOCIGAO-ZBFHGGJFSA-N 1 2 442.524 0.209 20 0 ICADLO C[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001611543093 1072783359 /nfs/dbraw/zinc/78/33/59/1072783359.db2.gz OHVVPXVMSJYQMB-DLBZAZTESA-N 1 2 440.614 0.984 20 0 ICADLO C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001611543094 1072783286 /nfs/dbraw/zinc/78/32/86/1072783286.db2.gz OHVVPXVMSJYQMB-IAGOWNOFSA-N 1 2 440.614 0.984 20 0 ICADLO C[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001611543095 1072783189 /nfs/dbraw/zinc/78/31/89/1072783189.db2.gz OHVVPXVMSJYQMB-IRXDYDNUSA-N 1 2 440.614 0.984 20 0 ICADLO C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001611543096 1072783259 /nfs/dbraw/zinc/78/32/59/1072783259.db2.gz OHVVPXVMSJYQMB-SJORKVTESA-N 1 2 440.614 0.984 20 0 ICADLO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)[NH+]1CCOCC1 ZINC001611583467 1072787763 /nfs/dbraw/zinc/78/77/63/1072787763.db2.gz GQDLMUIBZMFUDX-DOTOQJQBSA-N 1 2 442.586 0.178 20 0 ICADLO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)[NH+]1CCOCC1 ZINC001611583469 1072787864 /nfs/dbraw/zinc/78/78/64/1072787864.db2.gz GQDLMUIBZMFUDX-NVXWUHKLSA-N 1 2 442.586 0.178 20 0 ICADLO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)[NH+]1CCOCC1 ZINC001611583472 1072787565 /nfs/dbraw/zinc/78/75/65/1072787565.db2.gz GQDLMUIBZMFUDX-RDJZCZTQSA-N 1 2 442.586 0.178 20 0 ICADLO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1)[NH+]1CCOCC1 ZINC001611583474 1072787816 /nfs/dbraw/zinc/78/78/16/1072787816.db2.gz GQDLMUIBZMFUDX-WBVHZDCISA-N 1 2 442.586 0.178 20 0 ICADLO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001611591213 1072789375 /nfs/dbraw/zinc/78/93/75/1072789375.db2.gz JWNNBXKRHVRVNW-KRWDZBQOSA-N 1 2 443.552 0.455 20 0 ICADLO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001611591214 1072789287 /nfs/dbraw/zinc/78/92/87/1072789287.db2.gz JWNNBXKRHVRVNW-QGZVFWFLSA-N 1 2 443.552 0.455 20 0 ICADLO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1 ZINC001611592836 1072789478 /nfs/dbraw/zinc/78/94/78/1072789478.db2.gz YCYVCALHQWQNFQ-INIZCTEOSA-N 1 2 437.522 0.030 20 0 ICADLO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H](CO)c2c[nH+]cn2C)cc1 ZINC001611592837 1072789612 /nfs/dbraw/zinc/78/96/12/1072789612.db2.gz YCYVCALHQWQNFQ-MRXNPFEDSA-N 1 2 437.522 0.030 20 0 ICADLO C[C@@H](Cn1c(CC2CCCC2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC001611597233 1072790145 /nfs/dbraw/zinc/79/01/45/1072790145.db2.gz KDQSKCIJHXSHDU-INIZCTEOSA-N 1 2 428.603 0.717 20 0 ICADLO C[C@H](Cn1c(CC2CCCC2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC001611597234 1072790237 /nfs/dbraw/zinc/79/02/37/1072790237.db2.gz KDQSKCIJHXSHDU-MRXNPFEDSA-N 1 2 428.603 0.717 20 0 ICADLO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC001611599685 1072790731 /nfs/dbraw/zinc/79/07/31/1072790731.db2.gz VPXSIBGFUZABMZ-INIZCTEOSA-N 1 2 441.527 0.508 20 0 ICADLO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC001611599686 1072790771 /nfs/dbraw/zinc/79/07/71/1072790771.db2.gz VPXSIBGFUZABMZ-MRXNPFEDSA-N 1 2 441.527 0.508 20 0 ICADLO COCCOCC[NH+]1CCN(C(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)CC1 ZINC001611600056 1072790745 /nfs/dbraw/zinc/79/07/45/1072790745.db2.gz FAOSUNVGCSETEB-UHFFFAOYSA-N 1 2 432.525 0.185 20 0 ICADLO C[C@@H](Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001611603067 1072790837 /nfs/dbraw/zinc/79/08/37/1072790837.db2.gz KYKBYKJMJNEBRH-INIZCTEOSA-N 1 2 447.584 0.224 20 0 ICADLO C[C@H](Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001611603068 1072790687 /nfs/dbraw/zinc/79/06/87/1072790687.db2.gz KYKBYKJMJNEBRH-MRXNPFEDSA-N 1 2 447.584 0.224 20 0 ICADLO C[C@H](Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001611604848 1072790759 /nfs/dbraw/zinc/79/07/59/1072790759.db2.gz HEAOUXIHGLUERT-CVEARBPZSA-N 1 2 428.603 0.766 20 0 ICADLO C[C@@H](Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001611604849 1072791423 /nfs/dbraw/zinc/79/14/23/1072791423.db2.gz HEAOUXIHGLUERT-HOTGVXAUSA-N 1 2 428.603 0.766 20 0 ICADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCCC1 ZINC001611632223 1072795590 /nfs/dbraw/zinc/79/55/90/1072795590.db2.gz VDDVLLLLVJGQPU-HNNXBMFYSA-N 1 2 435.554 0.891 20 0 ICADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCCC1 ZINC001611632224 1072796190 /nfs/dbraw/zinc/79/61/90/1072796190.db2.gz VDDVLLLLVJGQPU-OAHLLOKOSA-N 1 2 435.554 0.891 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCSC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611662970 1072802060 /nfs/dbraw/zinc/80/20/60/1072802060.db2.gz BGASIZAKWILFLZ-CABCVRRESA-N 1 2 444.627 0.695 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCSC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611662971 1072802781 /nfs/dbraw/zinc/80/27/81/1072802781.db2.gz BGASIZAKWILFLZ-GJZGRUSLSA-N 1 2 444.627 0.695 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCSC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611662972 1072802652 /nfs/dbraw/zinc/80/26/52/1072802652.db2.gz BGASIZAKWILFLZ-HUUCEWRRSA-N 1 2 444.627 0.695 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCSC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611662973 1072802420 /nfs/dbraw/zinc/80/24/20/1072802420.db2.gz BGASIZAKWILFLZ-LSDHHAIUSA-N 1 2 444.627 0.695 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nccs1)[NH+]1CCOCC1 ZINC001611665784 1072804431 /nfs/dbraw/zinc/80/44/31/1072804431.db2.gz GHAIITJFTWWCEI-KBPBESRZSA-N 1 2 443.599 0.702 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nccs1)[NH+]1CCOCC1 ZINC001611665785 1072804582 /nfs/dbraw/zinc/80/45/82/1072804582.db2.gz GHAIITJFTWWCEI-KGLIPLIRSA-N 1 2 443.599 0.702 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2nccs2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001611665786 1072804649 /nfs/dbraw/zinc/80/46/49/1072804649.db2.gz GHAIITJFTWWCEI-UONOGXRCSA-N 1 2 443.599 0.702 20 0 ICADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nccs1)[NH+]1CCOCC1 ZINC001611665787 1072804530 /nfs/dbraw/zinc/80/45/30/1072804530.db2.gz GHAIITJFTWWCEI-ZIAGYGMSSA-N 1 2 443.599 0.702 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1)[NH+]1CCOCC1 ZINC001611666234 1072805089 /nfs/dbraw/zinc/80/50/89/1072805089.db2.gz PBMWGLKDVWPUAD-CABCVRRESA-N 1 2 426.543 0.838 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1)[NH+]1CCOCC1 ZINC001611666235 1072804958 /nfs/dbraw/zinc/80/49/58/1072804958.db2.gz PBMWGLKDVWPUAD-GJZGRUSLSA-N 1 2 426.543 0.838 20 0 ICADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1)[NH+]1CCOCC1 ZINC001611666236 1072805034 /nfs/dbraw/zinc/80/50/34/1072805034.db2.gz PBMWGLKDVWPUAD-HUUCEWRRSA-N 1 2 426.543 0.838 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccoc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001611666237 1072805220 /nfs/dbraw/zinc/80/52/20/1072805220.db2.gz PBMWGLKDVWPUAD-LSDHHAIUSA-N 1 2 426.543 0.838 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611667683 1072805816 /nfs/dbraw/zinc/80/58/16/1072805816.db2.gz GVCCHJMGLPTQGW-KBPBESRZSA-N 1 2 427.531 0.233 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611667683 1072805802 /nfs/dbraw/zinc/80/58/02/1072805802.db2.gz GVCCHJMGLPTQGW-KBPBESRZSA-N 1 2 427.531 0.233 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611667684 1072805867 /nfs/dbraw/zinc/80/58/67/1072805867.db2.gz GVCCHJMGLPTQGW-KGLIPLIRSA-N 1 2 427.531 0.233 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611667684 1072805857 /nfs/dbraw/zinc/80/58/57/1072805857.db2.gz GVCCHJMGLPTQGW-KGLIPLIRSA-N 1 2 427.531 0.233 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611667685 1072805658 /nfs/dbraw/zinc/80/56/58/1072805658.db2.gz GVCCHJMGLPTQGW-UONOGXRCSA-N 1 2 427.531 0.233 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611667685 1072805651 /nfs/dbraw/zinc/80/56/51/1072805651.db2.gz GVCCHJMGLPTQGW-UONOGXRCSA-N 1 2 427.531 0.233 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611667686 1072805601 /nfs/dbraw/zinc/80/56/01/1072805601.db2.gz GVCCHJMGLPTQGW-ZIAGYGMSSA-N 1 2 427.531 0.233 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccon2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611667686 1072805594 /nfs/dbraw/zinc/80/55/94/1072805594.db2.gz GVCCHJMGLPTQGW-ZIAGYGMSSA-N 1 2 427.531 0.233 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611668513 1072806758 /nfs/dbraw/zinc/80/67/58/1072806758.db2.gz UVCFLUHFNPSVRO-FXQLRMTLSA-N 1 2 432.566 0.793 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611668513 1072806745 /nfs/dbraw/zinc/80/67/45/1072806745.db2.gz UVCFLUHFNPSVRO-FXQLRMTLSA-N 1 2 432.566 0.793 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611668514 1072806655 /nfs/dbraw/zinc/80/66/55/1072806655.db2.gz UVCFLUHFNPSVRO-QRNKSROTSA-N 1 2 432.566 0.793 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611668514 1072806646 /nfs/dbraw/zinc/80/66/46/1072806646.db2.gz UVCFLUHFNPSVRO-QRNKSROTSA-N 1 2 432.566 0.793 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611668515 1072807050 /nfs/dbraw/zinc/80/70/50/1072807050.db2.gz UVCFLUHFNPSVRO-QVOMUQBLSA-N 1 2 432.566 0.793 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611668515 1072807033 /nfs/dbraw/zinc/80/70/33/1072807033.db2.gz UVCFLUHFNPSVRO-QVOMUQBLSA-N 1 2 432.566 0.793 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611668516 1072806900 /nfs/dbraw/zinc/80/69/00/1072806900.db2.gz UVCFLUHFNPSVRO-WXLSXGNJSA-N 1 2 432.566 0.793 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611668516 1072806889 /nfs/dbraw/zinc/80/68/89/1072806889.db2.gz UVCFLUHFNPSVRO-WXLSXGNJSA-N 1 2 432.566 0.793 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCOC1)[NH+]1CCOCC1 ZINC001611670442 1072808039 /nfs/dbraw/zinc/80/80/39/1072808039.db2.gz RJPJMEXYTNYSHN-HRCADAONSA-N 1 2 430.575 0.082 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC001611670443 1072807930 /nfs/dbraw/zinc/80/79/30/1072807930.db2.gz RJPJMEXYTNYSHN-JYJNAYRXSA-N 1 2 430.575 0.082 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCOC1)[NH+]1CCOCC1 ZINC001611670444 1072807865 /nfs/dbraw/zinc/80/78/65/1072807865.db2.gz RJPJMEXYTNYSHN-OWCLPIDISA-N 1 2 430.575 0.082 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC001611670445 1072808073 /nfs/dbraw/zinc/80/80/73/1072808073.db2.gz RJPJMEXYTNYSHN-PMPSAXMXSA-N 1 2 430.575 0.082 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC[C@H]1CCCCO1 ZINC001611671728 1072808633 /nfs/dbraw/zinc/80/86/33/1072808633.db2.gz DTDUHQDJUAAGDA-DLBZAZTESA-N 1 2 444.602 0.616 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC[C@H]1CCCCO1 ZINC001611671729 1072808509 /nfs/dbraw/zinc/80/85/09/1072808509.db2.gz DTDUHQDJUAAGDA-IAGOWNOFSA-N 1 2 444.602 0.616 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC[C@@H]1CCCCO1 ZINC001611671730 1072808472 /nfs/dbraw/zinc/80/84/72/1072808472.db2.gz DTDUHQDJUAAGDA-IRXDYDNUSA-N 1 2 444.602 0.616 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC[C@@H]1CCCCO1 ZINC001611671731 1072808664 /nfs/dbraw/zinc/80/86/64/1072808664.db2.gz DTDUHQDJUAAGDA-SJORKVTESA-N 1 2 444.602 0.616 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCOC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001611671862 1072809241 /nfs/dbraw/zinc/80/92/41/1072809241.db2.gz GPIPYLMIFAWIQY-CVEARBPZSA-N 1 2 446.618 0.860 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCOC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611671862 1072809230 /nfs/dbraw/zinc/80/92/30/1072809230.db2.gz GPIPYLMIFAWIQY-CVEARBPZSA-N 1 2 446.618 0.860 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCOC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611671863 1072808989 /nfs/dbraw/zinc/80/89/89/1072808989.db2.gz GPIPYLMIFAWIQY-HOTGVXAUSA-N 1 2 446.618 0.860 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCOC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611671863 1072808978 /nfs/dbraw/zinc/80/89/78/1072808978.db2.gz GPIPYLMIFAWIQY-HOTGVXAUSA-N 1 2 446.618 0.860 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCOC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001611671864 1072809076 /nfs/dbraw/zinc/80/90/76/1072809076.db2.gz GPIPYLMIFAWIQY-HZPDHXFCSA-N 1 2 446.618 0.860 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCOC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611671864 1072809066 /nfs/dbraw/zinc/80/90/66/1072809066.db2.gz GPIPYLMIFAWIQY-HZPDHXFCSA-N 1 2 446.618 0.860 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCOC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611671865 1072809126 /nfs/dbraw/zinc/80/91/26/1072809126.db2.gz GPIPYLMIFAWIQY-JKSUJKDBSA-N 1 2 446.618 0.860 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCOC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611671865 1072809117 /nfs/dbraw/zinc/80/91/17/1072809117.db2.gz GPIPYLMIFAWIQY-JKSUJKDBSA-N 1 2 446.618 0.860 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1(O)CCCCC1 ZINC001611671906 1072809150 /nfs/dbraw/zinc/80/91/50/1072809150.db2.gz HNXRFDBDMGSBON-INIZCTEOSA-N 1 2 444.602 0.352 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1(O)CCCCC1 ZINC001611671907 1072809051 /nfs/dbraw/zinc/80/90/51/1072809051.db2.gz HNXRFDBDMGSBON-MRXNPFEDSA-N 1 2 444.602 0.352 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCc1ccsc1 ZINC001611672136 1072809789 /nfs/dbraw/zinc/80/97/89/1072809789.db2.gz LQVSOXQDANMEEM-HNNXBMFYSA-N 1 2 442.611 0.961 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCc1ccsc1 ZINC001611672137 1072809683 /nfs/dbraw/zinc/80/96/83/1072809683.db2.gz LQVSOXQDANMEEM-OAHLLOKOSA-N 1 2 442.611 0.961 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1=CCCOC1 ZINC001611672248 1072809763 /nfs/dbraw/zinc/80/97/63/1072809763.db2.gz NVCZZFGARJDURU-HNNXBMFYSA-N 1 2 428.559 0.003 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1=CCCOC1 ZINC001611672249 1072809668 /nfs/dbraw/zinc/80/96/68/1072809668.db2.gz NVCZZFGARJDURU-OAHLLOKOSA-N 1 2 428.559 0.003 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001611672536 1072809532 /nfs/dbraw/zinc/80/95/32/1072809532.db2.gz TVSMNXIEKOGCNR-ARFHVFGLSA-N 1 2 432.566 0.795 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001611672537 1072809716 /nfs/dbraw/zinc/80/97/16/1072809716.db2.gz TVSMNXIEKOGCNR-HRCADAONSA-N 1 2 432.566 0.795 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CC[C@H](F)C1 ZINC001611672538 1072810292 /nfs/dbraw/zinc/81/02/92/1072810292.db2.gz TVSMNXIEKOGCNR-JYJNAYRXSA-N 1 2 432.566 0.795 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001611672539 1072810165 /nfs/dbraw/zinc/81/01/65/1072810165.db2.gz TVSMNXIEKOGCNR-XHSDSOJGSA-N 1 2 432.566 0.795 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611676444 1072813825 /nfs/dbraw/zinc/81/38/25/1072813825.db2.gz XOKRNVLNHFVZSO-JYJNAYRXSA-N 1 2 426.587 0.845 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@H](C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611676445 1072813655 /nfs/dbraw/zinc/81/36/55/1072813655.db2.gz XOKRNVLNHFVZSO-OAGGEKHMSA-N 1 2 426.587 0.845 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611676446 1072813756 /nfs/dbraw/zinc/81/37/56/1072813756.db2.gz XOKRNVLNHFVZSO-OWCLPIDISA-N 1 2 426.587 0.845 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611676447 1072813871 /nfs/dbraw/zinc/81/38/71/1072813871.db2.gz XOKRNVLNHFVZSO-XHSDSOJGSA-N 1 2 426.587 0.845 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC=CCC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001611677132 1072814506 /nfs/dbraw/zinc/81/45/06/1072814506.db2.gz JQSRHRNNELUQJT-INIZCTEOSA-N 1 2 447.565 0.935 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=CCC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001611677133 1072814390 /nfs/dbraw/zinc/81/43/90/1072814390.db2.gz JQSRHRNNELUQJT-MRXNPFEDSA-N 1 2 447.565 0.935 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611684473 1072818596 /nfs/dbraw/zinc/81/85/96/1072818596.db2.gz MEQUUTFBMUNDGL-HLLBOEOZSA-N 1 2 426.587 0.845 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611684473 1072818588 /nfs/dbraw/zinc/81/85/88/1072818588.db2.gz MEQUUTFBMUNDGL-HLLBOEOZSA-N 1 2 426.587 0.845 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611684474 1072818550 /nfs/dbraw/zinc/81/85/50/1072818550.db2.gz MEQUUTFBMUNDGL-VYDXJSESSA-N 1 2 426.587 0.845 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611684474 1072818540 /nfs/dbraw/zinc/81/85/40/1072818540.db2.gz MEQUUTFBMUNDGL-VYDXJSESSA-N 1 2 426.587 0.845 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611684475 1072818789 /nfs/dbraw/zinc/81/87/89/1072818789.db2.gz MEQUUTFBMUNDGL-YQQAZPJKSA-N 1 2 426.587 0.845 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611684475 1072818780 /nfs/dbraw/zinc/81/87/80/1072818780.db2.gz MEQUUTFBMUNDGL-YQQAZPJKSA-N 1 2 426.587 0.845 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611684476 1072818734 /nfs/dbraw/zinc/81/87/34/1072818734.db2.gz MEQUUTFBMUNDGL-ZOBUZTSGSA-N 1 2 426.587 0.845 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611684476 1072818724 /nfs/dbraw/zinc/81/87/24/1072818724.db2.gz MEQUUTFBMUNDGL-ZOBUZTSGSA-N 1 2 426.587 0.845 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(F)(F)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611686734 1072820755 /nfs/dbraw/zinc/82/07/55/1072820755.db2.gz LJIKUJRHWNJYCO-CYBMUJFWSA-N 1 2 434.513 0.599 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(F)(F)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611686735 1072820606 /nfs/dbraw/zinc/82/06/06/1072820606.db2.gz LJIKUJRHWNJYCO-ZDUSSCGKSA-N 1 2 434.513 0.599 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC001611690360 1072823900 /nfs/dbraw/zinc/82/39/00/1072823900.db2.gz HUZGWRGDIOFKDE-BXWFABGCSA-N 1 2 442.586 0.226 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC001611690361 1072823739 /nfs/dbraw/zinc/82/37/39/1072823739.db2.gz HUZGWRGDIOFKDE-GJYPPUQNSA-N 1 2 442.586 0.226 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC001611690362 1072823834 /nfs/dbraw/zinc/82/38/34/1072823834.db2.gz HUZGWRGDIOFKDE-JTDSTZFVSA-N 1 2 442.586 0.226 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC001611690363 1072823965 /nfs/dbraw/zinc/82/39/65/1072823965.db2.gz HUZGWRGDIOFKDE-TXPKVOOTSA-N 1 2 442.586 0.226 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCC[C@H]21)[NH+]1CCOCC1 ZINC001611693836 1072827546 /nfs/dbraw/zinc/82/75/46/1072827546.db2.gz FNVPTJIYIGEWHJ-LTIDMASMSA-N 1 2 426.587 0.988 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCC[C@H]21)[NH+]1CCOCC1 ZINC001611693837 1072827432 /nfs/dbraw/zinc/82/74/32/1072827432.db2.gz FNVPTJIYIGEWHJ-LUKYLMHMSA-N 1 2 426.587 0.988 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCC[C@@H]21)[NH+]1CCOCC1 ZINC001611693838 1072827508 /nfs/dbraw/zinc/82/75/08/1072827508.db2.gz FNVPTJIYIGEWHJ-QAETUUGQSA-N 1 2 426.587 0.988 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCC[C@@H]21)[NH+]1CCOCC1 ZINC001611693839 1072827320 /nfs/dbraw/zinc/82/73/20/1072827320.db2.gz FNVPTJIYIGEWHJ-QZWWFDLISA-N 1 2 426.587 0.988 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H]1CC=CCO1 ZINC001611707267 1072835871 /nfs/dbraw/zinc/83/58/71/1072835871.db2.gz NWHSRHUAGQKYSF-DLBZAZTESA-N 1 2 447.565 0.955 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H]1CC=CCO1 ZINC001611707268 1072836169 /nfs/dbraw/zinc/83/61/69/1072836169.db2.gz NWHSRHUAGQKYSF-IAGOWNOFSA-N 1 2 447.565 0.955 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@H]1CC=CCO1 ZINC001611707269 1072835907 /nfs/dbraw/zinc/83/59/07/1072835907.db2.gz NWHSRHUAGQKYSF-IRXDYDNUSA-N 1 2 447.565 0.955 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@H]1CC=CCO1 ZINC001611707270 1072835967 /nfs/dbraw/zinc/83/59/67/1072835967.db2.gz NWHSRHUAGQKYSF-SJORKVTESA-N 1 2 447.565 0.955 20 0 ICADLO CC(C)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001611710555 1072837699 /nfs/dbraw/zinc/83/76/99/1072837699.db2.gz BJBPNHADIHZTKD-IKGGRYGDSA-N 1 2 444.602 0.470 20 0 ICADLO CC(C)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001611710556 1072837776 /nfs/dbraw/zinc/83/77/76/1072837776.db2.gz BJBPNHADIHZTKD-IXDOHACOSA-N 1 2 444.602 0.470 20 0 ICADLO CC(C)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001611710557 1072837683 /nfs/dbraw/zinc/83/76/83/1072837683.db2.gz BJBPNHADIHZTKD-ULQDDVLXSA-N 1 2 444.602 0.470 20 0 ICADLO CC(C)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001611710558 1072837762 /nfs/dbraw/zinc/83/77/62/1072837762.db2.gz BJBPNHADIHZTKD-YESZJQIVSA-N 1 2 444.602 0.470 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1)[NH+]1CCOCC1 ZINC001611716726 1072846782 /nfs/dbraw/zinc/84/67/82/1072846782.db2.gz CEMACPFLLKJQCP-CABCVRRESA-N 1 2 446.643 0.941 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1)[NH+]1CCOCC1 ZINC001611716727 1072846625 /nfs/dbraw/zinc/84/66/25/1072846625.db2.gz CEMACPFLLKJQCP-GJZGRUSLSA-N 1 2 446.643 0.941 20 0 ICADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1)[NH+]1CCOCC1 ZINC001611716728 1072846732 /nfs/dbraw/zinc/84/67/32/1072846732.db2.gz CEMACPFLLKJQCP-HUUCEWRRSA-N 1 2 446.643 0.941 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC(C)(C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001611716729 1072846424 /nfs/dbraw/zinc/84/64/24/1072846424.db2.gz CEMACPFLLKJQCP-LSDHHAIUSA-N 1 2 446.643 0.941 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611716918 1072847254 /nfs/dbraw/zinc/84/72/54/1072847254.db2.gz GSGAVSMMGQBKMI-AWEZNQCLSA-N 1 2 430.600 0.306 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611716919 1072847121 /nfs/dbraw/zinc/84/71/21/1072847121.db2.gz GSGAVSMMGQBKMI-CQSZACIVSA-N 1 2 430.600 0.306 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001611717870 1072848976 /nfs/dbraw/zinc/84/89/76/1072848976.db2.gz XWMBRQUIWUNEFC-CYBMUJFWSA-N 1 2 425.584 0.951 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001611717871 1072849157 /nfs/dbraw/zinc/84/91/57/1072849157.db2.gz XWMBRQUIWUNEFC-ZDUSSCGKSA-N 1 2 425.584 0.951 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001611718509 1072849080 /nfs/dbraw/zinc/84/90/80/1072849080.db2.gz AKTWFVRUZWYTOL-CAOSSQGBSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001611718510 1072849050 /nfs/dbraw/zinc/84/90/50/1072849050.db2.gz AKTWFVRUZWYTOL-JONQDZQNSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001611718511 1072849180 /nfs/dbraw/zinc/84/91/80/1072849180.db2.gz AKTWFVRUZWYTOL-LVQVYYBASA-N 1 2 430.575 0.223 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001611718512 1072849129 /nfs/dbraw/zinc/84/91/29/1072849129.db2.gz AKTWFVRUZWYTOL-WCVJEAGWSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611719195 1072849976 /nfs/dbraw/zinc/84/99/76/1072849976.db2.gz PQXLZSJVDWZYHW-CAOSSQGBSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611719195 1072849962 /nfs/dbraw/zinc/84/99/62/1072849962.db2.gz PQXLZSJVDWZYHW-CAOSSQGBSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611719196 1072850051 /nfs/dbraw/zinc/85/00/51/1072850051.db2.gz PQXLZSJVDWZYHW-LVQVYYBASA-N 1 2 430.575 0.223 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611719196 1072850039 /nfs/dbraw/zinc/85/00/39/1072850039.db2.gz PQXLZSJVDWZYHW-LVQVYYBASA-N 1 2 430.575 0.223 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001611719397 1072850181 /nfs/dbraw/zinc/85/01/81/1072850181.db2.gz UHJXHNPFXSTQSH-AWEZNQCLSA-N 1 2 439.590 0.391 20 0 ICADLO C[C@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001611719397 1072850163 /nfs/dbraw/zinc/85/01/63/1072850163.db2.gz UHJXHNPFXSTQSH-AWEZNQCLSA-N 1 2 439.590 0.391 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001611719398 1072850089 /nfs/dbraw/zinc/85/00/89/1072850089.db2.gz UHJXHNPFXSTQSH-CQSZACIVSA-N 1 2 439.590 0.391 20 0 ICADLO C[C@@H](NS(C)(=O)=O)c1nnc(Nc2ccn(C)n2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001611719398 1072850085 /nfs/dbraw/zinc/85/00/85/1072850085.db2.gz UHJXHNPFXSTQSH-CQSZACIVSA-N 1 2 439.590 0.391 20 0 ICADLO C[C@]1(C(N)=O)CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001611774349 1072852581 /nfs/dbraw/zinc/85/25/81/1072852581.db2.gz BTEUTLDTAAOFRS-NRFANRHFSA-N 1 2 433.557 0.327 20 0 ICADLO C[C@]1(C(N)=O)CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001611774349 1072852566 /nfs/dbraw/zinc/85/25/66/1072852566.db2.gz BTEUTLDTAAOFRS-NRFANRHFSA-N 1 2 433.557 0.327 20 0 ICADLO C[C@@]1(C(N)=O)CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001611774350 1072852652 /nfs/dbraw/zinc/85/26/52/1072852652.db2.gz BTEUTLDTAAOFRS-OAQYLSRUSA-N 1 2 433.557 0.327 20 0 ICADLO C[C@@]1(C(N)=O)CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001611774350 1072852636 /nfs/dbraw/zinc/85/26/36/1072852636.db2.gz BTEUTLDTAAOFRS-OAQYLSRUSA-N 1 2 433.557 0.327 20 0 ICADLO CC1(C)C[N@@H+](CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCO1 ZINC001611797020 1072855902 /nfs/dbraw/zinc/85/59/02/1072855902.db2.gz ILUXNMNSVZMWAK-KRWDZBQOSA-N 1 2 447.584 0.717 20 0 ICADLO CC1(C)C[N@H+](CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCO1 ZINC001611797020 1072855891 /nfs/dbraw/zinc/85/58/91/1072855891.db2.gz ILUXNMNSVZMWAK-KRWDZBQOSA-N 1 2 447.584 0.717 20 0 ICADLO CC1(C)C[N@@H+](CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](CC(N)=O)C2)CCO1 ZINC001611797021 1072856272 /nfs/dbraw/zinc/85/62/72/1072856272.db2.gz ILUXNMNSVZMWAK-QGZVFWFLSA-N 1 2 447.584 0.717 20 0 ICADLO CC1(C)C[N@H+](CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](CC(N)=O)C2)CCO1 ZINC001611797021 1072856255 /nfs/dbraw/zinc/85/62/55/1072856255.db2.gz ILUXNMNSVZMWAK-QGZVFWFLSA-N 1 2 447.584 0.717 20 0 ICADLO CC1(C)COCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001611799791 1072856820 /nfs/dbraw/zinc/85/68/20/1072856820.db2.gz LCQJJAYIULRGPB-MRXNPFEDSA-N 1 2 433.557 0.327 20 0 ICADLO CC1(C)COCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001611799791 1072856808 /nfs/dbraw/zinc/85/68/08/1072856808.db2.gz LCQJJAYIULRGPB-MRXNPFEDSA-N 1 2 433.557 0.327 20 0 ICADLO Cc1c(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)cnn1C ZINC001611874855 1072860495 /nfs/dbraw/zinc/86/04/95/1072860495.db2.gz VKBSKACZGSWUDG-UHFFFAOYSA-N 1 2 439.524 0.784 20 0 ICADLO Cc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC(=O)N1CCOCC1 ZINC001611967129 1072864706 /nfs/dbraw/zinc/86/47/06/1072864706.db2.gz GKUHISDZJFGWHV-UHFFFAOYSA-N 1 2 428.541 0.994 20 0 ICADLO Cc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCN2CCCS2(=O)=O)o1 ZINC001612021975 1072865696 /nfs/dbraw/zinc/86/56/96/1072865696.db2.gz UXMIZVIRQDEYOO-UHFFFAOYSA-N 1 2 438.554 0.650 20 0 ICADLO Cc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)n2CC(=O)N(C)C)o1 ZINC001612041917 1072866828 /nfs/dbraw/zinc/86/68/28/1072866828.db2.gz OSALFSGGAQJWHC-HNNXBMFYSA-N 1 2 429.525 0.724 20 0 ICADLO Cc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2CC(=O)N(C)C)o1 ZINC001612041918 1072866688 /nfs/dbraw/zinc/86/66/88/1072866688.db2.gz OSALFSGGAQJWHC-OAHLLOKOSA-N 1 2 429.525 0.724 20 0 ICADLO Cc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)o1 ZINC001612042789 1072866717 /nfs/dbraw/zinc/86/67/17/1072866717.db2.gz IPCUPKKKRZDVGU-KRWDZBQOSA-N 1 2 445.568 0.777 20 0 ICADLO Cc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)o1 ZINC001612042789 1072866710 /nfs/dbraw/zinc/86/67/10/1072866710.db2.gz IPCUPKKKRZDVGU-KRWDZBQOSA-N 1 2 445.568 0.777 20 0 ICADLO Cc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)o1 ZINC001612042790 1072866743 /nfs/dbraw/zinc/86/67/43/1072866743.db2.gz IPCUPKKKRZDVGU-QGZVFWFLSA-N 1 2 445.568 0.777 20 0 ICADLO Cc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CC[N@H+]2CCOC[C@H]2C)o1 ZINC001612042790 1072866736 /nfs/dbraw/zinc/86/67/36/1072866736.db2.gz IPCUPKKKRZDVGU-QGZVFWFLSA-N 1 2 445.568 0.777 20 0 ICADLO Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)C)CC2)c(=O)n1C ZINC001612079392 1072868837 /nfs/dbraw/zinc/86/88/37/1072868837.db2.gz BJWBLGBIXMXXIL-GOSISDBHSA-N 1 2 448.593 0.766 20 0 ICADLO Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)C)CC2)c(=O)n1C ZINC001612079393 1072868656 /nfs/dbraw/zinc/86/86/56/1072868656.db2.gz BJWBLGBIXMXXIL-SFHVURJKSA-N 1 2 448.593 0.766 20 0 ICADLO Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC2(C(N)=O)CCOCC2)n1 ZINC001612192049 1072872332 /nfs/dbraw/zinc/87/23/32/1072872332.db2.gz VSMIOYUYMKSANZ-UHFFFAOYSA-N 1 2 443.552 0.699 20 0 ICADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)[nH+]1 ZINC001612219189 1072874836 /nfs/dbraw/zinc/87/48/36/1072874836.db2.gz AGWXUNLIQGNZPF-CVEARBPZSA-N 1 2 449.581 0.891 20 0 ICADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC001612219190 1072874861 /nfs/dbraw/zinc/87/48/61/1072874861.db2.gz AGWXUNLIQGNZPF-HOTGVXAUSA-N 1 2 449.581 0.891 20 0 ICADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)[nH+]1 ZINC001612219191 1072874996 /nfs/dbraw/zinc/87/49/96/1072874996.db2.gz AGWXUNLIQGNZPF-HZPDHXFCSA-N 1 2 449.581 0.891 20 0 ICADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC001612219192 1072875073 /nfs/dbraw/zinc/87/50/73/1072875073.db2.gz AGWXUNLIQGNZPF-JKSUJKDBSA-N 1 2 449.581 0.891 20 0 ICADLO Cc1ccccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1CC(=O)N1CCOCC1 ZINC001612261698 1072876348 /nfs/dbraw/zinc/87/63/48/1072876348.db2.gz NQCRDNCIFQSFJM-UHFFFAOYSA-N 1 2 428.537 0.881 20 0 ICADLO Cc1ccccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1CCCNS(C)(=O)=O ZINC001612263007 1072876370 /nfs/dbraw/zinc/87/63/70/1072876370.db2.gz XKWBTIDXHWMFJR-UHFFFAOYSA-N 1 2 436.582 0.961 20 0 ICADLO Cc1ccccc1Cc1nnc(N(C)CC[NH+]2CCOCC2)n1CCNS(C)(=O)=O ZINC001612284479 1072877334 /nfs/dbraw/zinc/87/73/34/1072877334.db2.gz AWHZQDDEODRMSS-UHFFFAOYSA-N 1 2 436.582 0.495 20 0 ICADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CC(=O)N2CCOCC2)cs1 ZINC001612395081 1072882809 /nfs/dbraw/zinc/88/28/09/1072882809.db2.gz KULRFOYQSQVGPQ-UHFFFAOYSA-N 1 2 449.581 0.261 20 0 ICADLO Cc1n[nH]c(CCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CCOC(C)C)CC2)n1 ZINC001612417537 1072885330 /nfs/dbraw/zinc/88/53/30/1072885330.db2.gz HLMDTZKBNZSLIM-UHFFFAOYSA-N 1 2 445.572 0.730 20 0 ICADLO Cc1nc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CCOC(C)C)CC2)n[nH]1 ZINC001612417537 1072885323 /nfs/dbraw/zinc/88/53/23/1072885323.db2.gz HLMDTZKBNZSLIM-UHFFFAOYSA-N 1 2 445.572 0.730 20 0 ICADLO Cc1n[nH]c(CCn2c(C(=O)NC(C)C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001612417959 1072885004 /nfs/dbraw/zinc/88/50/04/1072885004.db2.gz VIQNWIBPNJEZEE-GASCZTMLSA-N 1 2 433.561 0.631 20 0 ICADLO Cc1n[nH]c(CCn2c(C(=O)NC(C)C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001612417959 1072884994 /nfs/dbraw/zinc/88/49/94/1072884994.db2.gz VIQNWIBPNJEZEE-GASCZTMLSA-N 1 2 433.561 0.631 20 0 ICADLO Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n[nH]1 ZINC001612417959 1072884985 /nfs/dbraw/zinc/88/49/85/1072884985.db2.gz VIQNWIBPNJEZEE-GASCZTMLSA-N 1 2 433.561 0.631 20 0 ICADLO Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n[nH]1 ZINC001612417959 1072884975 /nfs/dbraw/zinc/88/49/75/1072884975.db2.gz VIQNWIBPNJEZEE-GASCZTMLSA-N 1 2 433.561 0.631 20 0 ICADLO Cc1n[nH]c(CCn2c(-c3cnccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)n1 ZINC001612420687 1072886172 /nfs/dbraw/zinc/88/61/72/1072886172.db2.gz NGRLRBLZAOQHKY-UHFFFAOYSA-N 1 2 426.529 0.951 20 0 ICADLO Cc1nc(N2CCN(c3nnc(C(C)C)n3CCOCCS(C)(=O)=O)CC2)cc[nH+]1 ZINC001612439391 1072888449 /nfs/dbraw/zinc/88/84/49/1072888449.db2.gz BTTTUSSBBBJFFA-UHFFFAOYSA-N 1 2 437.570 0.888 20 0 ICADLO Cc1nc(N2CCN(c3nnc(-c4cccn4C)n3CCS(C)(=O)=O)CC2)cc[nH+]1 ZINC001612439497 1072888353 /nfs/dbraw/zinc/88/83/53/1072888353.db2.gz FBLNBFMNVYKRDW-UHFFFAOYSA-N 1 2 430.538 0.753 20 0 ICADLO Cc1nc(N2CCN(c3nnc(CN4CCCC4=O)n3CCOCCCO)CC2)cc[nH+]1 ZINC001612439601 1072888215 /nfs/dbraw/zinc/88/82/15/1072888215.db2.gz INBMVOCOSPKGML-UHFFFAOYSA-N 1 2 444.540 0.225 20 0 ICADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3COCCO3)CC2)cc[nH+]1 ZINC001612439727 1072888186 /nfs/dbraw/zinc/88/81/86/1072888186.db2.gz ZNEZDWATOWVMQG-MRXNPFEDSA-N 1 2 430.513 0.257 20 0 ICADLO Cc1nc(N2CCN(c3nnc(-c4cccn4C)n3CCNS(C)(=O)=O)CC2)cc[nH+]1 ZINC001612439756 1072888414 /nfs/dbraw/zinc/88/84/14/1072888414.db2.gz JPDQEPQFWLCYRN-UHFFFAOYSA-N 1 2 445.553 0.258 20 0 ICADLO Cc1nc(N2CCN(c3nnc([C@H]4CCOC4)n3CCNC(=O)C(C)C)CC2)cc[nH+]1 ZINC001612439789 1072888549 /nfs/dbraw/zinc/88/85/49/1072888549.db2.gz KSRSXMYNQVVIRM-KRWDZBQOSA-N 1 2 428.541 0.979 20 0 ICADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCNC(=O)C(C)C)CC2)cc[nH+]1 ZINC001612439790 1072888597 /nfs/dbraw/zinc/88/85/97/1072888597.db2.gz KSRSXMYNQVVIRM-QGZVFWFLSA-N 1 2 428.541 0.979 20 0 ICADLO Cc1nc(N2CCN(c3nnc(CN4CCCC4=O)n3CCC(C)(C)O)CC2)cc[nH+]1 ZINC001612439881 1072888479 /nfs/dbraw/zinc/88/84/79/1072888479.db2.gz OETLRHSRHMIPCN-UHFFFAOYSA-N 1 2 428.541 0.987 20 0 ICADLO Cc1nc(N2CCN(c3nnc(CC(C)C)n3CCCNS(C)(=O)=O)CC2)cc[nH+]1 ZINC001612440001 1072888308 /nfs/dbraw/zinc/88/83/08/1072888308.db2.gz SMXFZBYNIGDMPY-UHFFFAOYSA-N 1 2 436.586 0.841 20 0 ICADLO Cc1nc(N2CCN(c3nnc(Cc4ccccn4)n3CCS(C)(=O)=O)CC2)cc[nH+]1 ZINC001612440132 1072888512 /nfs/dbraw/zinc/88/85/12/1072888512.db2.gz XUCBAYFSKHNYGA-UHFFFAOYSA-N 1 2 442.549 0.734 20 0 ICADLO Cc1nc(N2CCN(c3nnc([C@H]4CCCO4)n3CC(=O)NCC(F)F)CC2)cc[nH+]1 ZINC001612440873 1072888567 /nfs/dbraw/zinc/88/85/67/1072888567.db2.gz ZHBSUKWCKKYVGL-CQSZACIVSA-N 1 2 436.467 0.936 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)C)n2CC2([NH+]3CCOCC3)CC2)n1 ZINC001612478266 1072894101 /nfs/dbraw/zinc/89/41/01/1072894101.db2.gz QXOYCRSOFHKRKS-UHFFFAOYSA-N 1 2 444.584 0.965 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@]2(C)CN(C)C2=O)n1 ZINC001612484743 1072894664 /nfs/dbraw/zinc/89/46/64/1072894664.db2.gz BNVQDQWAJQCQSQ-NRFANRHFSA-N 1 2 430.557 0.386 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@]2(C)CN(C)C2=O)n1 ZINC001612484744 1072894635 /nfs/dbraw/zinc/89/46/35/1072894635.db2.gz BNVQDQWAJQCQSQ-OAQYLSRUSA-N 1 2 430.557 0.386 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CC[C@H]2COCCO2)n1 ZINC001612485391 1072895144 /nfs/dbraw/zinc/89/51/44/1072895144.db2.gz RKKFJUTYMNYRGW-IBGZPJMESA-N 1 2 433.557 0.714 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CC[C@@H]2COCCO2)n1 ZINC001612485392 1072895289 /nfs/dbraw/zinc/89/52/89/1072895289.db2.gz RKKFJUTYMNYRGW-LJQANCHMSA-N 1 2 433.557 0.714 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001612497102 1072897286 /nfs/dbraw/zinc/89/72/86/1072897286.db2.gz YUMXNIPXIDORPV-MOPGFXCFSA-N 1 2 444.584 0.952 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001612497103 1072897225 /nfs/dbraw/zinc/89/72/25/1072897225.db2.gz YUMXNIPXIDORPV-OALUTQOASA-N 1 2 444.584 0.952 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001612497104 1072897144 /nfs/dbraw/zinc/89/71/44/1072897144.db2.gz YUMXNIPXIDORPV-RBUKOAKNSA-N 1 2 444.584 0.952 20 0 ICADLO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001612497105 1072897312 /nfs/dbraw/zinc/89/73/12/1072897312.db2.gz YUMXNIPXIDORPV-RTBURBONSA-N 1 2 444.584 0.952 20 0 ICADLO Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001612567959 1072904027 /nfs/dbraw/zinc/90/40/27/1072904027.db2.gz NMZYJXGQZIHATQ-UHFFFAOYSA-N 1 2 449.581 0.632 20 0 ICADLO Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001612568019 1072904009 /nfs/dbraw/zinc/90/40/09/1072904009.db2.gz OYMQXFAOEJDZAM-UHFFFAOYSA-N 1 2 449.581 0.632 20 0 ICADLO Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001612581558 1072905516 /nfs/dbraw/zinc/90/55/16/1072905516.db2.gz HADNTWCRIZNYFF-KRWDZBQOSA-N 1 2 426.587 0.559 20 0 ICADLO Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001612581559 1072905547 /nfs/dbraw/zinc/90/55/47/1072905547.db2.gz HADNTWCRIZNYFF-QGZVFWFLSA-N 1 2 426.587 0.559 20 0 ICADLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001612596067 1072908941 /nfs/dbraw/zinc/90/89/41/1072908941.db2.gz LCAWRRFQOWJNJM-INIZCTEOSA-N 1 2 433.557 0.002 20 0 ICADLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001612596068 1072909008 /nfs/dbraw/zinc/90/90/08/1072909008.db2.gz LCAWRRFQOWJNJM-MRXNPFEDSA-N 1 2 433.557 0.002 20 0 ICADLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001612596165 1072908999 /nfs/dbraw/zinc/90/89/99/1072908999.db2.gz OAYQJWBWGHMHFD-CYBMUJFWSA-N 1 2 431.463 0.398 20 0 ICADLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001612596166 1072909029 /nfs/dbraw/zinc/90/90/29/1072909029.db2.gz OAYQJWBWGHMHFD-ZDUSSCGKSA-N 1 2 431.463 0.398 20 0 ICADLO Cc1nnc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1CCCC(=O)N(C)C ZINC001612598587 1072909235 /nfs/dbraw/zinc/90/92/35/1072909235.db2.gz QPLDXMXTUYYXJA-UHFFFAOYSA-N 1 2 443.556 0.408 20 0 ICADLO Cc1nnc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1CCCC(=O)N(C)C ZINC001612598587 1072909232 /nfs/dbraw/zinc/90/92/32/1072909232.db2.gz QPLDXMXTUYYXJA-UHFFFAOYSA-N 1 2 443.556 0.408 20 0 ICADLO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001612602256 1072910210 /nfs/dbraw/zinc/91/02/10/1072910210.db2.gz REMJACUCSFEUCW-AQNXPRMDSA-N 1 2 447.628 0.934 20 0 ICADLO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001612602257 1072910323 /nfs/dbraw/zinc/91/03/23/1072910323.db2.gz REMJACUCSFEUCW-HSALFYBXSA-N 1 2 447.628 0.934 20 0 ICADLO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001612602258 1072910193 /nfs/dbraw/zinc/91/01/93/1072910193.db2.gz REMJACUCSFEUCW-VAMGGRTRSA-N 1 2 447.628 0.934 20 0 ICADLO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001612602259 1072910266 /nfs/dbraw/zinc/91/02/66/1072910266.db2.gz REMJACUCSFEUCW-ZCNNSNEGSA-N 1 2 447.628 0.934 20 0 ICADLO Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001612602264 1072910226 /nfs/dbraw/zinc/91/02/26/1072910226.db2.gz RIYYOVJTEJCWBC-IBGZPJMESA-N 1 2 433.601 0.832 20 0 ICADLO Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001612602264 1072910224 /nfs/dbraw/zinc/91/02/24/1072910224.db2.gz RIYYOVJTEJCWBC-IBGZPJMESA-N 1 2 433.601 0.832 20 0 ICADLO Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001612602265 1072910337 /nfs/dbraw/zinc/91/03/37/1072910337.db2.gz RIYYOVJTEJCWBC-LJQANCHMSA-N 1 2 433.601 0.832 20 0 ICADLO Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001612602265 1072910335 /nfs/dbraw/zinc/91/03/35/1072910335.db2.gz RIYYOVJTEJCWBC-LJQANCHMSA-N 1 2 433.601 0.832 20 0 ICADLO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccc[nH+]3)CC2)on1 ZINC001612644772 1072914792 /nfs/dbraw/zinc/91/47/92/1072914792.db2.gz MUEUFPRVHRQRDP-HNNXBMFYSA-N 1 2 446.537 0.955 20 0 ICADLO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cccc[nH+]3)CC2)on1 ZINC001612644780 1072914690 /nfs/dbraw/zinc/91/46/90/1072914690.db2.gz MUEUFPRVHRQRDP-OAHLLOKOSA-N 1 2 446.537 0.955 20 0 ICADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCNS(C)(=O)=O)CC2)on1 ZINC001612648220 1072914772 /nfs/dbraw/zinc/91/47/72/1072914772.db2.gz FVVSRBQMEFZSJY-UHFFFAOYSA-N 1 2 425.559 0.743 20 0 ICADLO C[C@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001612650425 1072915124 /nfs/dbraw/zinc/91/51/24/1072915124.db2.gz HHECTNOXYNMZSK-HNNXBMFYSA-N 1 2 426.525 0.690 20 0 ICADLO C[C@@H]1C(=O)N(C)CCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001612650441 1072915119 /nfs/dbraw/zinc/91/51/19/1072915119.db2.gz HHECTNOXYNMZSK-OAHLLOKOSA-N 1 2 426.525 0.690 20 0 ICADLO C[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001612850060 1072924991 /nfs/dbraw/zinc/92/49/91/1072924991.db2.gz GRTUWBYVSGGSHU-DOTOQJQBSA-N 1 2 449.581 0.967 20 0 ICADLO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001612850067 1072925426 /nfs/dbraw/zinc/92/54/26/1072925426.db2.gz GRTUWBYVSGGSHU-NVXWUHKLSA-N 1 2 449.581 0.967 20 0 ICADLO C[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001612850069 1072925401 /nfs/dbraw/zinc/92/54/01/1072925401.db2.gz GRTUWBYVSGGSHU-RDJZCZTQSA-N 1 2 449.581 0.967 20 0 ICADLO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001612850071 1072925335 /nfs/dbraw/zinc/92/53/35/1072925335.db2.gz GRTUWBYVSGGSHU-WBVHZDCISA-N 1 2 449.581 0.967 20 0 ICADLO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CC(=O)N1C ZINC001612886089 1072930839 /nfs/dbraw/zinc/93/08/39/1072930839.db2.gz DSOBQSSVMQBLSD-INIZCTEOSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC(=O)N1C ZINC001612886089 1072930835 /nfs/dbraw/zinc/93/08/35/1072930835.db2.gz DSOBQSSVMQBLSD-INIZCTEOSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CC(=O)N1C ZINC001612886090 1072930826 /nfs/dbraw/zinc/93/08/26/1072930826.db2.gz DSOBQSSVMQBLSD-MRXNPFEDSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC(=O)N1C ZINC001612886090 1072930824 /nfs/dbraw/zinc/93/08/24/1072930824.db2.gz DSOBQSSVMQBLSD-MRXNPFEDSA-N 1 2 433.557 0.292 20 0 ICADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC001612894228 1072931999 /nfs/dbraw/zinc/93/19/99/1072931999.db2.gz AKTWFVRUZWYTOL-FPCVCCKLSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC001612894230 1072932052 /nfs/dbraw/zinc/93/20/52/1072932052.db2.gz AKTWFVRUZWYTOL-JJXSEGSLSA-N 1 2 430.575 0.223 20 0 ICADLO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCOC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC001612993747 1072947528 /nfs/dbraw/zinc/94/75/28/1072947528.db2.gz XOXAGYATKHYHPX-BRSBDYLESA-N 1 2 441.598 0.905 20 0 ICADLO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCOC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC001612993748 1072947551 /nfs/dbraw/zinc/94/75/51/1072947551.db2.gz XOXAGYATKHYHPX-TVFCKZIOSA-N 1 2 441.598 0.905 20 0 ICADLO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCOC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC001612993749 1072947447 /nfs/dbraw/zinc/94/74/47/1072947447.db2.gz XOXAGYATKHYHPX-XDNAFOTISA-N 1 2 441.598 0.905 20 0 ICADLO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCOC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC001612993749 1072947444 /nfs/dbraw/zinc/94/74/44/1072947444.db2.gz XOXAGYATKHYHPX-XDNAFOTISA-N 1 2 441.598 0.905 20 0 ICADLO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCOC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC001612993750 1072947434 /nfs/dbraw/zinc/94/74/34/1072947434.db2.gz XOXAGYATKHYHPX-XMTFNYHQSA-N 1 2 441.598 0.905 20 0 ICADLO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCOC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC001612993750 1072947431 /nfs/dbraw/zinc/94/74/31/1072947431.db2.gz XOXAGYATKHYHPX-XMTFNYHQSA-N 1 2 441.598 0.905 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001613010086 1072949843 /nfs/dbraw/zinc/94/98/43/1072949843.db2.gz HAXGHFXCGOUBRF-HNNXBMFYSA-N 1 2 426.587 0.642 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001613010086 1072949840 /nfs/dbraw/zinc/94/98/40/1072949840.db2.gz HAXGHFXCGOUBRF-HNNXBMFYSA-N 1 2 426.587 0.642 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001613010087 1072949809 /nfs/dbraw/zinc/94/98/09/1072949809.db2.gz HAXGHFXCGOUBRF-OAHLLOKOSA-N 1 2 426.587 0.642 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001613010087 1072949806 /nfs/dbraw/zinc/94/98/06/1072949806.db2.gz HAXGHFXCGOUBRF-OAHLLOKOSA-N 1 2 426.587 0.642 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001613010632 1072950227 /nfs/dbraw/zinc/95/02/27/1072950227.db2.gz MMEYVQZNOFDALJ-DLBZAZTESA-N 1 2 440.614 0.984 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001613010632 1072950225 /nfs/dbraw/zinc/95/02/25/1072950225.db2.gz MMEYVQZNOFDALJ-DLBZAZTESA-N 1 2 440.614 0.984 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001613010633 1072950387 /nfs/dbraw/zinc/95/03/87/1072950387.db2.gz MMEYVQZNOFDALJ-IAGOWNOFSA-N 1 2 440.614 0.984 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001613010633 1072950380 /nfs/dbraw/zinc/95/03/80/1072950380.db2.gz MMEYVQZNOFDALJ-IAGOWNOFSA-N 1 2 440.614 0.984 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001613010634 1072950319 /nfs/dbraw/zinc/95/03/19/1072950319.db2.gz MMEYVQZNOFDALJ-IRXDYDNUSA-N 1 2 440.614 0.984 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001613010634 1072950318 /nfs/dbraw/zinc/95/03/18/1072950318.db2.gz MMEYVQZNOFDALJ-IRXDYDNUSA-N 1 2 440.614 0.984 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001613010635 1072950274 /nfs/dbraw/zinc/95/02/74/1072950274.db2.gz MMEYVQZNOFDALJ-SJORKVTESA-N 1 2 440.614 0.984 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001613010635 1072950271 /nfs/dbraw/zinc/95/02/71/1072950271.db2.gz MMEYVQZNOFDALJ-SJORKVTESA-N 1 2 440.614 0.984 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001613011472 1072950367 /nfs/dbraw/zinc/95/03/67/1072950367.db2.gz VGAGSCQBOXAPSK-CABCVRRESA-N 1 2 445.490 0.634 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001613011472 1072950360 /nfs/dbraw/zinc/95/03/60/1072950360.db2.gz VGAGSCQBOXAPSK-CABCVRRESA-N 1 2 445.490 0.634 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001613011473 1072950245 /nfs/dbraw/zinc/95/02/45/1072950245.db2.gz VGAGSCQBOXAPSK-GJZGRUSLSA-N 1 2 445.490 0.634 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001613011473 1072950241 /nfs/dbraw/zinc/95/02/41/1072950241.db2.gz VGAGSCQBOXAPSK-GJZGRUSLSA-N 1 2 445.490 0.634 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001613011474 1072950880 /nfs/dbraw/zinc/95/08/80/1072950880.db2.gz VGAGSCQBOXAPSK-HUUCEWRRSA-N 1 2 445.490 0.634 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001613011474 1072950878 /nfs/dbraw/zinc/95/08/78/1072950878.db2.gz VGAGSCQBOXAPSK-HUUCEWRRSA-N 1 2 445.490 0.634 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001613011475 1072950758 /nfs/dbraw/zinc/95/07/58/1072950758.db2.gz VGAGSCQBOXAPSK-LSDHHAIUSA-N 1 2 445.490 0.634 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001613011475 1072950756 /nfs/dbraw/zinc/95/07/56/1072950756.db2.gz VGAGSCQBOXAPSK-LSDHHAIUSA-N 1 2 445.490 0.634 20 0 ICADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CCOC[C@@H]1C ZINC001613011698 1072950779 /nfs/dbraw/zinc/95/07/79/1072950779.db2.gz XPVPRQRZNVITSH-KBPBESRZSA-N 1 2 433.513 0.427 20 0 ICADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001613011698 1072950778 /nfs/dbraw/zinc/95/07/78/1072950778.db2.gz XPVPRQRZNVITSH-KBPBESRZSA-N 1 2 433.513 0.427 20 0 ICADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CCOC[C@@H]1C ZINC001613011699 1072950832 /nfs/dbraw/zinc/95/08/32/1072950832.db2.gz XPVPRQRZNVITSH-KGLIPLIRSA-N 1 2 433.513 0.427 20 0 ICADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001613011699 1072950830 /nfs/dbraw/zinc/95/08/30/1072950830.db2.gz XPVPRQRZNVITSH-KGLIPLIRSA-N 1 2 433.513 0.427 20 0 ICADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CCOC[C@H]1C ZINC001613011700 1072950864 /nfs/dbraw/zinc/95/08/64/1072950864.db2.gz XPVPRQRZNVITSH-UONOGXRCSA-N 1 2 433.513 0.427 20 0 ICADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CCOC[C@H]1C ZINC001613011700 1072950861 /nfs/dbraw/zinc/95/08/61/1072950861.db2.gz XPVPRQRZNVITSH-UONOGXRCSA-N 1 2 433.513 0.427 20 0 ICADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CCOC[C@H]1C ZINC001613011701 1072950748 /nfs/dbraw/zinc/95/07/48/1072950748.db2.gz XPVPRQRZNVITSH-ZIAGYGMSSA-N 1 2 433.513 0.427 20 0 ICADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CCOC[C@H]1C ZINC001613011701 1072950746 /nfs/dbraw/zinc/95/07/46/1072950746.db2.gz XPVPRQRZNVITSH-ZIAGYGMSSA-N 1 2 433.513 0.427 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 ZINC001613012782 1072951379 /nfs/dbraw/zinc/95/13/79/1072951379.db2.gz PJKHBNHHUMIURI-HNNXBMFYSA-N 1 2 447.565 0.269 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 ZINC001613012782 1072951377 /nfs/dbraw/zinc/95/13/77/1072951377.db2.gz PJKHBNHHUMIURI-HNNXBMFYSA-N 1 2 447.565 0.269 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 ZINC001613012783 1072951295 /nfs/dbraw/zinc/95/12/95/1072951295.db2.gz PJKHBNHHUMIURI-OAHLLOKOSA-N 1 2 447.565 0.269 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 ZINC001613012783 1072951293 /nfs/dbraw/zinc/95/12/93/1072951293.db2.gz PJKHBNHHUMIURI-OAHLLOKOSA-N 1 2 447.565 0.269 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001613013275 1072951288 /nfs/dbraw/zinc/95/12/88/1072951288.db2.gz WASLNHCWHOQWAW-CABCVRRESA-N 1 2 446.474 0.889 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001613013275 1072951284 /nfs/dbraw/zinc/95/12/84/1072951284.db2.gz WASLNHCWHOQWAW-CABCVRRESA-N 1 2 446.474 0.889 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001613013281 1072951320 /nfs/dbraw/zinc/95/13/20/1072951320.db2.gz WASLNHCWHOQWAW-GJZGRUSLSA-N 1 2 446.474 0.889 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001613013281 1072951315 /nfs/dbraw/zinc/95/13/15/1072951315.db2.gz WASLNHCWHOQWAW-GJZGRUSLSA-N 1 2 446.474 0.889 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001613013283 1072951345 /nfs/dbraw/zinc/95/13/45/1072951345.db2.gz WASLNHCWHOQWAW-HUUCEWRRSA-N 1 2 446.474 0.889 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001613013283 1072951341 /nfs/dbraw/zinc/95/13/41/1072951341.db2.gz WASLNHCWHOQWAW-HUUCEWRRSA-N 1 2 446.474 0.889 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001613013284 1072951355 /nfs/dbraw/zinc/95/13/55/1072951355.db2.gz WASLNHCWHOQWAW-LSDHHAIUSA-N 1 2 446.474 0.889 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001613013284 1072951353 /nfs/dbraw/zinc/95/13/53/1072951353.db2.gz WASLNHCWHOQWAW-LSDHHAIUSA-N 1 2 446.474 0.889 20 0 ICADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613014026 1072951369 /nfs/dbraw/zinc/95/13/69/1072951369.db2.gz FHVZUMNRBADCIW-DOTOQJQBSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613014026 1072951368 /nfs/dbraw/zinc/95/13/68/1072951368.db2.gz FHVZUMNRBADCIW-DOTOQJQBSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613014027 1072951330 /nfs/dbraw/zinc/95/13/30/1072951330.db2.gz FHVZUMNRBADCIW-NVXWUHKLSA-N 1 2 442.586 0.368 20 0 ICADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613014027 1072951328 /nfs/dbraw/zinc/95/13/28/1072951328.db2.gz FHVZUMNRBADCIW-NVXWUHKLSA-N 1 2 442.586 0.368 20 0 ICADLO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001613057398 1072957719 /nfs/dbraw/zinc/95/77/19/1072957719.db2.gz GKVORHGLLSPQPQ-RBUKOAKNSA-N 1 2 447.584 0.789 20 0 ICADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001613057399 1072957777 /nfs/dbraw/zinc/95/77/77/1072957777.db2.gz GKVORHGLLSPQPQ-RTBURBONSA-N 1 2 447.584 0.789 20 0 ICADLO CC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001613071998 1072958186 /nfs/dbraw/zinc/95/81/86/1072958186.db2.gz QULXBSANEZOZJU-BEFAXECRSA-N 1 2 437.570 0.771 20 0 ICADLO CC[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001613071999 1072958117 /nfs/dbraw/zinc/95/81/17/1072958117.db2.gz QULXBSANEZOZJU-DNVCBOLYSA-N 1 2 437.570 0.771 20 0 ICADLO CC[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001613072000 1072958592 /nfs/dbraw/zinc/95/85/92/1072958592.db2.gz QULXBSANEZOZJU-HNAYVOBHSA-N 1 2 437.570 0.771 20 0 ICADLO CC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001613072001 1072958534 /nfs/dbraw/zinc/95/85/34/1072958534.db2.gz QULXBSANEZOZJU-KXBFYZLASA-N 1 2 437.570 0.771 20 0 ICADLO CC[C@@H](C)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001613246831 1072963275 /nfs/dbraw/zinc/96/32/75/1072963275.db2.gz JWDNUCRXFAUQPL-APWZRJJASA-N 1 2 446.600 0.996 20 0 ICADLO CC[C@H](C)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001613246835 1072963291 /nfs/dbraw/zinc/96/32/91/1072963291.db2.gz JWDNUCRXFAUQPL-LPHOPBHVSA-N 1 2 446.600 0.996 20 0 ICADLO CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001613246837 1072963239 /nfs/dbraw/zinc/96/32/39/1072963239.db2.gz JWDNUCRXFAUQPL-QFBILLFUSA-N 1 2 446.600 0.996 20 0 ICADLO CC[C@@H](C)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001613246839 1072963248 /nfs/dbraw/zinc/96/32/48/1072963248.db2.gz JWDNUCRXFAUQPL-VQIMIIECSA-N 1 2 446.600 0.996 20 0 ICADLO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001613414214 1072970453 /nfs/dbraw/zinc/97/04/53/1072970453.db2.gz NJVZDEIBMLXFLK-ARFHVFGLSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001613414214 1072970452 /nfs/dbraw/zinc/97/04/52/1072970452.db2.gz NJVZDEIBMLXFLK-ARFHVFGLSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001613414218 1072970347 /nfs/dbraw/zinc/97/03/47/1072970347.db2.gz NJVZDEIBMLXFLK-HRCADAONSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001613414218 1072970339 /nfs/dbraw/zinc/97/03/39/1072970339.db2.gz NJVZDEIBMLXFLK-HRCADAONSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001613414220 1072970953 /nfs/dbraw/zinc/97/09/53/1072970953.db2.gz NJVZDEIBMLXFLK-JYJNAYRXSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001613414220 1072970952 /nfs/dbraw/zinc/97/09/52/1072970952.db2.gz NJVZDEIBMLXFLK-JYJNAYRXSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001613414222 1072970848 /nfs/dbraw/zinc/97/08/48/1072970848.db2.gz NJVZDEIBMLXFLK-XHSDSOJGSA-N 1 2 447.627 0.534 20 0 ICADLO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001613414222 1072970846 /nfs/dbraw/zinc/97/08/46/1072970846.db2.gz NJVZDEIBMLXFLK-XHSDSOJGSA-N 1 2 447.627 0.534 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@]1(C)CN(C)C1=O ZINC001613534938 1072976970 /nfs/dbraw/zinc/97/69/70/1072976970.db2.gz UXRDRFSBTKBTJZ-NRFANRHFSA-N 1 2 435.573 0.443 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@]1(C)CN(C)C1=O ZINC001613534939 1072977068 /nfs/dbraw/zinc/97/70/68/1072977068.db2.gz UXRDRFSBTKBTJZ-OAQYLSRUSA-N 1 2 435.573 0.443 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001613536813 1072977362 /nfs/dbraw/zinc/97/73/62/1072977362.db2.gz IYTBMJOFLFCKOO-INIZCTEOSA-N 1 2 449.600 0.974 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001613536813 1072977356 /nfs/dbraw/zinc/97/73/56/1072977356.db2.gz IYTBMJOFLFCKOO-INIZCTEOSA-N 1 2 449.600 0.974 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001613536814 1072977420 /nfs/dbraw/zinc/97/74/20/1072977420.db2.gz IYTBMJOFLFCKOO-MRXNPFEDSA-N 1 2 449.600 0.974 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001613536814 1072977415 /nfs/dbraw/zinc/97/74/15/1072977415.db2.gz IYTBMJOFLFCKOO-MRXNPFEDSA-N 1 2 449.600 0.974 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001613586500 1072983237 /nfs/dbraw/zinc/98/32/37/1072983237.db2.gz ZVKKWJQBLARUTL-UHFFFAOYSA-N 1 2 428.541 0.984 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1c[nH+]ccc1OC ZINC001613600881 1072987938 /nfs/dbraw/zinc/98/79/38/1072987938.db2.gz IEJOTJLKAUNUBC-UHFFFAOYSA-N 1 2 436.538 0.883 20 0 ICADLO CCC(CC)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC[NH+]1CCCCC1 ZINC001613601346 1072987844 /nfs/dbraw/zinc/98/78/44/1072987844.db2.gz ORHNOTDFXMMTLG-UHFFFAOYSA-N 1 2 426.587 0.917 20 0 ICADLO COC(=O)C1(c2ccc(CN3C(=O)C(=O)N(CCC[NH+]4CCOCC4)C3=O)cc2)CC1 ZINC001613642834 1072990570 /nfs/dbraw/zinc/99/05/70/1072990570.db2.gz VKBKFVWFXQSCNQ-UHFFFAOYSA-N 1 2 429.473 0.904 20 0 ICADLO CCC(O)(CC)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001613668424 1072991361 /nfs/dbraw/zinc/99/13/61/1072991361.db2.gz ACEWZONIPZAZPS-UHFFFAOYSA-N 1 2 444.584 0.974 20 0 ICADLO CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001613704591 1072992601 /nfs/dbraw/zinc/99/26/01/1072992601.db2.gz KGYLUJACTVSMOX-FRQCXROJSA-N 1 2 444.602 0.614 20 0 ICADLO CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001613704591 1072992599 /nfs/dbraw/zinc/99/25/99/1072992599.db2.gz KGYLUJACTVSMOX-FRQCXROJSA-N 1 2 444.602 0.614 20 0 ICADLO CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001613704592 1072992638 /nfs/dbraw/zinc/99/26/38/1072992638.db2.gz KGYLUJACTVSMOX-GPMSIDNRSA-N 1 2 444.602 0.614 20 0 ICADLO CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001613704592 1072992636 /nfs/dbraw/zinc/99/26/36/1072992636.db2.gz KGYLUJACTVSMOX-GPMSIDNRSA-N 1 2 444.602 0.614 20 0 ICADLO CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001613704593 1072992580 /nfs/dbraw/zinc/99/25/80/1072992580.db2.gz KGYLUJACTVSMOX-JTDSTZFVSA-N 1 2 444.602 0.614 20 0 ICADLO CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001613704593 1072992579 /nfs/dbraw/zinc/99/25/79/1072992579.db2.gz KGYLUJACTVSMOX-JTDSTZFVSA-N 1 2 444.602 0.614 20 0 ICADLO CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001613704594 1072993119 /nfs/dbraw/zinc/99/31/19/1072993119.db2.gz KGYLUJACTVSMOX-TXPKVOOTSA-N 1 2 444.602 0.614 20 0 ICADLO CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001613704594 1072993118 /nfs/dbraw/zinc/99/31/18/1072993118.db2.gz KGYLUJACTVSMOX-TXPKVOOTSA-N 1 2 444.602 0.614 20 0 ICADLO CCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCS(C)(=O)=O ZINC001613945553 1073002561 /nfs/dbraw/zinc/00/25/61/1073002561.db2.gz VSQRYYNXSFEONP-AEFFLSMTSA-N 1 2 440.614 0.654 20 0 ICADLO CCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCCS(C)(=O)=O ZINC001613945553 1073002553 /nfs/dbraw/zinc/00/25/53/1073002553.db2.gz VSQRYYNXSFEONP-AEFFLSMTSA-N 1 2 440.614 0.654 20 0 ICADLO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCS(C)(=O)=O ZINC001613945554 1073002606 /nfs/dbraw/zinc/00/26/06/1073002606.db2.gz VSQRYYNXSFEONP-FUHWJXTLSA-N 1 2 440.614 0.654 20 0 ICADLO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCCS(C)(=O)=O ZINC001613945554 1073002600 /nfs/dbraw/zinc/00/26/00/1073002600.db2.gz VSQRYYNXSFEONP-FUHWJXTLSA-N 1 2 440.614 0.654 20 0 ICADLO CCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCS(C)(=O)=O ZINC001613945555 1073002252 /nfs/dbraw/zinc/00/22/52/1073002252.db2.gz VSQRYYNXSFEONP-SJLPKXTDSA-N 1 2 440.614 0.654 20 0 ICADLO CCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCCS(C)(=O)=O ZINC001613945555 1073002243 /nfs/dbraw/zinc/00/22/43/1073002243.db2.gz VSQRYYNXSFEONP-SJLPKXTDSA-N 1 2 440.614 0.654 20 0 ICADLO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCS(C)(=O)=O ZINC001613945556 1073002171 /nfs/dbraw/zinc/00/21/71/1073002171.db2.gz VSQRYYNXSFEONP-WMZOPIPTSA-N 1 2 440.614 0.654 20 0 ICADLO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCS(C)(=O)=O ZINC001613945556 1073002163 /nfs/dbraw/zinc/00/21/63/1073002163.db2.gz VSQRYYNXSFEONP-WMZOPIPTSA-N 1 2 440.614 0.654 20 0 ICADLO CCc1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001613974927 1073004376 /nfs/dbraw/zinc/00/43/76/1073004376.db2.gz GDRJDVOGJMOGEA-UHFFFAOYSA-N 1 2 440.614 0.956 20 0 ICADLO CCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCCNc1cccc[nH+]1 ZINC001614015527 1073008707 /nfs/dbraw/zinc/00/87/07/1073008707.db2.gz PAZASZBMFNXDRC-UHFFFAOYSA-N 1 2 428.541 0.911 20 0 ICADLO CCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001614015631 1073008539 /nfs/dbraw/zinc/00/85/39/1073008539.db2.gz ULOQLEBAKNLNGG-UHFFFAOYSA-N 1 2 440.552 0.621 20 0 ICADLO CCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1Cc1c[nH+]ccc1OC ZINC001614015698 1073009302 /nfs/dbraw/zinc/00/93/02/1073009302.db2.gz WQONRXJGIPVTBO-UHFFFAOYSA-N 1 2 427.509 0.563 20 0 ICADLO CCc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001614018876 1073011424 /nfs/dbraw/zinc/01/14/24/1073011424.db2.gz IMYFHNKBWRXBLQ-UHFFFAOYSA-N 1 2 428.541 0.924 20 0 ICADLO CCc1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001614019110 1073011266 /nfs/dbraw/zinc/01/12/66/1073011266.db2.gz RMKRVNSABXNGEX-INIZCTEOSA-N 1 2 443.556 0.636 20 0 ICADLO CCc1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001614019110 1073011256 /nfs/dbraw/zinc/01/12/56/1073011256.db2.gz RMKRVNSABXNGEX-INIZCTEOSA-N 1 2 443.556 0.636 20 0 ICADLO CCc1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001614019111 1073011465 /nfs/dbraw/zinc/01/14/65/1073011465.db2.gz RMKRVNSABXNGEX-MRXNPFEDSA-N 1 2 443.556 0.636 20 0 ICADLO CCc1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001614019111 1073011454 /nfs/dbraw/zinc/01/14/54/1073011454.db2.gz RMKRVNSABXNGEX-MRXNPFEDSA-N 1 2 443.556 0.636 20 0 ICADLO CCc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001614019862 1073011501 /nfs/dbraw/zinc/01/15/01/1073011501.db2.gz SJLIOCKGYFYNJW-UHFFFAOYSA-N 1 2 434.589 0.635 20 0 ICADLO CCc1nnc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1CC(=O)N(C)CC ZINC001614024387 1073012494 /nfs/dbraw/zinc/01/24/94/1073012494.db2.gz DHMZVQAERDYHQN-UHFFFAOYSA-N 1 2 443.556 0.272 20 0 ICADLO CCc1nnc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1CC(=O)N(C)CC ZINC001614024387 1073012482 /nfs/dbraw/zinc/01/24/82/1073012482.db2.gz DHMZVQAERDYHQN-UHFFFAOYSA-N 1 2 443.556 0.272 20 0 ICADLO CCc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001614025406 1073012456 /nfs/dbraw/zinc/01/24/56/1073012456.db2.gz PJGKMQZTIHRBHF-KRWDZBQOSA-N 1 2 427.553 0.987 20 0 ICADLO CCc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001614025407 1073012284 /nfs/dbraw/zinc/01/22/84/1073012284.db2.gz PJGKMQZTIHRBHF-QGZVFWFLSA-N 1 2 427.553 0.987 20 0 ICADLO CCc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001614026024 1073012957 /nfs/dbraw/zinc/01/29/57/1073012957.db2.gz OJCOBIBSRUWVBK-UHFFFAOYSA-N 1 2 430.532 0.865 20 0 ICADLO CCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 ZINC001614028117 1073012880 /nfs/dbraw/zinc/01/28/80/1073012880.db2.gz RJADLZSCSXTPTQ-KRWDZBQOSA-N 1 2 428.541 0.760 20 0 ICADLO CCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 ZINC001614028118 1073012716 /nfs/dbraw/zinc/01/27/16/1073012716.db2.gz RJADLZSCSXTPTQ-QGZVFWFLSA-N 1 2 428.541 0.760 20 0 ICADLO CCc1nnc(N2CCN(CC(=O)N[C@H](C)CC)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001614031552 1073013855 /nfs/dbraw/zinc/01/38/55/1073013855.db2.gz DMROZBMUBJUTOX-GOSISDBHSA-N 1 2 448.616 0.041 20 0 ICADLO CCc1nnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001614031553 1073013705 /nfs/dbraw/zinc/01/37/05/1073013705.db2.gz DMROZBMUBJUTOX-SFHVURJKSA-N 1 2 448.616 0.041 20 0 ICADLO CCc1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001614034235 1073014698 /nfs/dbraw/zinc/01/46/98/1073014698.db2.gz GWOWJWFUUCSDJK-MRXNPFEDSA-N 1 2 437.570 0.883 20 0 ICADLO CCc1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1CCS(=O)(=O)NC ZINC001614034325 1073014627 /nfs/dbraw/zinc/01/46/27/1073014627.db2.gz JKWVGDAPTLSJFS-UHFFFAOYSA-N 1 2 440.545 0.860 20 0 ICADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CC(=O)NCC(F)F ZINC001614036555 1073014866 /nfs/dbraw/zinc/01/48/66/1073014866.db2.gz PIVSFMPXPIMBTD-INIZCTEOSA-N 1 2 443.543 0.453 20 0 ICADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC(=O)NCC(F)F ZINC001614036556 1073014944 /nfs/dbraw/zinc/01/49/44/1073014944.db2.gz PIVSFMPXPIMBTD-MRXNPFEDSA-N 1 2 443.543 0.453 20 0 ICADLO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1nc(C)n[nH]1 ZINC001614036614 1073014800 /nfs/dbraw/zinc/01/48/00/1073014800.db2.gz QUHQRGYRYPJWGJ-GOSISDBHSA-N 1 2 431.589 0.741 20 0 ICADLO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1nc(C)n[nH]1 ZINC001614036614 1073014790 /nfs/dbraw/zinc/01/47/90/1073014790.db2.gz QUHQRGYRYPJWGJ-GOSISDBHSA-N 1 2 431.589 0.741 20 0 ICADLO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1n[nH]c(C)n1 ZINC001614036614 1073014778 /nfs/dbraw/zinc/01/47/78/1073014778.db2.gz QUHQRGYRYPJWGJ-GOSISDBHSA-N 1 2 431.589 0.741 20 0 ICADLO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1n[nH]c(C)n1 ZINC001614036614 1073014766 /nfs/dbraw/zinc/01/47/66/1073014766.db2.gz QUHQRGYRYPJWGJ-GOSISDBHSA-N 1 2 431.589 0.741 20 0 ICADLO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1nc(C)n[nH]1 ZINC001614036615 1073015359 /nfs/dbraw/zinc/01/53/59/1073015359.db2.gz QUHQRGYRYPJWGJ-SFHVURJKSA-N 1 2 431.589 0.741 20 0 ICADLO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1nc(C)n[nH]1 ZINC001614036615 1073015347 /nfs/dbraw/zinc/01/53/47/1073015347.db2.gz QUHQRGYRYPJWGJ-SFHVURJKSA-N 1 2 431.589 0.741 20 0 ICADLO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1n[nH]c(C)n1 ZINC001614036615 1073015334 /nfs/dbraw/zinc/01/53/34/1073015334.db2.gz QUHQRGYRYPJWGJ-SFHVURJKSA-N 1 2 431.589 0.741 20 0 ICADLO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1n[nH]c(C)n1 ZINC001614036615 1073015321 /nfs/dbraw/zinc/01/53/21/1073015321.db2.gz QUHQRGYRYPJWGJ-SFHVURJKSA-N 1 2 431.589 0.741 20 0 ICADLO CCc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCCN(CC)S(C)(=O)=O ZINC001614036894 1073015207 /nfs/dbraw/zinc/01/52/07/1073015207.db2.gz ZRRMKLHABOBIQK-KRWDZBQOSA-N 1 2 428.603 0.813 20 0 ICADLO CCc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCCN(CC)S(C)(=O)=O ZINC001614036895 1073015417 /nfs/dbraw/zinc/01/54/17/1073015417.db2.gz ZRRMKLHABOBIQK-QGZVFWFLSA-N 1 2 428.603 0.813 20 0 ICADLO CCc1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001614036925 1073015281 /nfs/dbraw/zinc/01/52/81/1073015281.db2.gz AJEWVEHBLNCIHI-INIZCTEOSA-N 1 2 436.582 0.888 20 0 ICADLO CCc1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001614036925 1073015269 /nfs/dbraw/zinc/01/52/69/1073015269.db2.gz AJEWVEHBLNCIHI-INIZCTEOSA-N 1 2 436.582 0.888 20 0 ICADLO CCc1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001614036926 1073015160 /nfs/dbraw/zinc/01/51/60/1073015160.db2.gz AJEWVEHBLNCIHI-MRXNPFEDSA-N 1 2 436.582 0.888 20 0 ICADLO CCc1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001614036926 1073015151 /nfs/dbraw/zinc/01/51/51/1073015151.db2.gz AJEWVEHBLNCIHI-MRXNPFEDSA-N 1 2 436.582 0.888 20 0 ICADLO CCc1nnc(N2CC[NH+](CCOC)CC2)n1CCCN1C(=O)NC2(CCCC2)C1=O ZINC001614036989 1073015389 /nfs/dbraw/zinc/01/53/89/1073015389.db2.gz ATXXCPLPFGSUGX-UHFFFAOYSA-N 1 2 433.557 0.864 20 0 ICADLO CCc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC(=O)N1CCOCC1 ZINC001614037052 1073015182 /nfs/dbraw/zinc/01/51/82/1073015182.db2.gz CCHCLXZVWVXXJU-KDURUIRLSA-N 1 2 433.601 0.694 20 0 ICADLO CCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC(=O)N1CCOCC1 ZINC001614037052 1073015176 /nfs/dbraw/zinc/01/51/76/1073015176.db2.gz CCHCLXZVWVXXJU-KDURUIRLSA-N 1 2 433.601 0.694 20 0 ICADLO CCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CC(=O)N1CCOCC1 ZINC001614037053 1073015473 /nfs/dbraw/zinc/01/54/73/1073015473.db2.gz CCHCLXZVWVXXJU-OALUTQOASA-N 1 2 433.601 0.694 20 0 ICADLO CCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CC(=O)N1CCOCC1 ZINC001614037054 1073015405 /nfs/dbraw/zinc/01/54/05/1073015405.db2.gz CCHCLXZVWVXXJU-RTBURBONSA-N 1 2 433.601 0.694 20 0 ICADLO CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001614038907 1073016270 /nfs/dbraw/zinc/01/62/70/1073016270.db2.gz KQAVKUKPVLONRZ-IBGZPJMESA-N 1 2 448.593 0.996 20 0 ICADLO CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001614038908 1073016370 /nfs/dbraw/zinc/01/63/70/1073016370.db2.gz KQAVKUKPVLONRZ-LJQANCHMSA-N 1 2 448.593 0.996 20 0 ICADLO CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001614038927 1073016749 /nfs/dbraw/zinc/01/67/49/1073016749.db2.gz KWPDACYPZZKFBC-HNNXBMFYSA-N 1 2 449.585 0.423 20 0 ICADLO CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001614038927 1073016744 /nfs/dbraw/zinc/01/67/44/1073016744.db2.gz KWPDACYPZZKFBC-HNNXBMFYSA-N 1 2 449.585 0.423 20 0 ICADLO CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001614038928 1073016816 /nfs/dbraw/zinc/01/68/16/1073016816.db2.gz KWPDACYPZZKFBC-OAHLLOKOSA-N 1 2 449.585 0.423 20 0 ICADLO CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001614038928 1073016806 /nfs/dbraw/zinc/01/68/06/1073016806.db2.gz KWPDACYPZZKFBC-OAHLLOKOSA-N 1 2 449.585 0.423 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(Cc2cccnc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001614078104 1073024088 /nfs/dbraw/zinc/02/40/88/1073024088.db2.gz JYYGKOLVIFENOB-IBGZPJMESA-N 1 2 440.552 0.143 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2cccnc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001614078105 1073024207 /nfs/dbraw/zinc/02/42/07/1073024207.db2.gz JYYGKOLVIFENOB-LJQANCHMSA-N 1 2 440.552 0.143 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CC[N@H+]1CCOC[C@H]1C ZINC001614080924 1073025524 /nfs/dbraw/zinc/02/55/24/1073025524.db2.gz UBBYFRRCZMIAFU-MSOLQXFVSA-N 1 2 430.557 0.575 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001614080924 1073025514 /nfs/dbraw/zinc/02/55/14/1073025514.db2.gz UBBYFRRCZMIAFU-MSOLQXFVSA-N 1 2 430.557 0.575 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CC[N@H+]1CCOC[C@H]1C ZINC001614080925 1073025688 /nfs/dbraw/zinc/02/56/88/1073025688.db2.gz UBBYFRRCZMIAFU-QZTJIDSGSA-N 1 2 430.557 0.575 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001614080925 1073025680 /nfs/dbraw/zinc/02/56/80/1073025680.db2.gz UBBYFRRCZMIAFU-QZTJIDSGSA-N 1 2 430.557 0.575 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001614080926 1073025609 /nfs/dbraw/zinc/02/56/09/1073025609.db2.gz UBBYFRRCZMIAFU-ROUUACIJSA-N 1 2 430.557 0.575 20 0 ICADLO CC[C@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001614080926 1073025599 /nfs/dbraw/zinc/02/55/99/1073025599.db2.gz UBBYFRRCZMIAFU-ROUUACIJSA-N 1 2 430.557 0.575 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001614080927 1073025476 /nfs/dbraw/zinc/02/54/76/1073025476.db2.gz UBBYFRRCZMIAFU-ZWKOTPCHSA-N 1 2 430.557 0.575 20 0 ICADLO CC[C@@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001614080927 1073025469 /nfs/dbraw/zinc/02/54/69/1073025469.db2.gz UBBYFRRCZMIAFU-ZWKOTPCHSA-N 1 2 430.557 0.575 20 0 ICADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)CC[N@H+]1CCOC ZINC001614242765 1073033868 /nfs/dbraw/zinc/03/38/68/1073033868.db2.gz AFTXOQWIRNBIIC-CVEARBPZSA-N 1 2 429.587 0.498 20 0 ICADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)CC[N@@H+]1CCOC ZINC001614242765 1073033860 /nfs/dbraw/zinc/03/38/60/1073033860.db2.gz AFTXOQWIRNBIIC-CVEARBPZSA-N 1 2 429.587 0.498 20 0 ICADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)CC[N@H+]1CCOC ZINC001614242766 1073033968 /nfs/dbraw/zinc/03/39/68/1073033968.db2.gz AFTXOQWIRNBIIC-HOTGVXAUSA-N 1 2 429.587 0.498 20 0 ICADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)CC[N@@H+]1CCOC ZINC001614242766 1073033967 /nfs/dbraw/zinc/03/39/67/1073033967.db2.gz AFTXOQWIRNBIIC-HOTGVXAUSA-N 1 2 429.587 0.498 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)CC[N@H+]1CCOC ZINC001614242767 1073033784 /nfs/dbraw/zinc/03/37/84/1073033784.db2.gz AFTXOQWIRNBIIC-HZPDHXFCSA-N 1 2 429.587 0.498 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)CC[N@@H+]1CCOC ZINC001614242767 1073033774 /nfs/dbraw/zinc/03/37/74/1073033774.db2.gz AFTXOQWIRNBIIC-HZPDHXFCSA-N 1 2 429.587 0.498 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)CC[N@H+]1CCOC ZINC001614242768 1073033923 /nfs/dbraw/zinc/03/39/23/1073033923.db2.gz AFTXOQWIRNBIIC-JKSUJKDBSA-N 1 2 429.587 0.498 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)CC[N@@H+]1CCOC ZINC001614242768 1073033918 /nfs/dbraw/zinc/03/39/18/1073033918.db2.gz AFTXOQWIRNBIIC-JKSUJKDBSA-N 1 2 429.587 0.498 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001614243871 1073034716 /nfs/dbraw/zinc/03/47/16/1073034716.db2.gz ORCYDJJAJUPFPO-DLBZAZTESA-N 1 2 443.614 0.888 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(C)(C)O)CC[N@@H+]1CCOC ZINC001614243871 1073034709 /nfs/dbraw/zinc/03/47/09/1073034709.db2.gz ORCYDJJAJUPFPO-DLBZAZTESA-N 1 2 443.614 0.888 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001614243872 1073034583 /nfs/dbraw/zinc/03/45/83/1073034583.db2.gz ORCYDJJAJUPFPO-IAGOWNOFSA-N 1 2 443.614 0.888 20 0 ICADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(C)(C)O)CC[N@@H+]1CCOC ZINC001614243872 1073034576 /nfs/dbraw/zinc/03/45/76/1073034576.db2.gz ORCYDJJAJUPFPO-IAGOWNOFSA-N 1 2 443.614 0.888 20 0 ICADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001614243873 1073034819 /nfs/dbraw/zinc/03/48/19/1073034819.db2.gz ORCYDJJAJUPFPO-IRXDYDNUSA-N 1 2 443.614 0.888 20 0 ICADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(C)(C)O)CC[N@@H+]1CCOC ZINC001614243873 1073034812 /nfs/dbraw/zinc/03/48/12/1073034812.db2.gz ORCYDJJAJUPFPO-IRXDYDNUSA-N 1 2 443.614 0.888 20 0 ICADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001614243874 1073034760 /nfs/dbraw/zinc/03/47/60/1073034760.db2.gz ORCYDJJAJUPFPO-SJORKVTESA-N 1 2 443.614 0.888 20 0 ICADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(C)(C)O)CC[N@@H+]1CCOC ZINC001614243874 1073034751 /nfs/dbraw/zinc/03/47/51/1073034751.db2.gz ORCYDJJAJUPFPO-SJORKVTESA-N 1 2 443.614 0.888 20 0 ICADLO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001614249921 1073035054 /nfs/dbraw/zinc/03/50/54/1073035054.db2.gz KHIXSFRBQUYLGM-GOSISDBHSA-N 1 2 436.582 0.856 20 0 ICADLO 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CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001615103037 1073076266 /nfs/dbraw/zinc/07/62/66/1073076266.db2.gz ZVQAVSVMFOIVQC-QZTJIDSGSA-N 1 2 447.584 0.393 20 0 ICADLO CCN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001615103039 1073076186 /nfs/dbraw/zinc/07/61/86/1073076186.db2.gz ZVQAVSVMFOIVQC-ROUUACIJSA-N 1 2 447.584 0.393 20 0 ICADLO CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001615103041 1073076151 /nfs/dbraw/zinc/07/61/51/1073076151.db2.gz ZVQAVSVMFOIVQC-ZWKOTPCHSA-N 1 2 447.584 0.393 20 0 ICADLO CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001615119209 1073076650 /nfs/dbraw/zinc/07/66/50/1073076650.db2.gz CZRTVXBMSZDKPL-FQEVSTJZSA-N 1 2 447.628 0.940 20 0 ICADLO CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001615119210 1073076576 /nfs/dbraw/zinc/07/65/76/1073076576.db2.gz CZRTVXBMSZDKPL-HXUWFJFHSA-N 1 2 447.628 0.940 20 0 ICADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)CC1 ZINC001615222362 1073080354 /nfs/dbraw/zinc/08/03/54/1073080354.db2.gz CDALHOJVLCEJFP-UHFFFAOYSA-N 1 2 428.580 0.436 20 0 ICADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)CC1 ZINC001615222362 1073080348 /nfs/dbraw/zinc/08/03/48/1073080348.db2.gz CDALHOJVLCEJFP-UHFFFAOYSA-N 1 2 428.580 0.436 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2ncn(C)n2)CC1 ZINC001615328781 1073086150 /nfs/dbraw/zinc/08/61/50/1073086150.db2.gz MBFJFFABQVJMGC-UHFFFAOYSA-N 1 2 438.540 0.507 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001615329592 1073086099 /nfs/dbraw/zinc/08/60/99/1073086099.db2.gz HGCJQSXOWIGVHM-HTAPYJJXSA-N 1 2 445.568 0.804 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001615329593 1073085890 /nfs/dbraw/zinc/08/58/90/1073085890.db2.gz HGCJQSXOWIGVHM-JTSKRJEESA-N 1 2 445.568 0.804 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001615329594 1073085922 /nfs/dbraw/zinc/08/59/22/1073085922.db2.gz HGCJQSXOWIGVHM-VGOFRKELSA-N 1 2 445.568 0.804 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001615329595 1073086054 /nfs/dbraw/zinc/08/60/54/1073086054.db2.gz HGCJQSXOWIGVHM-VGSWGCGISA-N 1 2 445.568 0.804 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2COCCO2)CC1 ZINC001615330137 1073086588 /nfs/dbraw/zinc/08/65/88/1073086588.db2.gz PCPYSOIISXCAAI-KRWDZBQOSA-N 1 2 431.541 0.679 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCC2)CC1 ZINC001615330179 1073086421 /nfs/dbraw/zinc/08/64/21/1073086421.db2.gz QEIBKZDWHBIVBG-UHFFFAOYSA-N 1 2 428.541 0.641 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CC(=O)NC(C)C)CC1 ZINC001615330231 1073086351 /nfs/dbraw/zinc/08/63/51/1073086351.db2.gz RQNHIWSKYJANNE-UHFFFAOYSA-N 1 2 442.568 0.855 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(C)COC2)CC1 ZINC001615330434 1073086450 /nfs/dbraw/zinc/08/64/50/1073086450.db2.gz YHWQZAQREMYOCA-UHFFFAOYSA-N 1 2 430.557 0.706 20 0 ICADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NC(C)C)CC1 ZINC001615330447 1073086292 /nfs/dbraw/zinc/08/62/92/1073086292.db2.gz YQSCLEHMBJBOCC-UHFFFAOYSA-N 1 2 445.572 0.194 20 0 ICADLO CCN(CC)C(=O)CN1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001615331641 1073086984 /nfs/dbraw/zinc/08/69/84/1073086984.db2.gz PGPDRMCCHCFYJR-IBGZPJMESA-N 1 2 447.628 0.942 20 0 ICADLO CCN(CC)C(=O)CN1CCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001615331641 1073086973 /nfs/dbraw/zinc/08/69/73/1073086973.db2.gz PGPDRMCCHCFYJR-IBGZPJMESA-N 1 2 447.628 0.942 20 0 ICADLO CCN(CC)C(=O)CN1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001615331644 1073086862 /nfs/dbraw/zinc/08/68/62/1073086862.db2.gz PGPDRMCCHCFYJR-LJQANCHMSA-N 1 2 447.628 0.942 20 0 ICADLO CCN(CC)C(=O)CN1CCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001615331644 1073086848 /nfs/dbraw/zinc/08/68/48/1073086848.db2.gz PGPDRMCCHCFYJR-LJQANCHMSA-N 1 2 447.628 0.942 20 0 ICADLO CCOC(=O)C[C@H](O)C[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001615342802 1073087800 /nfs/dbraw/zinc/08/78/00/1073087800.db2.gz KRPSKOGNSIGRFO-HNNXBMFYSA-N 1 2 428.507 0.468 20 0 ICADLO CCOC(=O)C[C@H](O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001615342802 1073087791 /nfs/dbraw/zinc/08/77/91/1073087791.db2.gz KRPSKOGNSIGRFO-HNNXBMFYSA-N 1 2 428.507 0.468 20 0 ICADLO CCOC(=O)C[C@@H](O)C[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001615342803 1073087720 /nfs/dbraw/zinc/08/77/20/1073087720.db2.gz KRPSKOGNSIGRFO-OAHLLOKOSA-N 1 2 428.507 0.468 20 0 ICADLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001615342803 1073087708 /nfs/dbraw/zinc/08/77/08/1073087708.db2.gz KRPSKOGNSIGRFO-OAHLLOKOSA-N 1 2 428.507 0.468 20 0 ICADLO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 ZINC001615358585 1073088025 /nfs/dbraw/zinc/08/80/25/1073088025.db2.gz UHJWZJMEFLUGDG-GJZGRUSLSA-N 1 2 433.600 0.145 20 0 ICADLO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 ZINC001615358586 1073088109 /nfs/dbraw/zinc/08/81/09/1073088109.db2.gz UHJWZJMEFLUGDG-LSDHHAIUSA-N 1 2 433.600 0.145 20 0 ICADLO CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001615394398 1073089070 /nfs/dbraw/zinc/08/90/70/1073089070.db2.gz GSTPQBGADJWHJX-INIZCTEOSA-N 1 2 437.570 0.967 20 0 ICADLO CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001615394399 1073088999 /nfs/dbraw/zinc/08/89/99/1073088999.db2.gz GSTPQBGADJWHJX-MRXNPFEDSA-N 1 2 437.570 0.967 20 0 ICADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001615397333 1073089161 /nfs/dbraw/zinc/08/91/61/1073089161.db2.gz GJIIEFUWJVJWEA-INIZCTEOSA-N 1 2 442.582 0.945 20 0 ICADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001615397334 1073089125 /nfs/dbraw/zinc/08/91/25/1073089125.db2.gz GJIIEFUWJVJWEA-MRXNPFEDSA-N 1 2 442.582 0.945 20 0 ICADLO CCN(CC1CC1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001615523949 1073094666 /nfs/dbraw/zinc/09/46/66/1073094666.db2.gz UNEGVUNTGZLFEX-HNNXBMFYSA-N 1 2 441.602 0.289 20 0 ICADLO CCN(CC1CC1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001615523957 1073094692 /nfs/dbraw/zinc/09/46/92/1073094692.db2.gz UNEGVUNTGZLFEX-OAHLLOKOSA-N 1 2 441.602 0.289 20 0 ICADLO COC(=O)CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC[NH+]1CCOCC1 ZINC001615577954 1073095828 /nfs/dbraw/zinc/09/58/28/1073095828.db2.gz MWVXGIUVSZPRJN-UHFFFAOYSA-N 1 2 426.901 0.575 20 0 ICADLO COC(=O)CN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CC[NH+]1CCOCC1 ZINC001615578042 1073095933 /nfs/dbraw/zinc/09/59/33/1073095933.db2.gz NIQNLYNJRDQMIU-UHFFFAOYSA-N 1 2 442.557 0.263 20 0 ICADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001615621669 1073096582 /nfs/dbraw/zinc/09/65/82/1073096582.db2.gz KYVLXQCVEUGVDW-UHFFFAOYSA-N 1 2 446.474 0.341 20 0 ICADLO CCN(CCS(C)(=O)=O)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCCC1 ZINC001615663646 1073101686 /nfs/dbraw/zinc/10/16/86/1073101686.db2.gz OIGQRXJZEORVRC-UHFFFAOYSA-N 1 2 435.554 0.892 20 0 ICADLO CCN(CCS(C)(=O)=O)c1nnc(-c2cnccn2)n1CC[NH+]1CCSCC1 ZINC001615668087 1073102242 /nfs/dbraw/zinc/10/22/42/1073102242.db2.gz YFKZCWMZZCPWOQ-UHFFFAOYSA-N 1 2 425.584 0.655 20 0 ICADLO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001615692499 1073110185 /nfs/dbraw/zinc/11/01/85/1073110185.db2.gz LCXVAPGSBULSMX-HNNXBMFYSA-N 1 2 437.522 0.127 20 0 ICADLO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001615692508 1073110682 /nfs/dbraw/zinc/11/06/82/1073110682.db2.gz LCXVAPGSBULSMX-OAHLLOKOSA-N 1 2 437.522 0.127 20 0 ICADLO CCn1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)cn1 ZINC001615693122 1073110635 /nfs/dbraw/zinc/11/06/35/1073110635.db2.gz IONFJJRPGYHFIB-GOSISDBHSA-N 1 2 443.556 0.246 20 0 ICADLO CCn1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)cn1 ZINC001615693125 1073110668 /nfs/dbraw/zinc/11/06/68/1073110668.db2.gz IONFJJRPGYHFIB-SFHVURJKSA-N 1 2 443.556 0.246 20 0 ICADLO CCn1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[NH+]2CCOCC2)c1=O ZINC001615726269 1073112368 /nfs/dbraw/zinc/11/23/68/1073112368.db2.gz MTLYMPWABFMQJQ-UHFFFAOYSA-N 1 2 443.552 0.512 20 0 ICADLO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC001615730509 1073113542 /nfs/dbraw/zinc/11/35/42/1073113542.db2.gz YVBTVBABPFLUOE-KRWDZBQOSA-N 1 2 448.520 0.886 20 0 ICADLO CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC001615747299 1073115211 /nfs/dbraw/zinc/11/52/11/1073115211.db2.gz HKZLZTMGQOTKRV-UHFFFAOYSA-N 1 2 432.521 0.525 20 0 ICADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC2)cc1 ZINC001615747924 1073115071 /nfs/dbraw/zinc/11/50/71/1073115071.db2.gz QWPCJNSYDJYUOE-UHFFFAOYSA-N 1 2 449.508 0.328 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001615768617 1073116987 /nfs/dbraw/zinc/11/69/87/1073116987.db2.gz OMHGSJZSJAUGTI-GXAQHZSOSA-N 1 2 441.598 0.639 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001615768617 1073116981 /nfs/dbraw/zinc/11/69/81/1073116981.db2.gz OMHGSJZSJAUGTI-GXAQHZSOSA-N 1 2 441.598 0.639 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001615768618 1073116801 /nfs/dbraw/zinc/11/68/01/1073116801.db2.gz OMHGSJZSJAUGTI-QRXRQMIZSA-N 1 2 441.598 0.639 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001615768618 1073116794 /nfs/dbraw/zinc/11/67/94/1073116794.db2.gz OMHGSJZSJAUGTI-QRXRQMIZSA-N 1 2 441.598 0.639 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001615768619 1073116954 /nfs/dbraw/zinc/11/69/54/1073116954.db2.gz OMHGSJZSJAUGTI-RXBWTVHKSA-N 1 2 441.598 0.639 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001615768619 1073116952 /nfs/dbraw/zinc/11/69/52/1073116952.db2.gz OMHGSJZSJAUGTI-RXBWTVHKSA-N 1 2 441.598 0.639 20 0 ICADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001615768621 1073116973 /nfs/dbraw/zinc/11/69/73/1073116973.db2.gz OMHGSJZSJAUGTI-YNIGFRRXSA-N 1 2 441.598 0.639 20 0 ICADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001615768621 1073116968 /nfs/dbraw/zinc/11/69/68/1073116968.db2.gz OMHGSJZSJAUGTI-YNIGFRRXSA-N 1 2 441.598 0.639 20 0 ICADLO CCn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001615770208 1073117760 /nfs/dbraw/zinc/11/77/60/1073117760.db2.gz YIHLQEBRGGTLQS-HRCADAONSA-N 1 2 436.586 0.759 20 0 ICADLO CCn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001615770208 1073117756 /nfs/dbraw/zinc/11/77/56/1073117756.db2.gz YIHLQEBRGGTLQS-HRCADAONSA-N 1 2 436.586 0.759 20 0 ICADLO CCn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001615770210 1073117820 /nfs/dbraw/zinc/11/78/20/1073117820.db2.gz YIHLQEBRGGTLQS-JYJNAYRXSA-N 1 2 436.586 0.759 20 0 ICADLO CCn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001615770210 1073117816 /nfs/dbraw/zinc/11/78/16/1073117816.db2.gz YIHLQEBRGGTLQS-JYJNAYRXSA-N 1 2 436.586 0.759 20 0 ICADLO CCn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001615770211 1073117750 /nfs/dbraw/zinc/11/77/50/1073117750.db2.gz YIHLQEBRGGTLQS-OWCLPIDISA-N 1 2 436.586 0.759 20 0 ICADLO CCn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001615770211 1073117747 /nfs/dbraw/zinc/11/77/47/1073117747.db2.gz YIHLQEBRGGTLQS-OWCLPIDISA-N 1 2 436.586 0.759 20 0 ICADLO CCn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001615770212 1073117688 /nfs/dbraw/zinc/11/76/88/1073117688.db2.gz YIHLQEBRGGTLQS-PMPSAXMXSA-N 1 2 436.586 0.759 20 0 ICADLO CCn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001615770212 1073117685 /nfs/dbraw/zinc/11/76/85/1073117685.db2.gz YIHLQEBRGGTLQS-PMPSAXMXSA-N 1 2 436.586 0.759 20 0 ICADLO COc1ccc(C(=O)N2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)c(OC)c1OC ZINC001615791655 1073119696 /nfs/dbraw/zinc/11/96/96/1073119696.db2.gz LRCUSRHTNRRKKY-HSZRJFAPSA-N 1 2 443.500 0.843 20 0 ICADLO COc1ccc(C(=O)N2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)c(OC)c1OC ZINC001615791656 1073119626 /nfs/dbraw/zinc/11/96/26/1073119626.db2.gz LRCUSRHTNRRKKY-QHCPKHFHSA-N 1 2 443.500 0.843 20 0 ICADLO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001615792986 1073120357 /nfs/dbraw/zinc/12/03/57/1073120357.db2.gz 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CCOCc1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001616673714 1073221042 /nfs/dbraw/zinc/22/10/42/1073221042.db2.gz YIQNGVOSCUREFX-UHFFFAOYSA-N 1 2 437.589 0.136 20 0 ICADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001616675619 1073220976 /nfs/dbraw/zinc/22/09/76/1073220976.db2.gz ZLHZTCYZIZRNNT-KRWDZBQOSA-N 1 2 434.518 0.614 20 0 ICADLO CCOCc1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001616675681 1073221067 /nfs/dbraw/zinc/22/10/67/1073221067.db2.gz CDSJXRSMYIHQGU-UHFFFAOYSA-N 1 2 432.573 0.965 20 0 ICADLO CCOCc1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cccc(N2CCOCC2)n1 ZINC001616707128 1073221903 /nfs/dbraw/zinc/22/19/03/1073221903.db2.gz BZMLXPFGQKXTCB-UHFFFAOYSA-N 1 2 445.568 0.863 20 0 ICADLO CCOCc1nnc(N(C)CCS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001616708655 1073221913 /nfs/dbraw/zinc/22/19/13/1073221913.db2.gz BHZIEWVZDCLKPA-UHFFFAOYSA-N 1 2 438.554 0.575 20 0 ICADLO CCOCc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001616721018 1073222601 /nfs/dbraw/zinc/22/26/01/1073222601.db2.gz OASHNNZORXDABM-INIZCTEOSA-N 1 2 429.525 0.761 20 0 ICADLO CCOCc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001616721020 1073222592 /nfs/dbraw/zinc/22/25/92/1073222592.db2.gz OASHNNZORXDABM-MRXNPFEDSA-N 1 2 429.525 0.761 20 0 ICADLO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c(=O)n(C)c1=O ZINC001616764080 1073225358 /nfs/dbraw/zinc/22/53/58/1073225358.db2.gz OOGNAEFZJSUSQE-KRWDZBQOSA-N 1 2 441.532 0.921 20 0 ICADLO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c(=O)n(C)c1=O ZINC001616764081 1073225574 /nfs/dbraw/zinc/22/55/74/1073225574.db2.gz OOGNAEFZJSUSQE-QGZVFWFLSA-N 1 2 441.532 0.921 20 0 ICADLO CCOCc1nnc(N2CCC(Cn3cncn3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001616788215 1073226349 /nfs/dbraw/zinc/22/63/49/1073226349.db2.gz KJYKBAPDAPMLBL-UHFFFAOYSA-N 1 2 445.572 0.487 20 0 ICADLO CCOCc1nnc(N2CCC(N3CCNC3=O)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001616802636 1073227105 /nfs/dbraw/zinc/22/71/05/1073227105.db2.gz DFSCHRFHCFDAOK-UHFFFAOYSA-N 1 2 448.616 0.835 20 0 ICADLO CCOCc1nnc(N2CCC(N3CCNC3=O)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001616802636 1073227100 /nfs/dbraw/zinc/22/71/00/1073227100.db2.gz DFSCHRFHCFDAOK-UHFFFAOYSA-N 1 2 448.616 0.835 20 0 ICADLO CCOCc1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001616816258 1073228538 /nfs/dbraw/zinc/22/85/38/1073228538.db2.gz URZKGCOFPPXJGM-UHFFFAOYSA-N 1 2 437.589 0.311 20 0 ICADLO CCOCc1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001616816258 1073228532 /nfs/dbraw/zinc/22/85/32/1073228532.db2.gz URZKGCOFPPXJGM-UHFFFAOYSA-N 1 2 437.589 0.311 20 0 ICADLO CCOCc1nnc(N2CCC3(COC(=O)N3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001616819385 1073228497 /nfs/dbraw/zinc/22/84/97/1073228497.db2.gz RQASJTFQAADALV-UHFFFAOYSA-N 1 2 435.529 0.058 20 0 ICADLO CCOCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCc1nc(C)n[nH]1 ZINC001616883396 1073231978 /nfs/dbraw/zinc/23/19/78/1073231978.db2.gz LLHZTEVEDHEAHN-UHFFFAOYSA-N 1 2 445.572 0.618 20 0 ICADLO CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCc1nc(C)n[nH]1 ZINC001616883396 1073231970 /nfs/dbraw/zinc/23/19/70/1073231970.db2.gz LLHZTEVEDHEAHN-UHFFFAOYSA-N 1 2 445.572 0.618 20 0 ICADLO CCOCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCc1n[nH]c(C)n1 ZINC001616883396 1073231964 /nfs/dbraw/zinc/23/19/64/1073231964.db2.gz LLHZTEVEDHEAHN-UHFFFAOYSA-N 1 2 445.572 0.618 20 0 ICADLO CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCc1n[nH]c(C)n1 ZINC001616883396 1073231956 /nfs/dbraw/zinc/23/19/56/1073231956.db2.gz LLHZTEVEDHEAHN-UHFFFAOYSA-N 1 2 445.572 0.618 20 0 ICADLO CCOCc1nnc(N2CCN(C(=O)OCC)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001616903945 1073235620 /nfs/dbraw/zinc/23/56/20/1073235620.db2.gz MZPNNSOVIDWYIH-UHFFFAOYSA-N 1 2 437.545 0.257 20 0 ICADLO CCOCc1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001616904879 1073236113 /nfs/dbraw/zinc/23/61/13/1073236113.db2.gz XSCUCYNNECIMSH-UHFFFAOYSA-N 1 2 445.524 0.983 20 0 ICADLO CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001616906307 1073236048 /nfs/dbraw/zinc/23/60/48/1073236048.db2.gz BHBZDUAKTCXPDK-MSOLQXFVSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001616906316 1073236326 /nfs/dbraw/zinc/23/63/26/1073236326.db2.gz BHBZDUAKTCXPDK-QZTJIDSGSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001616906317 1073236125 /nfs/dbraw/zinc/23/61/25/1073236125.db2.gz BHBZDUAKTCXPDK-ROUUACIJSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001616906318 1073236197 /nfs/dbraw/zinc/23/61/97/1073236197.db2.gz BHBZDUAKTCXPDK-ZWKOTPCHSA-N 1 2 449.600 0.324 20 0 ICADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1nncn1CC ZINC001616907775 1073236743 /nfs/dbraw/zinc/23/67/43/1073236743.db2.gz UVWCXJNOKOMCPT-KRWDZBQOSA-N 1 2 445.572 0.607 20 0 ICADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1nncn1CC ZINC001616907776 1073236773 /nfs/dbraw/zinc/23/67/73/1073236773.db2.gz UVWCXJNOKOMCPT-QGZVFWFLSA-N 1 2 445.572 0.607 20 0 ICADLO CCOCc1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001616910093 1073236788 /nfs/dbraw/zinc/23/67/88/1073236788.db2.gz BPJWDYZDBBOEAU-IBGZPJMESA-N 1 2 428.537 0.994 20 0 ICADLO CCOCc1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001616910093 1073236785 /nfs/dbraw/zinc/23/67/85/1073236785.db2.gz BPJWDYZDBBOEAU-IBGZPJMESA-N 1 2 428.537 0.994 20 0 ICADLO CCOCc1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001616910101 1073236670 /nfs/dbraw/zinc/23/66/70/1073236670.db2.gz BPJWDYZDBBOEAU-LJQANCHMSA-N 1 2 428.537 0.994 20 0 ICADLO CCOCc1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001616910101 1073236662 /nfs/dbraw/zinc/23/66/62/1073236662.db2.gz BPJWDYZDBBOEAU-LJQANCHMSA-N 1 2 428.537 0.994 20 0 ICADLO CCOCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001616910593 1073236636 /nfs/dbraw/zinc/23/66/36/1073236636.db2.gz HHPXWHPWHDSHMG-INIZCTEOSA-N 1 2 429.525 0.761 20 0 ICADLO CCOCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001616910596 1073236800 /nfs/dbraw/zinc/23/68/00/1073236800.db2.gz HHPXWHPWHDSHMG-MRXNPFEDSA-N 1 2 429.525 0.761 20 0 ICADLO CCOCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001616917011 1073237588 /nfs/dbraw/zinc/23/75/88/1073237588.db2.gz IVCCTVTZOKESLD-QGZVFWFLSA-N 1 2 449.581 0.960 20 0 ICADLO CCOCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCC(=O)N1CCOCC1 ZINC001616918087 1073237479 /nfs/dbraw/zinc/23/74/79/1073237479.db2.gz UIXKJEYCXYVDBI-UHFFFAOYSA-N 1 2 429.525 0.785 20 0 ICADLO CCOCc1nnc(N2CCN(c3cnn(C)c3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001616918257 1073237679 /nfs/dbraw/zinc/23/76/79/1073237679.db2.gz WDVFULFPAWLDKZ-IBGZPJMESA-N 1 2 445.616 0.901 20 0 ICADLO CCOCc1nnc(N2CCN(c3cnn(C)c3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001616918262 1073237650 /nfs/dbraw/zinc/23/76/50/1073237650.db2.gz WDVFULFPAWLDKZ-LJQANCHMSA-N 1 2 445.616 0.901 20 0 ICADLO CCOCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001616921493 1073237985 /nfs/dbraw/zinc/23/79/85/1073237985.db2.gz WQKVHXBTPTVYBY-UHFFFAOYSA-N 1 2 440.512 0.393 20 0 ICADLO CCOCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001616928927 1073239449 /nfs/dbraw/zinc/23/94/49/1073239449.db2.gz GDBGZLSYDZTCMS-UHFFFAOYSA-N 1 2 449.600 0.326 20 0 ICADLO CCOCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001616929887 1073239835 /nfs/dbraw/zinc/23/98/35/1073239835.db2.gz UBVXEZBUVNECJM-GOSISDBHSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001616929887 1073239830 /nfs/dbraw/zinc/23/98/30/1073239830.db2.gz UBVXEZBUVNECJM-GOSISDBHSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001616929888 1073239918 /nfs/dbraw/zinc/23/99/18/1073239918.db2.gz UBVXEZBUVNECJM-SFHVURJKSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001616929888 1073239910 /nfs/dbraw/zinc/23/99/10/1073239910.db2.gz UBVXEZBUVNECJM-SFHVURJKSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001616930850 1073239864 /nfs/dbraw/zinc/23/98/64/1073239864.db2.gz ITILNFHHCVMXGH-UHFFFAOYSA-N 1 2 435.573 0.283 20 0 ICADLO CCOCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1Cc1c[nH+]ccc1OC ZINC001616931667 1073240233 /nfs/dbraw/zinc/24/02/33/1073240233.db2.gz PAIMRJJIRYMOTM-UHFFFAOYSA-N 1 2 429.525 0.667 20 0 ICADLO CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001616941959 1073240752 /nfs/dbraw/zinc/24/07/52/1073240752.db2.gz ZENYWXQWNQTGGD-KRWDZBQOSA-N 1 2 441.598 0.940 20 0 ICADLO CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001616941960 1073240947 /nfs/dbraw/zinc/24/09/47/1073240947.db2.gz ZENYWXQWNQTGGD-QGZVFWFLSA-N 1 2 441.598 0.940 20 0 ICADLO CCOCc1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001616941988 1073240797 /nfs/dbraw/zinc/24/07/97/1073240797.db2.gz ZOFWAVHFFATNII-DLBZAZTESA-N 1 2 429.587 0.796 20 0 ICADLO CCOCc1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001616941988 1073240788 /nfs/dbraw/zinc/24/07/88/1073240788.db2.gz ZOFWAVHFFATNII-DLBZAZTESA-N 1 2 429.587 0.796 20 0 ICADLO CCOCc1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001616941989 1073240930 /nfs/dbraw/zinc/24/09/30/1073240930.db2.gz ZOFWAVHFFATNII-IAGOWNOFSA-N 1 2 429.587 0.796 20 0 ICADLO CCOCc1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001616941989 1073240924 /nfs/dbraw/zinc/24/09/24/1073240924.db2.gz ZOFWAVHFFATNII-IAGOWNOFSA-N 1 2 429.587 0.796 20 0 ICADLO CCOCc1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001616941990 1073240913 /nfs/dbraw/zinc/24/09/13/1073240913.db2.gz ZOFWAVHFFATNII-IRXDYDNUSA-N 1 2 429.587 0.796 20 0 ICADLO CCOCc1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001616941990 1073240908 /nfs/dbraw/zinc/24/09/08/1073240908.db2.gz ZOFWAVHFFATNII-IRXDYDNUSA-N 1 2 429.587 0.796 20 0 ICADLO CCOCc1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001616941991 1073240823 /nfs/dbraw/zinc/24/08/23/1073240823.db2.gz ZOFWAVHFFATNII-SJORKVTESA-N 1 2 429.587 0.796 20 0 ICADLO CCOCc1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001616941991 1073240815 /nfs/dbraw/zinc/24/08/15/1073240815.db2.gz ZOFWAVHFFATNII-SJORKVTESA-N 1 2 429.587 0.796 20 0 ICADLO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001616946006 1073242539 /nfs/dbraw/zinc/24/25/39/1073242539.db2.gz BNKPIJWXTIXFNH-MSOLQXFVSA-N 1 2 434.589 0.397 20 0 ICADLO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001616946009 1073242425 /nfs/dbraw/zinc/24/24/25/1073242425.db2.gz BNKPIJWXTIXFNH-QZTJIDSGSA-N 1 2 434.589 0.397 20 0 ICADLO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001616946013 1073242450 /nfs/dbraw/zinc/24/24/50/1073242450.db2.gz BNKPIJWXTIXFNH-ROUUACIJSA-N 1 2 434.589 0.397 20 0 ICADLO CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001616946018 1073242559 /nfs/dbraw/zinc/24/25/59/1073242559.db2.gz BNKPIJWXTIXFNH-ZWKOTPCHSA-N 1 2 434.589 0.397 20 0 ICADLO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001616947952 1073242875 /nfs/dbraw/zinc/24/28/75/1073242875.db2.gz HVEGZTUELWDXNH-CVEARBPZSA-N 1 2 435.529 0.008 20 0 ICADLO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001616947962 1073243040 /nfs/dbraw/zinc/24/30/40/1073243040.db2.gz HVEGZTUELWDXNH-HOTGVXAUSA-N 1 2 435.529 0.008 20 0 ICADLO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001616947966 1073242971 /nfs/dbraw/zinc/24/29/71/1073242971.db2.gz HVEGZTUELWDXNH-HZPDHXFCSA-N 1 2 435.529 0.008 20 0 ICADLO CCOCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001616947968 1073243027 /nfs/dbraw/zinc/24/30/27/1073243027.db2.gz HVEGZTUELWDXNH-JKSUJKDBSA-N 1 2 435.529 0.008 20 0 ICADLO CCOCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001616949583 1073243821 /nfs/dbraw/zinc/24/38/21/1073243821.db2.gz AEJIGODGNBXZHA-HNNXBMFYSA-N 1 2 434.463 0.746 20 0 ICADLO CCOCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001616949584 1073243854 /nfs/dbraw/zinc/24/38/54/1073243854.db2.gz AEJIGODGNBXZHA-OAHLLOKOSA-N 1 2 434.463 0.746 20 0 ICADLO CCOCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001616967484 1073244696 /nfs/dbraw/zinc/24/46/96/1073244696.db2.gz FTOGDWRZFJGJTA-HKUYNNGSSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001616967485 1073244797 /nfs/dbraw/zinc/24/47/97/1073244797.db2.gz FTOGDWRZFJGJTA-IEBWSBKVSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001616967486 1073244726 /nfs/dbraw/zinc/24/47/26/1073244726.db2.gz FTOGDWRZFJGJTA-MJGOQNOKSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001616967487 1073244635 /nfs/dbraw/zinc/24/46/35/1073244635.db2.gz FTOGDWRZFJGJTA-PKOBYXMFSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001616970079 1073245258 /nfs/dbraw/zinc/24/52/58/1073245258.db2.gz XBPPLGPJKZWXLY-GOSISDBHSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001616970079 1073245253 /nfs/dbraw/zinc/24/52/53/1073245253.db2.gz XBPPLGPJKZWXLY-GOSISDBHSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001616970080 1073245538 /nfs/dbraw/zinc/24/55/38/1073245538.db2.gz XBPPLGPJKZWXLY-SFHVURJKSA-N 1 2 437.589 0.182 20 0 ICADLO CCOCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001616970080 1073245535 /nfs/dbraw/zinc/24/55/35/1073245535.db2.gz XBPPLGPJKZWXLY-SFHVURJKSA-N 1 2 437.589 0.182 20 0 ICADLO O=C(NCCN1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1)c1ccccc1F ZINC001616970688 1073245487 /nfs/dbraw/zinc/24/54/87/1073245487.db2.gz XLSSEPOMHSXYCE-NQIIRXRSSA-N 1 2 448.539 0.580 20 0 ICADLO CCOCc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001616981492 1073246047 /nfs/dbraw/zinc/24/60/47/1073246047.db2.gz VNERSNRANVBOJC-OTWHNJEPSA-N 1 2 433.601 0.803 20 0 ICADLO CCOCc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001616981497 1073246003 /nfs/dbraw/zinc/24/60/03/1073246003.db2.gz VNERSNRANVBOJC-QRVBRYPASA-N 1 2 433.601 0.803 20 0 ICADLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001617123517 1073252278 /nfs/dbraw/zinc/25/22/78/1073252278.db2.gz WFVAJHUJAPFPHM-INIZCTEOSA-N 1 2 441.573 0.548 20 0 ICADLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001617123517 1073252272 /nfs/dbraw/zinc/25/22/72/1073252272.db2.gz WFVAJHUJAPFPHM-INIZCTEOSA-N 1 2 441.573 0.548 20 0 ICADLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001617123518 1073252469 /nfs/dbraw/zinc/25/24/69/1073252469.db2.gz WFVAJHUJAPFPHM-MRXNPFEDSA-N 1 2 441.573 0.548 20 0 ICADLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001617123518 1073252458 /nfs/dbraw/zinc/25/24/58/1073252458.db2.gz WFVAJHUJAPFPHM-MRXNPFEDSA-N 1 2 441.573 0.548 20 0 ICADLO CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001617221997 1073260708 /nfs/dbraw/zinc/26/07/08/1073260708.db2.gz CQUWVNCQUSHANM-UHFFFAOYSA-N 1 2 446.600 0.948 20 0 ICADLO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001617223633 1073261508 /nfs/dbraw/zinc/26/15/08/1073261508.db2.gz ZAIMPAOOSNTIOE-BEIWTESXSA-N 1 2 438.598 0.689 20 0 ICADLO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001617223634 1073261671 /nfs/dbraw/zinc/26/16/71/1073261671.db2.gz ZAIMPAOOSNTIOE-DFYVNMARSA-N 1 2 438.598 0.689 20 0 ICADLO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001617223635 1073261731 /nfs/dbraw/zinc/26/17/31/1073261731.db2.gz ZAIMPAOOSNTIOE-JTBPQFFMSA-N 1 2 438.598 0.689 20 0 ICADLO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001617223636 1073261706 /nfs/dbraw/zinc/26/17/06/1073261706.db2.gz ZAIMPAOOSNTIOE-XHDOVSQSSA-N 1 2 438.598 0.689 20 0 ICADLO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC2([S@](C)=O)CC2)CC1 ZINC001617227314 1073261621 /nfs/dbraw/zinc/26/16/21/1073261621.db2.gz DMCGNAAPJZZDEV-PMERELPUSA-N 1 2 438.598 0.470 20 0 ICADLO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC2([S@@](C)=O)CC2)CC1 ZINC001617227317 1073261402 /nfs/dbraw/zinc/26/14/02/1073261402.db2.gz DMCGNAAPJZZDEV-SSEXGKCCSA-N 1 2 438.598 0.470 20 0 ICADLO CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCC1 ZINC001617299162 1073271242 /nfs/dbraw/zinc/27/12/42/1073271242.db2.gz OFKLCPJIIIRPPQ-INIZCTEOSA-N 1 2 447.627 0.537 20 0 ICADLO CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCC1 ZINC001617299164 1073271106 /nfs/dbraw/zinc/27/11/06/1073271106.db2.gz OFKLCPJIIIRPPQ-MRXNPFEDSA-N 1 2 447.627 0.537 20 0 ICADLO CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001617306935 1073273946 /nfs/dbraw/zinc/27/39/46/1073273946.db2.gz MLHSBYLAGLJCKD-UHFFFAOYSA-N 1 2 435.554 0.891 20 0 ICADLO CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001617321548 1073277416 /nfs/dbraw/zinc/27/74/16/1073277416.db2.gz WKMZUVPSEGNKRV-HNNXBMFYSA-N 1 2 433.538 0.386 20 0 ICADLO CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001617321549 1073277301 /nfs/dbraw/zinc/27/73/01/1073277301.db2.gz WKMZUVPSEGNKRV-OAHLLOKOSA-N 1 2 433.538 0.386 20 0 ICADLO CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617335069 1073279962 /nfs/dbraw/zinc/27/99/62/1073279962.db2.gz NRNWNVFDJBJGOS-DLBZAZTESA-N 1 2 427.571 0.723 20 0 ICADLO CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617335071 1073279939 /nfs/dbraw/zinc/27/99/39/1073279939.db2.gz NRNWNVFDJBJGOS-IAGOWNOFSA-N 1 2 427.571 0.723 20 0 ICADLO CCS(=O)(=O)NC1CCN(c2nnc(C)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001617355012 1073284038 /nfs/dbraw/zinc/28/40/38/1073284038.db2.gz HQVCTJWMDRBWRW-UHFFFAOYSA-N 1 2 449.581 0.775 20 0 ICADLO CCS(=O)(=O)NCCCn1c(C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001617368436 1073287172 /nfs/dbraw/zinc/28/71/72/1073287172.db2.gz RJWMRQHYEWYXLD-INIZCTEOSA-N 1 2 441.602 0.049 20 0 ICADLO CCS(=O)(=O)NCCCn1c(C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001617368437 1073287092 /nfs/dbraw/zinc/28/70/92/1073287092.db2.gz RJWMRQHYEWYXLD-MRXNPFEDSA-N 1 2 441.602 0.049 20 0 ICADLO CCS(=O)(=O)NCCn1c(C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001617383134 1073292784 /nfs/dbraw/zinc/29/27/84/1073292784.db2.gz DAFNLPVTLAWSRT-UHFFFAOYSA-N 1 2 440.545 0.996 20 0 ICADLO CCS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001617390213 1073294762 /nfs/dbraw/zinc/29/47/62/1073294762.db2.gz FQMLPQYRGUYCIH-UHFFFAOYSA-N 1 2 430.538 0.934 20 0 ICADLO CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001617391496 1073295841 /nfs/dbraw/zinc/29/58/41/1073295841.db2.gz BNVRIZADWYXAGO-UHFFFAOYSA-N 1 2 437.570 0.356 20 0 ICADLO CCS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001617396124 1073298010 /nfs/dbraw/zinc/29/80/10/1073298010.db2.gz RWBJLDKNXOVYHC-INIZCTEOSA-N 1 2 430.575 0.227 20 0 ICADLO CCS(=O)(=O)NCCn1c([C@H]2CCCCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001617396125 1073297931 /nfs/dbraw/zinc/29/79/31/1073297931.db2.gz RWBJLDKNXOVYHC-MRXNPFEDSA-N 1 2 430.575 0.227 20 0 ICADLO CC[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[NH+](CCOC)CC1 ZINC001617423137 1073303654 /nfs/dbraw/zinc/30/36/54/1073303654.db2.gz CVMMITIKAFJFFI-PMERELPUSA-N 1 2 438.554 0.543 20 0 ICADLO CC[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[NH+](CCOC)CC1 ZINC001617423138 1073303772 /nfs/dbraw/zinc/30/37/72/1073303772.db2.gz CVMMITIKAFJFFI-SSEXGKCCSA-N 1 2 438.554 0.543 20 0 ICADLO CC[S@@](=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001617424072 1073304097 /nfs/dbraw/zinc/30/40/97/1073304097.db2.gz LHWNUPCFQLZMEV-NOVUIFNWSA-N 1 2 435.598 0.996 20 0 ICADLO CC[S@](=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001617424073 1073304156 /nfs/dbraw/zinc/30/41/56/1073304156.db2.gz LHWNUPCFQLZMEV-ZOKDDAQRSA-N 1 2 435.598 0.996 20 0 ICADLO CC[S@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001617425807 1073304653 /nfs/dbraw/zinc/30/46/53/1073304653.db2.gz XLQCIIFNDYBVKD-PMERELPUSA-N 1 2 427.538 0.929 20 0 ICADLO CC[S@@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001617425808 1073304575 /nfs/dbraw/zinc/30/45/75/1073304575.db2.gz XLQCIIFNDYBVKD-SSEXGKCCSA-N 1 2 427.538 0.929 20 0 ICADLO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC001617448560 1073308011 /nfs/dbraw/zinc/30/80/11/1073308011.db2.gz CQKRLRNZYZELNF-KRWDZBQOSA-N 1 2 425.448 0.757 20 0 ICADLO CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC001617448560 1073308005 /nfs/dbraw/zinc/30/80/05/1073308005.db2.gz CQKRLRNZYZELNF-KRWDZBQOSA-N 1 2 425.448 0.757 20 0 ICADLO CCOC(=O)[C@]1(COC)CCC[N@@H+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC001617448561 1073308100 /nfs/dbraw/zinc/30/81/00/1073308100.db2.gz CQKRLRNZYZELNF-QGZVFWFLSA-N 1 2 425.448 0.757 20 0 ICADLO CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC001617448561 1073308092 /nfs/dbraw/zinc/30/80/92/1073308092.db2.gz CQKRLRNZYZELNF-QGZVFWFLSA-N 1 2 425.448 0.757 20 0 ICADLO CN(C)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001617582065 1073313118 /nfs/dbraw/zinc/31/31/18/1073313118.db2.gz PEZVJNRJJHOBDU-UHFFFAOYSA-N 1 2 444.540 0.562 20 0 ICADLO O=C(C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001617619887 1073320199 /nfs/dbraw/zinc/32/01/99/1073320199.db2.gz BOLJWDASJDPITC-KRWDZBQOSA-N 1 2 449.533 0.629 20 0 ICADLO O=C(C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001617619887 1073320189 /nfs/dbraw/zinc/32/01/89/1073320189.db2.gz BOLJWDASJDPITC-KRWDZBQOSA-N 1 2 449.533 0.629 20 0 ICADLO O=C(C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001617619888 1073319965 /nfs/dbraw/zinc/31/99/65/1073319965.db2.gz BOLJWDASJDPITC-QGZVFWFLSA-N 1 2 449.533 0.629 20 0 ICADLO O=C(C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001617619888 1073319954 /nfs/dbraw/zinc/31/99/54/1073319954.db2.gz BOLJWDASJDPITC-QGZVFWFLSA-N 1 2 449.533 0.629 20 0 ICADLO CN(C)C(=O)Cn1c(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nnc1C(C)(C)C ZINC001617620310 1073320119 /nfs/dbraw/zinc/32/01/19/1073320119.db2.gz OMRDTMDRIWASHR-UHFFFAOYSA-N 1 2 426.529 0.667 20 0 ICADLO C[NH+](C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)c1ccsc1 ZINC001617642258 1073323166 /nfs/dbraw/zinc/32/31/66/1073323166.db2.gz HFMPAQHKUGKQJO-CABCVRRESA-N 1 2 438.579 0.481 20 0 ICADLO C[NH+](C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)c1ccsc1 ZINC001617642260 1073323201 /nfs/dbraw/zinc/32/32/01/1073323201.db2.gz HFMPAQHKUGKQJO-GJZGRUSLSA-N 1 2 438.579 0.481 20 0 ICADLO C[NH+](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)c1ccsc1 ZINC001617642263 1073323087 /nfs/dbraw/zinc/32/30/87/1073323087.db2.gz HFMPAQHKUGKQJO-HUUCEWRRSA-N 1 2 438.579 0.481 20 0 ICADLO C[NH+](C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)c1ccsc1 ZINC001617642264 1073323033 /nfs/dbraw/zinc/32/30/33/1073323033.db2.gz HFMPAQHKUGKQJO-LSDHHAIUSA-N 1 2 438.579 0.481 20 0 ICADLO C[NH+](C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)C1)c1c(F)cccc1F ZINC001617643792 1073323183 /nfs/dbraw/zinc/32/31/83/1073323183.db2.gz KULVNPVOXRZPHE-INIZCTEOSA-N 1 2 447.490 0.918 20 0 ICADLO C[NH+](C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)C1)c1c(F)cccc1F ZINC001617643793 1073323320 /nfs/dbraw/zinc/32/33/20/1073323320.db2.gz KULVNPVOXRZPHE-MRXNPFEDSA-N 1 2 447.490 0.918 20 0 ICADLO CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](C)(C(N)=O)C2)c[nH+]1 ZINC001617662874 1073324498 /nfs/dbraw/zinc/32/44/98/1073324498.db2.gz MAWSBRYRNVDDAF-NRFANRHFSA-N 1 2 426.525 0.725 20 0 ICADLO CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](C)(C(N)=O)C2)c[nH+]1 ZINC001617662878 1073324688 /nfs/dbraw/zinc/32/46/88/1073324688.db2.gz MAWSBRYRNVDDAF-OAQYLSRUSA-N 1 2 426.525 0.725 20 0 ICADLO CN(C)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](C(N)=O)C2)c[nH+]1 ZINC001617662881 1073324562 /nfs/dbraw/zinc/32/45/62/1073324562.db2.gz MEOMKYBMTLNZTK-HNNXBMFYSA-N 1 2 435.492 0.746 20 0 ICADLO CN(C)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001617662885 1073324704 /nfs/dbraw/zinc/32/47/04/1073324704.db2.gz MEOMKYBMTLNZTK-OAHLLOKOSA-N 1 2 435.492 0.746 20 0 ICADLO CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001617662902 1073324677 /nfs/dbraw/zinc/32/46/77/1073324677.db2.gz MUCYHKFADNZLTI-MRXNPFEDSA-N 1 2 426.525 0.725 20 0 ICADLO CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001617666526 1073324654 /nfs/dbraw/zinc/32/46/54/1073324654.db2.gz BUVCAVHBXTYBBV-MRXNPFEDSA-N 1 2 426.525 0.612 20 0 ICADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)c[nH+]1 ZINC001617667576 1073325129 /nfs/dbraw/zinc/32/51/29/1073325129.db2.gz PRAOKZWTGYHZSI-INIZCTEOSA-N 1 2 440.552 0.523 20 0 ICADLO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)c[nH+]1 ZINC001617667577 1073325078 /nfs/dbraw/zinc/32/50/78/1073325078.db2.gz PRAOKZWTGYHZSI-MRXNPFEDSA-N 1 2 440.552 0.523 20 0 ICADLO CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](C)(C(N)=O)C2)c[nH+]1 ZINC001617667657 1073325095 /nfs/dbraw/zinc/32/50/95/1073325095.db2.gz RJNJPRXJGVNXTP-NRFANRHFSA-N 1 2 426.525 0.612 20 0 ICADLO CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](C)(C(N)=O)C2)c[nH+]1 ZINC001617667659 1073325144 /nfs/dbraw/zinc/32/51/44/1073325144.db2.gz RJNJPRXJGVNXTP-OAQYLSRUSA-N 1 2 426.525 0.612 20 0 ICADLO CN(C)c1cccnc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001617672469 1073325478 /nfs/dbraw/zinc/32/54/78/1073325478.db2.gz OOCYHAQLDBRHNF-INIZCTEOSA-N 1 2 428.541 0.507 20 0 ICADLO CN(C)c1cccnc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001617672470 1073325494 /nfs/dbraw/zinc/32/54/94/1073325494.db2.gz OOCYHAQLDBRHNF-MRXNPFEDSA-N 1 2 428.541 0.507 20 0 ICADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc([C@@H]3CCC(=O)N3)n1CCOCCCO)C2 ZINC001617675161 1073325940 /nfs/dbraw/zinc/32/59/40/1073325940.db2.gz BBCMHGHIMMCPKU-KRWDZBQOSA-N 1 2 429.525 0.652 20 0 ICADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc([C@H]3CCC(=O)N3)n1CCOCCCO)C2 ZINC001617675162 1073325887 /nfs/dbraw/zinc/32/58/87/1073325887.db2.gz BBCMHGHIMMCPKU-QGZVFWFLSA-N 1 2 429.525 0.652 20 0 ICADLO COc1ccc(NC(=O)C[NH+]2CCC(N3CN=NC3=O)CC2)cc1S(=O)(=O)N(C)C ZINC001617700978 1073328393 /nfs/dbraw/zinc/32/83/93/1073328393.db2.gz KDFSMGZTBSSNHZ-UHFFFAOYSA-N 1 2 438.510 0.518 20 0 ICADLO CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001617710222 1073330420 /nfs/dbraw/zinc/33/04/20/1073330420.db2.gz XLVSQAPFEGIRAD-UHFFFAOYSA-N 1 2 442.549 0.953 20 0 ICADLO CN(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001617711757 1073330462 /nfs/dbraw/zinc/33/04/62/1073330462.db2.gz GFMWVIMCBBDTGU-INIZCTEOSA-N 1 2 435.554 0.395 20 0 ICADLO CN(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001617711758 1073330643 /nfs/dbraw/zinc/33/06/43/1073330643.db2.gz GFMWVIMCBBDTGU-MRXNPFEDSA-N 1 2 435.554 0.395 20 0 ICADLO CN(c1nnc(Cc2ccncc2)n1CC[NH+]1CCSCC1)[C@H]1CCS(=O)(=O)C1 ZINC001617771661 1073338077 /nfs/dbraw/zinc/33/80/77/1073338077.db2.gz FFFFCZICSAHEEU-KRWDZBQOSA-N 1 2 436.607 0.936 20 0 ICADLO CN(c1nnc(Cc2ccncc2)n1CC[NH+]1CCSCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001617771662 1073338055 /nfs/dbraw/zinc/33/80/55/1073338055.db2.gz FFFFCZICSAHEEU-QGZVFWFLSA-N 1 2 436.607 0.936 20 0 ICADLO CN(CC(=O)N1CCOCC1)c1nnc(-c2cnccn2)n1CCCNc1cccc[nH+]1 ZINC001617793522 1073340413 /nfs/dbraw/zinc/34/04/13/1073340413.db2.gz LQOWJBOEHPOBCY-UHFFFAOYSA-N 1 2 437.508 0.927 20 0 ICADLO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001617809055 1073342962 /nfs/dbraw/zinc/34/29/62/1073342962.db2.gz OZZSIJPCNBLAQT-INIZCTEOSA-N 1 2 438.598 0.793 20 0 ICADLO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001617809055 1073342951 /nfs/dbraw/zinc/34/29/51/1073342951.db2.gz OZZSIJPCNBLAQT-INIZCTEOSA-N 1 2 438.598 0.793 20 0 ICADLO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001617809068 1073343078 /nfs/dbraw/zinc/34/30/78/1073343078.db2.gz OZZSIJPCNBLAQT-MRXNPFEDSA-N 1 2 438.598 0.793 20 0 ICADLO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001617809068 1073343070 /nfs/dbraw/zinc/34/30/70/1073343070.db2.gz OZZSIJPCNBLAQT-MRXNPFEDSA-N 1 2 438.598 0.793 20 0 ICADLO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001617880797 1073347147 /nfs/dbraw/zinc/34/71/47/1073347147.db2.gz DIJWNVWNELRYTB-LLVKDONJSA-N 1 2 432.930 0.230 20 0 ICADLO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001617880798 1073346853 /nfs/dbraw/zinc/34/68/53/1073346853.db2.gz DIJWNVWNELRYTB-NSHDSACASA-N 1 2 432.930 0.230 20 0 ICADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC001617881221 1073347023 /nfs/dbraw/zinc/34/70/23/1073347023.db2.gz HNPKQYMPACTXGQ-UHFFFAOYSA-N 1 2 438.550 0.420 20 0 ICADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C[C@H]1O ZINC001617939632 1073350307 /nfs/dbraw/zinc/35/03/07/1073350307.db2.gz HCXFTOFOZSAPNJ-DJIMGWMZSA-N 1 2 427.523 0.034 20 0 ICADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C[C@H]1O ZINC001617939632 1073350295 /nfs/dbraw/zinc/35/02/95/1073350295.db2.gz HCXFTOFOZSAPNJ-DJIMGWMZSA-N 1 2 427.523 0.034 20 0 ICADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C[C@H]1O ZINC001617939633 1073350142 /nfs/dbraw/zinc/35/01/42/1073350142.db2.gz HCXFTOFOZSAPNJ-USXIJHARSA-N 1 2 427.523 0.034 20 0 ICADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C[C@H]1O ZINC001617939633 1073350135 /nfs/dbraw/zinc/35/01/35/1073350135.db2.gz HCXFTOFOZSAPNJ-USXIJHARSA-N 1 2 427.523 0.034 20 0 ICADLO CCN(C(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001618028427 1073355363 /nfs/dbraw/zinc/35/53/63/1073355363.db2.gz SVANFIWXSRLKBE-FQEVSTJZSA-N 1 2 437.447 0.634 20 0 ICADLO CCN(C(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001618028427 1073355351 /nfs/dbraw/zinc/35/53/51/1073355351.db2.gz SVANFIWXSRLKBE-FQEVSTJZSA-N 1 2 437.447 0.634 20 0 ICADLO CCN(C(=O)C[N@H+]1CC[C@](O)(C(F)F)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001618028432 1073355522 /nfs/dbraw/zinc/35/55/22/1073355522.db2.gz SVANFIWXSRLKBE-HXUWFJFHSA-N 1 2 437.447 0.634 20 0 ICADLO CCN(C(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001618028432 1073355515 /nfs/dbraw/zinc/35/55/15/1073355515.db2.gz SVANFIWXSRLKBE-HXUWFJFHSA-N 1 2 437.447 0.634 20 0 ICADLO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)C2)C1=O ZINC001618047989 1073357058 /nfs/dbraw/zinc/35/70/58/1073357058.db2.gz IDANFBQHBTVGHI-AUSIDOKSSA-N 1 2 443.548 0.758 20 0 ICADLO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC001618047991 1073357021 /nfs/dbraw/zinc/35/70/21/1073357021.db2.gz IDANFBQHBTVGHI-CVDCTZTESA-N 1 2 443.548 0.758 20 0 ICADLO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC001618047996 1073356870 /nfs/dbraw/zinc/35/68/70/1073356870.db2.gz IDANFBQHBTVGHI-WMZHIEFXSA-N 1 2 443.548 0.758 20 0 ICADLO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)C2)C1=O ZINC001618048000 1073356970 /nfs/dbraw/zinc/35/69/70/1073356970.db2.gz IDANFBQHBTVGHI-XXBNENTESA-N 1 2 443.548 0.758 20 0 ICADLO C[N@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001618049048 1073356923 /nfs/dbraw/zinc/35/69/23/1073356923.db2.gz YNEYWJPWZHLAIU-CYBMUJFWSA-N 1 2 430.452 0.837 20 0 ICADLO C[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001618049048 1073356910 /nfs/dbraw/zinc/35/69/10/1073356910.db2.gz YNEYWJPWZHLAIU-CYBMUJFWSA-N 1 2 430.452 0.837 20 0 ICADLO C[N@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001618049050 1073357089 /nfs/dbraw/zinc/35/70/89/1073357089.db2.gz YNEYWJPWZHLAIU-ZDUSSCGKSA-N 1 2 430.452 0.837 20 0 ICADLO C[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001618049050 1073357083 /nfs/dbraw/zinc/35/70/83/1073357083.db2.gz YNEYWJPWZHLAIU-ZDUSSCGKSA-N 1 2 430.452 0.837 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC001618096296 1073359990 /nfs/dbraw/zinc/35/99/90/1073359990.db2.gz AZULNIXWXRLSLJ-CKRXPSODSA-N 1 2 427.549 0.540 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001618096296 1073359977 /nfs/dbraw/zinc/35/99/77/1073359977.db2.gz AZULNIXWXRLSLJ-CKRXPSODSA-N 1 2 427.549 0.540 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC001618096297 1073359836 /nfs/dbraw/zinc/35/98/36/1073359836.db2.gz AZULNIXWXRLSLJ-DJTNQYSJSA-N 1 2 427.549 0.540 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC001618096297 1073359828 /nfs/dbraw/zinc/35/98/28/1073359828.db2.gz AZULNIXWXRLSLJ-DJTNQYSJSA-N 1 2 427.549 0.540 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC001618096298 1073360325 /nfs/dbraw/zinc/36/03/25/1073360325.db2.gz AZULNIXWXRLSLJ-MQMMOTFESA-N 1 2 427.549 0.540 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC001618096298 1073360310 /nfs/dbraw/zinc/36/03/10/1073360310.db2.gz AZULNIXWXRLSLJ-MQMMOTFESA-N 1 2 427.549 0.540 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC001618096299 1073359926 /nfs/dbraw/zinc/35/99/26/1073359926.db2.gz AZULNIXWXRLSLJ-QXFHLTCZSA-N 1 2 427.549 0.540 20 0 ICADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001618096299 1073359924 /nfs/dbraw/zinc/35/99/24/1073359924.db2.gz AZULNIXWXRLSLJ-QXFHLTCZSA-N 1 2 427.549 0.540 20 0 ICADLO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001618156684 1073364423 /nfs/dbraw/zinc/36/44/23/1073364423.db2.gz VNLFNWQMIAUJBI-UHFFFAOYSA-N 1 2 438.531 0.112 20 0 ICADLO CN(CCCS(C)(=O)=O)c1nnc(-c2cnn(C)c2)n1CC[NH+]1CCSCC1 ZINC001618255429 1073369493 /nfs/dbraw/zinc/36/94/93/1073369493.db2.gz UCSCZGVETMRALY-UHFFFAOYSA-N 1 2 427.600 0.598 20 0 ICADLO CN1C(=O)NC2(CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)C3CCCCC3)CC2)C1=O ZINC001618266794 1073370835 /nfs/dbraw/zinc/37/08/35/1073370835.db2.gz UCGAXEJNJBELAV-INIZCTEOSA-N 1 2 430.509 0.560 20 0 ICADLO CN1C(=O)NC2(CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)C3CCCCC3)CC2)C1=O ZINC001618266794 1073370822 /nfs/dbraw/zinc/37/08/22/1073370822.db2.gz UCGAXEJNJBELAV-INIZCTEOSA-N 1 2 430.509 0.560 20 0 ICADLO CCN1C(=O)CO[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)[C@H]1c1ccnn1C ZINC001618282236 1073371723 /nfs/dbraw/zinc/37/17/23/1073371723.db2.gz CFZSWYOXGNBCQU-YADHBBJMSA-N 1 2 441.532 0.932 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCC1 ZINC001618297664 1073372649 /nfs/dbraw/zinc/37/26/49/1073372649.db2.gz AIDHUVJAONUACW-UHFFFAOYSA-N 1 2 447.584 0.685 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CCCO[C@@H]1CCOC1 ZINC001618297972 1073372700 /nfs/dbraw/zinc/37/27/00/1073372700.db2.gz GCLZZWGLSPIOSK-GOSISDBHSA-N 1 2 436.557 0.478 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CCCO[C@H]1CCOC1 ZINC001618297974 1073372480 /nfs/dbraw/zinc/37/24/80/1073372480.db2.gz GCLZZWGLSPIOSK-SFHVURJKSA-N 1 2 436.557 0.478 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCc1ccco1 ZINC001618298418 1073372535 /nfs/dbraw/zinc/37/25/35/1073372535.db2.gz MUBRSIKZCLHUNF-UHFFFAOYSA-N 1 2 445.524 0.192 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CO)c1 ZINC001618298440 1073372724 /nfs/dbraw/zinc/37/27/24/1073372724.db2.gz NQUVAIWIULPBMI-UHFFFAOYSA-N 1 2 428.537 0.823 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1CC(=O)NCC(F)(F)F ZINC001618302013 1073372896 /nfs/dbraw/zinc/37/28/96/1073372896.db2.gz CCBUTIBVBRSNEF-UHFFFAOYSA-N 1 2 428.419 0.182 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1CC(=O)N1CCOCC1 ZINC001618302033 1073373062 /nfs/dbraw/zinc/37/30/62/1073373062.db2.gz CWPPIXXVUOVURO-UHFFFAOYSA-N 1 2 432.500 0.711 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1CCNC(=O)c1ccn[nH]1 ZINC001618302039 1073373105 /nfs/dbraw/zinc/37/31/05/1073373105.db2.gz DAEKCHROCUHOFT-UHFFFAOYSA-N 1 2 425.497 0.262 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001618302724 1073373417 /nfs/dbraw/zinc/37/34/17/1073373417.db2.gz AMORMEHDKZNNQB-DLBZAZTESA-N 1 2 442.586 0.180 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001618302728 1073373601 /nfs/dbraw/zinc/37/36/01/1073373601.db2.gz AMORMEHDKZNNQB-IAGOWNOFSA-N 1 2 442.586 0.180 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1 ZINC001618302841 1073373555 /nfs/dbraw/zinc/37/35/55/1073373555.db2.gz JIDBKTNYBLTHMK-AVRDEDQJSA-N 1 2 428.537 0.905 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1 ZINC001618302844 1073373624 /nfs/dbraw/zinc/37/36/24/1073373624.db2.gz JIDBKTNYBLTHMK-GCJKJVERSA-N 1 2 428.537 0.905 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1 ZINC001618302845 1073373390 /nfs/dbraw/zinc/37/33/90/1073373390.db2.gz JIDBKTNYBLTHMK-PGRDOPGGSA-N 1 2 428.537 0.905 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1 ZINC001618302846 1073373497 /nfs/dbraw/zinc/37/34/97/1073373497.db2.gz JIDBKTNYBLTHMK-XMSQKQJNSA-N 1 2 428.537 0.905 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001618303020 1073373657 /nfs/dbraw/zinc/37/36/57/1073373657.db2.gz KDALOAHGCNESLP-INIZCTEOSA-N 1 2 437.570 0.323 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001618303029 1073373581 /nfs/dbraw/zinc/37/35/81/1073373581.db2.gz KDALOAHGCNESLP-MRXNPFEDSA-N 1 2 437.570 0.323 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1CC1CCS(=O)(=O)CC1 ZINC001618303923 1073373682 /nfs/dbraw/zinc/37/36/82/1073373682.db2.gz ACABXYNWBJOFQF-UHFFFAOYSA-N 1 2 448.593 0.857 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1CCNS(C)(=O)=O ZINC001618303945 1073373473 /nfs/dbraw/zinc/37/34/73/1073373473.db2.gz ANWTXLVSZPUDMB-UHFFFAOYSA-N 1 2 428.584 0.248 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CC1(C(N)=O)CCCC1 ZINC001618303952 1073373529 /nfs/dbraw/zinc/37/35/29/1073373529.db2.gz LRXJSXHLCQGUTO-UHFFFAOYSA-N 1 2 433.557 0.215 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)C1CCC1 ZINC001618304150 1073373885 /nfs/dbraw/zinc/37/38/85/1073373885.db2.gz DMYPXCGUYYMNSH-KRWDZBQOSA-N 1 2 433.557 0.304 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)C1CCC1 ZINC001618304161 1073373975 /nfs/dbraw/zinc/37/39/75/1073373975.db2.gz DMYPXCGUYYMNSH-QGZVFWFLSA-N 1 2 433.557 0.304 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(CCCc2ccccc2)n1Cc1nnn(C)n1 ZINC001618304437 1073374066 /nfs/dbraw/zinc/37/40/66/1073374066.db2.gz OMIHBJVOMBPMDN-UHFFFAOYSA-N 1 2 425.541 0.794 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1CCC1(O)CCOCC1 ZINC001618304568 1073374157 /nfs/dbraw/zinc/37/41/57/1073374157.db2.gz HAUPXVQEBOHYBT-UHFFFAOYSA-N 1 2 430.553 0.964 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCOC1 ZINC001618305082 1073374598 /nfs/dbraw/zinc/37/45/98/1073374598.db2.gz VNNKBGAUJPQTND-JOCHJYFZSA-N 1 2 431.537 0.819 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCOC1 ZINC001618305083 1073374489 /nfs/dbraw/zinc/37/44/89/1073374489.db2.gz VNNKBGAUJPQTND-QFIPXVFZSA-N 1 2 431.537 0.819 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCCOC1CCOCC1 ZINC001618305111 1073374625 /nfs/dbraw/zinc/37/46/25/1073374625.db2.gz LORUGICNEVYBSS-GOSISDBHSA-N 1 2 436.557 0.583 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCCOC1CCOCC1 ZINC001618305113 1073374411 /nfs/dbraw/zinc/37/44/11/1073374411.db2.gz LORUGICNEVYBSS-SFHVURJKSA-N 1 2 436.557 0.583 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C ZINC001618305397 1073374378 /nfs/dbraw/zinc/37/43/78/1073374378.db2.gz OLUDNRDGKHPCSL-HNNXBMFYSA-N 1 2 431.545 0.392 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C ZINC001618305398 1073374564 /nfs/dbraw/zinc/37/45/64/1073374564.db2.gz OLUDNRDGKHPCSL-OAHLLOKOSA-N 1 2 431.545 0.392 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1ccn[nH]1 ZINC001618305420 1073374506 /nfs/dbraw/zinc/37/45/06/1073374506.db2.gz PISJBGWKUIEDBR-KRWDZBQOSA-N 1 2 432.529 0.441 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1ccn[nH]1 ZINC001618305421 1073374582 /nfs/dbraw/zinc/37/45/82/1073374582.db2.gz PISJBGWKUIEDBR-QGZVFWFLSA-N 1 2 432.529 0.441 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1C[C@H]1NC(=O)CC1(C)C ZINC001618305537 1073374444 /nfs/dbraw/zinc/37/44/44/1073374444.db2.gz PPUAJVUXBVVGQI-GOSISDBHSA-N 1 2 427.553 0.947 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001618305538 1073374654 /nfs/dbraw/zinc/37/46/54/1073374654.db2.gz PPUAJVUXBVVGQI-SFHVURJKSA-N 1 2 427.553 0.947 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1CCNC(=O)c1ccn[nH]1 ZINC001618305982 1073374824 /nfs/dbraw/zinc/37/48/24/1073374824.db2.gz YNWKHIMJKUSDEF-UHFFFAOYSA-N 1 2 439.524 0.185 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CC1(C(N)=O)CCOCC1 ZINC001618306001 1073374872 /nfs/dbraw/zinc/37/48/72/1073374872.db2.gz YYXPTZLJMAWOHU-KRWDZBQOSA-N 1 2 436.557 0.570 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1CC1(C(N)=O)CCOCC1 ZINC001618306002 1073374937 /nfs/dbraw/zinc/37/49/37/1073374937.db2.gz YYXPTZLJMAWOHU-QGZVFWFLSA-N 1 2 436.557 0.570 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C2CCCC2)n1CCN1CCCS1(=O)=O ZINC001618306003 1073375082 /nfs/dbraw/zinc/37/50/82/1073375082.db2.gz YZMVRQWRSJYJLE-UHFFFAOYSA-N 1 2 426.587 0.740 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1CCC(=O)N1CCOCC1 ZINC001618306019 1073375027 /nfs/dbraw/zinc/37/50/27/1073375027.db2.gz ZJWPXTCHIHZIIK-UHFFFAOYSA-N 1 2 443.552 0.281 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccco1 ZINC001618306025 1073375113 /nfs/dbraw/zinc/37/51/13/1073375113.db2.gz ZMJPLCQBSOYNPM-HNNXBMFYSA-N 1 2 431.497 0.021 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccco1 ZINC001618306026 1073375043 /nfs/dbraw/zinc/37/50/43/1073375043.db2.gz ZMJPLCQBSOYNPM-OAHLLOKOSA-N 1 2 431.497 0.021 20 0 ICADLO C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001618361534 1073381370 /nfs/dbraw/zinc/38/13/70/1073381370.db2.gz RZPKHMLYRGNFJF-PSOPSSQASA-N 1 2 426.395 0.968 20 0 ICADLO C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001618361534 1073381365 /nfs/dbraw/zinc/38/13/65/1073381365.db2.gz RZPKHMLYRGNFJF-PSOPSSQASA-N 1 2 426.395 0.968 20 0 ICADLO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001618361535 1073381217 /nfs/dbraw/zinc/38/12/17/1073381217.db2.gz RZPKHMLYRGNFJF-WDBKCZKBSA-N 1 2 426.395 0.968 20 0 ICADLO C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001618361535 1073381211 /nfs/dbraw/zinc/38/12/11/1073381211.db2.gz RZPKHMLYRGNFJF-WDBKCZKBSA-N 1 2 426.395 0.968 20 0 ICADLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC001618374140 1073382217 /nfs/dbraw/zinc/38/22/17/1073382217.db2.gz QHPKZXILYDDUPY-INIZCTEOSA-N 1 2 448.586 0.142 20 0 ICADLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC001618374140 1073382210 /nfs/dbraw/zinc/38/22/10/1073382210.db2.gz QHPKZXILYDDUPY-INIZCTEOSA-N 1 2 448.586 0.142 20 0 ICADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC001618374141 1073382362 /nfs/dbraw/zinc/38/23/62/1073382362.db2.gz QHPKZXILYDDUPY-MRXNPFEDSA-N 1 2 448.586 0.142 20 0 ICADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC001618374141 1073382355 /nfs/dbraw/zinc/38/23/55/1073382355.db2.gz QHPKZXILYDDUPY-MRXNPFEDSA-N 1 2 448.586 0.142 20 0 ICADLO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH+]2CCN(C(=O)C(=O)OC(C)(C)C)CC2)CC1 ZINC001618416826 1073386727 /nfs/dbraw/zinc/38/67/27/1073386727.db2.gz TVRFGRMOSLMDEL-JQHMZKTJSA-N 1 2 442.553 0.708 20 0 ICADLO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH+]2CCN(C(=O)C(=O)OC(C)(C)C)CC2)CC1 ZINC001618416827 1073386809 /nfs/dbraw/zinc/38/68/09/1073386809.db2.gz TVRFGRMOSLMDEL-PSCUFVCCSA-N 1 2 442.553 0.708 20 0 ICADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC001618416829 1073386775 /nfs/dbraw/zinc/38/67/75/1073386775.db2.gz TWLTVTUQMZUTCN-KRWDZBQOSA-N 1 2 431.537 0.605 20 0 ICADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC001618416830 1073386760 /nfs/dbraw/zinc/38/67/60/1073386760.db2.gz TWLTVTUQMZUTCN-QGZVFWFLSA-N 1 2 431.537 0.605 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C)C1=O ZINC001618455768 1073391218 /nfs/dbraw/zinc/39/12/18/1073391218.db2.gz DHUNSRMHLBLKIP-NRFANRHFSA-N 1 2 442.524 0.172 20 0 ICADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C)C1=O ZINC001618455769 1073391330 /nfs/dbraw/zinc/39/13/30/1073391330.db2.gz DHUNSRMHLBLKIP-OAQYLSRUSA-N 1 2 442.524 0.172 20 0 ICADLO Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cnc21 ZINC001618474861 1073398038 /nfs/dbraw/zinc/39/80/38/1073398038.db2.gz ACGUGYSKRMPWRI-CYBMUJFWSA-N 1 2 440.426 0.650 20 0 ICADLO Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cnc21 ZINC001618474862 1073398070 /nfs/dbraw/zinc/39/80/70/1073398070.db2.gz ACGUGYSKRMPWRI-ZDUSSCGKSA-N 1 2 440.426 0.650 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001618474873 1073397762 /nfs/dbraw/zinc/39/77/62/1073397762.db2.gz AUSHYEFGBPVKCJ-AWEZNQCLSA-N 1 2 431.461 0.346 20 0 ICADLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001618475204 1073398370 /nfs/dbraw/zinc/39/83/70/1073398370.db2.gz GKXUEWIZEOUUTB-SFNKJDCFSA-N 1 2 436.553 0.539 20 0 ICADLO O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001618475205 1073398615 /nfs/dbraw/zinc/39/86/15/1073398615.db2.gz GLOMYVGGPRVJGR-AWEZNQCLSA-N 1 2 443.470 0.830 20 0 ICADLO O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001618475206 1073398784 /nfs/dbraw/zinc/39/87/84/1073398784.db2.gz GLOMYVGGPRVJGR-CQSZACIVSA-N 1 2 443.470 0.830 20 0 ICADLO Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001618475219 1073398498 /nfs/dbraw/zinc/39/84/98/1073398498.db2.gz GWRCPXITMODTDP-HNNXBMFYSA-N 1 2 432.550 0.444 20 0 ICADLO Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001618475220 1073398681 /nfs/dbraw/zinc/39/86/81/1073398681.db2.gz GWRCPXITMODTDP-OAHLLOKOSA-N 1 2 432.550 0.444 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2ncc(Br)cn2n1 ZINC001618475370 1073398513 /nfs/dbraw/zinc/39/85/13/1073398513.db2.gz IMXIOCGTJCQCGU-CYBMUJFWSA-N 1 2 437.298 0.155 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2ncc(Br)cn2n1 ZINC001618475371 1073398651 /nfs/dbraw/zinc/39/86/51/1073398651.db2.gz IMXIOCGTJCQCGU-ZDUSSCGKSA-N 1 2 437.298 0.155 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001618475786 1073398412 /nfs/dbraw/zinc/39/84/12/1073398412.db2.gz MLKVPIYOKZPTND-CABCVRRESA-N 1 2 436.459 0.367 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001618475787 1073398538 /nfs/dbraw/zinc/39/85/38/1073398538.db2.gz MLKVPIYOKZPTND-GJZGRUSLSA-N 1 2 436.459 0.367 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001618475788 1073398478 /nfs/dbraw/zinc/39/84/78/1073398478.db2.gz MLKVPIYOKZPTND-HUUCEWRRSA-N 1 2 436.459 0.367 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001618475789 1073398708 /nfs/dbraw/zinc/39/87/08/1073398708.db2.gz MLKVPIYOKZPTND-LSDHHAIUSA-N 1 2 436.459 0.367 20 0 ICADLO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1(C)C ZINC001618475827 1073399452 /nfs/dbraw/zinc/39/94/52/1073399452.db2.gz NRZZLQPIATVRMM-BRWVUGGUSA-N 1 2 438.569 0.975 20 0 ICADLO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1(C)C ZINC001618475828 1073399143 /nfs/dbraw/zinc/39/91/43/1073399143.db2.gz NRZZLQPIATVRMM-GVDBMIGSSA-N 1 2 438.569 0.975 20 0 ICADLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1(C)C ZINC001618475829 1073399302 /nfs/dbraw/zinc/39/93/02/1073399302.db2.gz NRZZLQPIATVRMM-IXDOHACOSA-N 1 2 438.569 0.975 20 0 ICADLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1(C)C ZINC001618475830 1073399393 /nfs/dbraw/zinc/39/93/93/1073399393.db2.gz NRZZLQPIATVRMM-YESZJQIVSA-N 1 2 438.569 0.975 20 0 ICADLO O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001618476874 1073399812 /nfs/dbraw/zinc/39/98/12/1073399812.db2.gz ULGMDFNKCVTNNF-CYBMUJFWSA-N 1 2 445.442 0.024 20 0 ICADLO O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001618476875 1073399986 /nfs/dbraw/zinc/39/99/86/1073399986.db2.gz ULGMDFNKCVTNNF-ZDUSSCGKSA-N 1 2 445.442 0.024 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001618476930 1073399961 /nfs/dbraw/zinc/39/99/61/1073399961.db2.gz VQIFDFSSIFYYIN-INIZCTEOSA-N 1 2 438.475 0.464 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001618476932 1073399768 /nfs/dbraw/zinc/39/97/68/1073399768.db2.gz VQIFDFSSIFYYIN-MRXNPFEDSA-N 1 2 438.475 0.464 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001618476942 1073399678 /nfs/dbraw/zinc/39/96/78/1073399678.db2.gz VVKIDTIJKQLJAH-AEFFLSMTSA-N 1 2 432.496 0.618 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001618476943 1073399897 /nfs/dbraw/zinc/39/98/97/1073399897.db2.gz VVKIDTIJKQLJAH-FUHWJXTLSA-N 1 2 432.496 0.618 20 0 ICADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001618476944 1073399874 /nfs/dbraw/zinc/39/98/74/1073399874.db2.gz VVKIDTIJKQLJAH-SJLPKXTDSA-N 1 2 432.496 0.618 20 0 ICADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001618476945 1073399730 /nfs/dbraw/zinc/39/97/30/1073399730.db2.gz VVKIDTIJKQLJAH-WMZOPIPTSA-N 1 2 432.496 0.618 20 0 ICADLO CC(C)(C)OC(=O)CC1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC001618476980 1073400817 /nfs/dbraw/zinc/40/08/17/1073400817.db2.gz WLWNYLBCONTSOS-KRWDZBQOSA-N 1 2 439.553 0.564 20 0 ICADLO CC(C)(C)OC(=O)CC1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC001618476984 1073400740 /nfs/dbraw/zinc/40/07/40/1073400740.db2.gz WLWNYLBCONTSOS-QGZVFWFLSA-N 1 2 439.553 0.564 20 0 ICADLO CCOC1CC(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)([NH+]2CCOCC2)C1 ZINC001618506284 1073410380 /nfs/dbraw/zinc/41/03/80/1073410380.db2.gz OXGDUZDTGZZZLA-UHFFFAOYSA-N 1 2 440.585 0.925 20 0 ICADLO CCOC1CC(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)([NH+]2CCOCC2)C1 ZINC001618506543 1073410528 /nfs/dbraw/zinc/41/05/28/1073410528.db2.gz RDTVYBSZAOQGKD-DKTYTTGXSA-N 1 2 440.585 0.924 20 0 ICADLO CCOC1CC(CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)([NH+]2CCOCC2)C1 ZINC001618506544 1073410556 /nfs/dbraw/zinc/41/05/56/1073410556.db2.gz RDTVYBSZAOQGKD-WUZYXKQASA-N 1 2 440.585 0.924 20 0 ICADLO Cn1ncc2c1CCC[N@@H+](CC(=O)NCc1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 ZINC001618509998 1073411363 /nfs/dbraw/zinc/41/13/63/1073411363.db2.gz GFEQIAXVFDJALO-UHFFFAOYSA-N 1 2 447.561 0.506 20 0 ICADLO Cn1ncc2c1CCC[N@H+](CC(=O)NCc1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 ZINC001618509998 1073411358 /nfs/dbraw/zinc/41/13/58/1073411358.db2.gz GFEQIAXVFDJALO-UHFFFAOYSA-N 1 2 447.561 0.506 20 0 ICADLO CNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001618515424 1073413143 /nfs/dbraw/zinc/41/31/43/1073413143.db2.gz CHMDRRDVSQWVHN-INIZCTEOSA-N 1 2 428.541 0.979 20 0 ICADLO CNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001618515425 1073413231 /nfs/dbraw/zinc/41/32/31/1073413231.db2.gz CHMDRRDVSQWVHN-MRXNPFEDSA-N 1 2 428.541 0.979 20 0 ICADLO CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001618516714 1073414639 /nfs/dbraw/zinc/41/46/39/1073414639.db2.gz XHIUSNCYPVCXFE-CVEARBPZSA-N 1 2 438.598 0.627 20 0 ICADLO CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001618516714 1073414634 /nfs/dbraw/zinc/41/46/34/1073414634.db2.gz XHIUSNCYPVCXFE-CVEARBPZSA-N 1 2 438.598 0.627 20 0 ICADLO CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001618516716 1073414498 /nfs/dbraw/zinc/41/44/98/1073414498.db2.gz XHIUSNCYPVCXFE-HOTGVXAUSA-N 1 2 438.598 0.627 20 0 ICADLO CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001618516716 1073414494 /nfs/dbraw/zinc/41/44/94/1073414494.db2.gz XHIUSNCYPVCXFE-HOTGVXAUSA-N 1 2 438.598 0.627 20 0 ICADLO CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001618516717 1073414558 /nfs/dbraw/zinc/41/45/58/1073414558.db2.gz XHIUSNCYPVCXFE-HZPDHXFCSA-N 1 2 438.598 0.627 20 0 ICADLO CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001618516717 1073414545 /nfs/dbraw/zinc/41/45/45/1073414545.db2.gz XHIUSNCYPVCXFE-HZPDHXFCSA-N 1 2 438.598 0.627 20 0 ICADLO CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001618516719 1073414681 /nfs/dbraw/zinc/41/46/81/1073414681.db2.gz XHIUSNCYPVCXFE-JKSUJKDBSA-N 1 2 438.598 0.627 20 0 ICADLO CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001618516719 1073414669 /nfs/dbraw/zinc/41/46/69/1073414669.db2.gz XHIUSNCYPVCXFE-JKSUJKDBSA-N 1 2 438.598 0.627 20 0 ICADLO CO[C@@H]1C[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)N(C(=O)OCc2ccccc2)C1 ZINC001618544821 1073420544 /nfs/dbraw/zinc/42/05/44/1073420544.db2.gz BDJPWBNLTIQJCX-WOJBJXKFSA-N 1 2 442.520 0.848 20 0 ICADLO CNC(=O)[C@@H](C)CN(C)c1nnc(CN2CCCC2=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001618568709 1073427798 /nfs/dbraw/zinc/42/77/98/1073427798.db2.gz WPYWTEOZLDBZCD-INIZCTEOSA-N 1 2 433.557 0.084 20 0 ICADLO CNC(=O)[C@H](C)CN(C)c1nnc(CN2CCCC2=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001618568714 1073427782 /nfs/dbraw/zinc/42/77/82/1073427782.db2.gz WPYWTEOZLDBZCD-MRXNPFEDSA-N 1 2 433.557 0.084 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001618573715 1073428544 /nfs/dbraw/zinc/42/85/44/1073428544.db2.gz MQUMGDFAVZNXOX-CBGDNZLLSA-N 1 2 438.573 0.685 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001618573716 1073428667 /nfs/dbraw/zinc/42/86/67/1073428667.db2.gz MQUMGDFAVZNXOX-CSODHUTKSA-N 1 2 438.573 0.685 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001618573717 1073428502 /nfs/dbraw/zinc/42/85/02/1073428502.db2.gz MQUMGDFAVZNXOX-LLGFUMIMSA-N 1 2 438.573 0.685 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001618573718 1073428636 /nfs/dbraw/zinc/42/86/36/1073428636.db2.gz MQUMGDFAVZNXOX-XGHQBKJUSA-N 1 2 438.573 0.685 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(CN3CCCC3=O)n2Cc2c[nH+]ccc2OC)C1 ZINC001618595508 1073434979 /nfs/dbraw/zinc/43/49/79/1073434979.db2.gz HRASEBJCXVWEDK-NRFANRHFSA-N 1 2 427.509 0.815 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(CN3CCCC3=O)n2Cc2c[nH+]ccc2OC)C1 ZINC001618595509 1073435676 /nfs/dbraw/zinc/43/56/76/1073435676.db2.gz HRASEBJCXVWEDK-OAQYLSRUSA-N 1 2 427.509 0.815 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001618595997 1073435747 /nfs/dbraw/zinc/43/57/47/1073435747.db2.gz MRZULPUUPUSDIV-HRAATJIYSA-N 1 2 433.557 0.084 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001618595997 1073435745 /nfs/dbraw/zinc/43/57/45/1073435745.db2.gz MRZULPUUPUSDIV-HRAATJIYSA-N 1 2 433.557 0.084 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001618595998 1073435724 /nfs/dbraw/zinc/43/57/24/1073435724.db2.gz MRZULPUUPUSDIV-IERDGZPVSA-N 1 2 433.557 0.084 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001618595998 1073435719 /nfs/dbraw/zinc/43/57/19/1073435719.db2.gz MRZULPUUPUSDIV-IERDGZPVSA-N 1 2 433.557 0.084 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001618596000 1073435755 /nfs/dbraw/zinc/43/57/55/1073435755.db2.gz MRZULPUUPUSDIV-IIBYNOLFSA-N 1 2 433.557 0.084 20 0 ICADLO CNC(=O)[C@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001618596000 1073435754 /nfs/dbraw/zinc/43/57/54/1073435754.db2.gz MRZULPUUPUSDIV-IIBYNOLFSA-N 1 2 433.557 0.084 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001618596002 1073435698 /nfs/dbraw/zinc/43/56/98/1073435698.db2.gz MRZULPUUPUSDIV-KKSFZXQISA-N 1 2 433.557 0.084 20 0 ICADLO CNC(=O)[C@@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001618596002 1073435694 /nfs/dbraw/zinc/43/56/94/1073435694.db2.gz MRZULPUUPUSDIV-KKSFZXQISA-N 1 2 433.557 0.084 20 0 ICADLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)n1 ZINC001618600209 1073436558 /nfs/dbraw/zinc/43/65/58/1073436558.db2.gz YIBGJTBJACQGDE-GOSISDBHSA-N 1 2 432.550 0.577 20 0 ICADLO Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)n1 ZINC001618600209 1073436552 /nfs/dbraw/zinc/43/65/52/1073436552.db2.gz YIBGJTBJACQGDE-GOSISDBHSA-N 1 2 432.550 0.577 20 0 ICADLO Cc1nnc([C@@H]2CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)[nH]1 ZINC001618600209 1073436546 /nfs/dbraw/zinc/43/65/46/1073436546.db2.gz YIBGJTBJACQGDE-GOSISDBHSA-N 1 2 432.550 0.577 20 0 ICADLO Cc1nnc([C@@H]2CC[N@H+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)[nH]1 ZINC001618600209 1073436539 /nfs/dbraw/zinc/43/65/39/1073436539.db2.gz YIBGJTBJACQGDE-GOSISDBHSA-N 1 2 432.550 0.577 20 0 ICADLO Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)n1 ZINC001618600210 1073436498 /nfs/dbraw/zinc/43/64/98/1073436498.db2.gz YIBGJTBJACQGDE-SFHVURJKSA-N 1 2 432.550 0.577 20 0 ICADLO Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)n1 ZINC001618600210 1073436487 /nfs/dbraw/zinc/43/64/87/1073436487.db2.gz YIBGJTBJACQGDE-SFHVURJKSA-N 1 2 432.550 0.577 20 0 ICADLO Cc1nnc([C@H]2CC[N@@H+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)[nH]1 ZINC001618600210 1073436475 /nfs/dbraw/zinc/43/64/75/1073436475.db2.gz YIBGJTBJACQGDE-SFHVURJKSA-N 1 2 432.550 0.577 20 0 ICADLO Cc1nnc([C@H]2CC[N@H+](CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)[nH]1 ZINC001618600210 1073436459 /nfs/dbraw/zinc/43/64/59/1073436459.db2.gz YIBGJTBJACQGDE-SFHVURJKSA-N 1 2 432.550 0.577 20 0 ICADLO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001618600230 1073436289 /nfs/dbraw/zinc/43/62/89/1073436289.db2.gz YPDIZNAIKYXTNU-BEFAXECRSA-N 1 2 438.550 0.252 20 0 ICADLO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001618600230 1073436283 /nfs/dbraw/zinc/43/62/83/1073436283.db2.gz YPDIZNAIKYXTNU-BEFAXECRSA-N 1 2 438.550 0.252 20 0 ICADLO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001618600231 1073436612 /nfs/dbraw/zinc/43/66/12/1073436612.db2.gz YPDIZNAIKYXTNU-DNVCBOLYSA-N 1 2 438.550 0.252 20 0 ICADLO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001618600231 1073436605 /nfs/dbraw/zinc/43/66/05/1073436605.db2.gz YPDIZNAIKYXTNU-DNVCBOLYSA-N 1 2 438.550 0.252 20 0 ICADLO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001618600232 1073436640 /nfs/dbraw/zinc/43/66/40/1073436640.db2.gz YPDIZNAIKYXTNU-HNAYVOBHSA-N 1 2 438.550 0.252 20 0 ICADLO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001618600232 1073436639 /nfs/dbraw/zinc/43/66/39/1073436639.db2.gz YPDIZNAIKYXTNU-HNAYVOBHSA-N 1 2 438.550 0.252 20 0 ICADLO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001618600233 1073436356 /nfs/dbraw/zinc/43/63/56/1073436356.db2.gz YPDIZNAIKYXTNU-KXBFYZLASA-N 1 2 438.550 0.252 20 0 ICADLO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001618600233 1073436347 /nfs/dbraw/zinc/43/63/47/1073436347.db2.gz YPDIZNAIKYXTNU-KXBFYZLASA-N 1 2 438.550 0.252 20 0 ICADLO CC(C)[N@@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C[C@@H]1CCC(=O)N1 ZINC001618613776 1073439476 /nfs/dbraw/zinc/43/94/76/1073439476.db2.gz DZQNJFSPJUMYQK-HNNXBMFYSA-N 1 2 431.580 0.700 20 0 ICADLO CC(C)[N@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C[C@@H]1CCC(=O)N1 ZINC001618613776 1073439465 /nfs/dbraw/zinc/43/94/65/1073439465.db2.gz DZQNJFSPJUMYQK-HNNXBMFYSA-N 1 2 431.580 0.700 20 0 ICADLO CC(C)[N@@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C[C@H]1CCC(=O)N1 ZINC001618613777 1073439241 /nfs/dbraw/zinc/43/92/41/1073439241.db2.gz DZQNJFSPJUMYQK-OAHLLOKOSA-N 1 2 431.580 0.700 20 0 ICADLO CC(C)[N@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C[C@H]1CCC(=O)N1 ZINC001618613777 1073439236 /nfs/dbraw/zinc/43/92/36/1073439236.db2.gz DZQNJFSPJUMYQK-OAHLLOKOSA-N 1 2 431.580 0.700 20 0 ICADLO CNC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001618623878 1073443022 /nfs/dbraw/zinc/44/30/22/1073443022.db2.gz QTDIQFAZRZYUGB-KRWDZBQOSA-N 1 2 440.552 0.986 20 0 ICADLO CNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001618623879 1073443091 /nfs/dbraw/zinc/44/30/91/1073443091.db2.gz QTDIQFAZRZYUGB-QGZVFWFLSA-N 1 2 440.552 0.986 20 0 ICADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001618640529 1073445813 /nfs/dbraw/zinc/44/58/13/1073445813.db2.gz HMPLIFSUZRQLGX-MOPGFXCFSA-N 1 2 447.584 0.299 20 0 ICADLO CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001618640530 1073445801 /nfs/dbraw/zinc/44/58/01/1073445801.db2.gz HMPLIFSUZRQLGX-OALUTQOASA-N 1 2 447.584 0.299 20 0 ICADLO CNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001618640531 1073445636 /nfs/dbraw/zinc/44/56/36/1073445636.db2.gz HMPLIFSUZRQLGX-RBUKOAKNSA-N 1 2 447.584 0.299 20 0 ICADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001618640532 1073445689 /nfs/dbraw/zinc/44/56/89/1073445689.db2.gz HMPLIFSUZRQLGX-RTBURBONSA-N 1 2 447.584 0.299 20 0 ICADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001618659332 1073449867 /nfs/dbraw/zinc/44/98/67/1073449867.db2.gz YIXAALIAJMNGDE-QZTJIDSGSA-N 1 2 433.557 0.256 20 0 ICADLO CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001618659334 1073449962 /nfs/dbraw/zinc/44/99/62/1073449962.db2.gz YIXAALIAJMNGDE-ZWKOTPCHSA-N 1 2 433.557 0.256 20 0 ICADLO CNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001618675066 1073454149 /nfs/dbraw/zinc/45/41/49/1073454149.db2.gz FRYWOQODQAETCW-KRWDZBQOSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001618675066 1073454143 /nfs/dbraw/zinc/45/41/43/1073454143.db2.gz FRYWOQODQAETCW-KRWDZBQOSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001618675068 1073454104 /nfs/dbraw/zinc/45/41/04/1073454104.db2.gz FRYWOQODQAETCW-QGZVFWFLSA-N 1 2 427.553 0.947 20 0 ICADLO CNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001618675068 1073454096 /nfs/dbraw/zinc/45/40/96/1073454096.db2.gz FRYWOQODQAETCW-QGZVFWFLSA-N 1 2 427.553 0.947 20 0 ICADLO CCCN(C(=O)C[N@H+]1CC[C@H](NC(C)=O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001618676480 1073454183 /nfs/dbraw/zinc/45/41/83/1073454183.db2.gz FUVDDCXUNFPITC-KRWDZBQOSA-N 1 2 442.520 0.533 20 0 ICADLO CCCN(C(=O)C[N@@H+]1CC[C@H](NC(C)=O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001618676480 1073454179 /nfs/dbraw/zinc/45/41/79/1073454179.db2.gz FUVDDCXUNFPITC-KRWDZBQOSA-N 1 2 442.520 0.533 20 0 ICADLO CCCN(C(=O)C[N@H+]1CC[C@@H](NC(C)=O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001618676481 1073453982 /nfs/dbraw/zinc/45/39/82/1073453982.db2.gz FUVDDCXUNFPITC-QGZVFWFLSA-N 1 2 442.520 0.533 20 0 ICADLO CCCN(C(=O)C[N@@H+]1CC[C@@H](NC(C)=O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001618676481 1073453971 /nfs/dbraw/zinc/45/39/71/1073453971.db2.gz FUVDDCXUNFPITC-QGZVFWFLSA-N 1 2 442.520 0.533 20 0 ICADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 ZINC001618676909 1073453925 /nfs/dbraw/zinc/45/39/25/1073453925.db2.gz MZTPOVBZXALRGV-GOSISDBHSA-N 1 2 434.562 0.961 20 0 ICADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 ZINC001618676909 1073453919 /nfs/dbraw/zinc/45/39/19/1073453919.db2.gz MZTPOVBZXALRGV-GOSISDBHSA-N 1 2 434.562 0.961 20 0 ICADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 ZINC001618676912 1073454198 /nfs/dbraw/zinc/45/41/98/1073454198.db2.gz MZTPOVBZXALRGV-SFHVURJKSA-N 1 2 434.562 0.961 20 0 ICADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 ZINC001618676912 1073454190 /nfs/dbraw/zinc/45/41/90/1073454190.db2.gz MZTPOVBZXALRGV-SFHVURJKSA-N 1 2 434.562 0.961 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCNc2cccc[nH+]2)CCO1 ZINC001618679826 1073454447 /nfs/dbraw/zinc/45/44/47/1073454447.db2.gz ARUHKVCUIUQSFA-HNNXBMFYSA-N 1 2 430.513 0.265 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCNc2cccc[nH+]2)CCO1 ZINC001618679828 1073454383 /nfs/dbraw/zinc/45/43/83/1073454383.db2.gz ARUHKVCUIUQSFA-OAHLLOKOSA-N 1 2 430.513 0.265 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001618681507 1073456761 /nfs/dbraw/zinc/45/67/61/1073456761.db2.gz UUCDPIUEYJKQGM-INIZCTEOSA-N 1 2 442.524 0.363 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001618681508 1073456567 /nfs/dbraw/zinc/45/65/67/1073456567.db2.gz UUCDPIUEYJKQGM-MRXNPFEDSA-N 1 2 442.524 0.363 20 0 ICADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC([C@@]3(C)NC(=O)NC3=O)CC1)CC2 ZINC001618696136 1073467984 /nfs/dbraw/zinc/46/79/84/1073467984.db2.gz MYUCEEAGZFYFFX-JOCHJYFZSA-N 1 2 430.505 0.899 20 0 ICADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC([C@@]3(C)NC(=O)NC3=O)CC1)CC2 ZINC001618696136 1073467976 /nfs/dbraw/zinc/46/79/76/1073467976.db2.gz MYUCEEAGZFYFFX-JOCHJYFZSA-N 1 2 430.505 0.899 20 0 ICADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC([C@]3(C)NC(=O)NC3=O)CC1)CC2 ZINC001618696141 1073467965 /nfs/dbraw/zinc/46/79/65/1073467965.db2.gz MYUCEEAGZFYFFX-QFIPXVFZSA-N 1 2 430.505 0.899 20 0 ICADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC([C@]3(C)NC(=O)NC3=O)CC1)CC2 ZINC001618696141 1073467962 /nfs/dbraw/zinc/46/79/62/1073467962.db2.gz MYUCEEAGZFYFFX-QFIPXVFZSA-N 1 2 430.505 0.899 20 0 ICADLO Cn1cc[nH+]c1CCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001618702711 1073472865 /nfs/dbraw/zinc/47/28/65/1073472865.db2.gz GFJONKCBSKADJR-UHFFFAOYSA-N 1 2 441.554 0.446 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001618702817 1073473511 /nfs/dbraw/zinc/47/35/11/1073473511.db2.gz HQDQJIUJUZIGTG-PBHICJAKSA-N 1 2 449.581 0.306 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001618702817 1073473505 /nfs/dbraw/zinc/47/35/05/1073473505.db2.gz HQDQJIUJUZIGTG-PBHICJAKSA-N 1 2 449.581 0.306 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001618702818 1073473325 /nfs/dbraw/zinc/47/33/25/1073473325.db2.gz HQDQJIUJUZIGTG-RHSMWYFYSA-N 1 2 449.581 0.306 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001618702818 1073473319 /nfs/dbraw/zinc/47/33/19/1073473319.db2.gz HQDQJIUJUZIGTG-RHSMWYFYSA-N 1 2 449.581 0.306 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001618702819 1073473490 /nfs/dbraw/zinc/47/34/90/1073473490.db2.gz HQDQJIUJUZIGTG-WMLDXEAASA-N 1 2 449.581 0.306 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001618702819 1073473484 /nfs/dbraw/zinc/47/34/84/1073473484.db2.gz HQDQJIUJUZIGTG-WMLDXEAASA-N 1 2 449.581 0.306 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001618702820 1073473300 /nfs/dbraw/zinc/47/33/00/1073473300.db2.gz HQDQJIUJUZIGTG-YOEHRIQHSA-N 1 2 449.581 0.306 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001618702820 1073473295 /nfs/dbraw/zinc/47/32/95/1073473295.db2.gz HQDQJIUJUZIGTG-YOEHRIQHSA-N 1 2 449.581 0.306 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001618703112 1073473394 /nfs/dbraw/zinc/47/33/94/1073473394.db2.gz MLSYASYXQKVTMY-HUUCEWRRSA-N 1 2 439.538 0.607 20 0 ICADLO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001618703112 1073473386 /nfs/dbraw/zinc/47/33/86/1073473386.db2.gz MLSYASYXQKVTMY-HUUCEWRRSA-N 1 2 439.538 0.607 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001618704059 1073474866 /nfs/dbraw/zinc/47/48/66/1073474866.db2.gz QCWPBHWWQCSGGY-AZUAARDMSA-N 1 2 442.564 0.735 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001618704060 1073474755 /nfs/dbraw/zinc/47/47/55/1073474755.db2.gz QCWPBHWWQCSGGY-ICSRJNTNSA-N 1 2 442.564 0.735 20 0 ICADLO CNC(=O)[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001618704061 1073474888 /nfs/dbraw/zinc/47/48/88/1073474888.db2.gz QCWPBHWWQCSGGY-QUCCMNQESA-N 1 2 442.564 0.735 20 0 ICADLO CNC(=O)[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001618704062 1073474963 /nfs/dbraw/zinc/47/49/63/1073474963.db2.gz QCWPBHWWQCSGGY-UYAOXDASSA-N 1 2 442.564 0.735 20 0 ICADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1 ZINC001618706927 1073476811 /nfs/dbraw/zinc/47/68/11/1073476811.db2.gz VEWRJPBCYSSSBR-JXFKEZNVSA-N 1 2 448.568 0.599 20 0 ICADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1 ZINC001618706927 1073476807 /nfs/dbraw/zinc/47/68/07/1073476807.db2.gz VEWRJPBCYSSSBR-JXFKEZNVSA-N 1 2 448.568 0.599 20 0 ICADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1 ZINC001618706929 1073476976 /nfs/dbraw/zinc/47/69/76/1073476976.db2.gz VEWRJPBCYSSSBR-OXJNMPFZSA-N 1 2 448.568 0.599 20 0 ICADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1 ZINC001618706929 1073476968 /nfs/dbraw/zinc/47/69/68/1073476968.db2.gz VEWRJPBCYSSSBR-OXJNMPFZSA-N 1 2 448.568 0.599 20 0 ICADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1 ZINC001618706930 1073476951 /nfs/dbraw/zinc/47/69/51/1073476951.db2.gz VEWRJPBCYSSSBR-OXQOHEQNSA-N 1 2 448.568 0.599 20 0 ICADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1 ZINC001618706930 1073476945 /nfs/dbraw/zinc/47/69/45/1073476945.db2.gz VEWRJPBCYSSSBR-OXQOHEQNSA-N 1 2 448.568 0.599 20 0 ICADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1 ZINC001618706932 1073477014 /nfs/dbraw/zinc/47/70/14/1073477014.db2.gz VEWRJPBCYSSSBR-UZLBHIALSA-N 1 2 448.568 0.599 20 0 ICADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1 ZINC001618706932 1073477007 /nfs/dbraw/zinc/47/70/07/1073477007.db2.gz VEWRJPBCYSSSBR-UZLBHIALSA-N 1 2 448.568 0.599 20 0 ICADLO COC(=O)[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1c1ccc(F)cc1F ZINC001618707217 1073477079 /nfs/dbraw/zinc/47/70/79/1073477079.db2.gz JBHWBEUHKSVRIL-JKSUJKDBSA-N 1 2 447.504 0.551 20 0 ICADLO COC(=O)[C@@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1c1ccc(F)cc1F ZINC001618707217 1073477071 /nfs/dbraw/zinc/47/70/71/1073477071.db2.gz JBHWBEUHKSVRIL-JKSUJKDBSA-N 1 2 447.504 0.551 20 0 ICADLO CNC(=O)CC1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001618709586 1073478248 /nfs/dbraw/zinc/47/82/48/1073478248.db2.gz FSZWQNCJAAWLKY-UHFFFAOYSA-N 1 2 449.600 0.880 20 0 ICADLO CNC(=O)CC1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001618709586 1073478243 /nfs/dbraw/zinc/47/82/43/1073478243.db2.gz FSZWQNCJAAWLKY-UHFFFAOYSA-N 1 2 449.600 0.880 20 0 ICADLO CN1C(=O)NCC12CC[NH+](CC(=O)Nc1cccc(S(=O)(=O)NC3=NCCC3)c1)CC2 ZINC001618734617 1073485573 /nfs/dbraw/zinc/48/55/73/1073485573.db2.gz QZOOPBYOBQWFEM-UHFFFAOYSA-N 1 2 448.549 0.585 20 0 ICADLO O=C(C[NH+]1CCC(NC(=O)N2CCOCC2)CC1)NCC(=O)Nc1ccc(F)c(F)c1 ZINC001618740606 1073486208 /nfs/dbraw/zinc/48/62/08/1073486208.db2.gz JZTCZWLPNHOUBQ-UHFFFAOYSA-N 1 2 439.463 0.526 20 0 ICADLO CNC(=O)CCCN(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CCOC[C@@H]1C ZINC001618742898 1073486274 /nfs/dbraw/zinc/48/62/74/1073486274.db2.gz AEUBIELNEOYTNJ-HNNXBMFYSA-N 1 2 447.540 0.689 20 0 ICADLO CNC(=O)CCCN(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001618742898 1073486264 /nfs/dbraw/zinc/48/62/64/1073486264.db2.gz AEUBIELNEOYTNJ-HNNXBMFYSA-N 1 2 447.540 0.689 20 0 ICADLO CNC(=O)CCCN(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+]1CCOC[C@H]1C ZINC001618742903 1073486184 /nfs/dbraw/zinc/48/61/84/1073486184.db2.gz AEUBIELNEOYTNJ-OAHLLOKOSA-N 1 2 447.540 0.689 20 0 ICADLO CNC(=O)CCCN(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+]1CCOC[C@H]1C ZINC001618742903 1073486177 /nfs/dbraw/zinc/48/61/77/1073486177.db2.gz AEUBIELNEOYTNJ-OAHLLOKOSA-N 1 2 447.540 0.689 20 0 ICADLO CNC(=O)CCCN(C)c1nnc([C@H]2CCCCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001618746838 1073488294 /nfs/dbraw/zinc/48/82/94/1073488294.db2.gz RRFHDURVRWNROH-GOSISDBHSA-N 1 2 435.573 0.646 20 0 ICADLO CNC(=O)CCCN(C)c1nnc([C@@H]2CCCCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001618746840 1073488342 /nfs/dbraw/zinc/48/83/42/1073488342.db2.gz RRFHDURVRWNROH-SFHVURJKSA-N 1 2 435.573 0.646 20 0 ICADLO CNC(=O)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001618752897 1073489772 /nfs/dbraw/zinc/48/97/72/1073489772.db2.gz ZFXKCHPFXHFKQV-UHFFFAOYSA-N 1 2 444.540 0.609 20 0 ICADLO CNC(=O)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001618752897 1073489766 /nfs/dbraw/zinc/48/97/66/1073489766.db2.gz ZFXKCHPFXHFKQV-UHFFFAOYSA-N 1 2 444.540 0.609 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2[nH+]1 ZINC001618755120 1073490271 /nfs/dbraw/zinc/49/02/71/1073490271.db2.gz CRQFWTGHMIVRNT-AWEZNQCLSA-N 1 2 448.553 0.351 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2[nH+]1 ZINC001618755121 1073490396 /nfs/dbraw/zinc/49/03/96/1073490396.db2.gz CRQFWTGHMIVRNT-CQSZACIVSA-N 1 2 448.553 0.351 20 0 ICADLO CNC(=O)CCN(C)c1nnc(CCc2ccccc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001618775012 1073495447 /nfs/dbraw/zinc/49/54/47/1073495447.db2.gz IUUFAMVRLLXRGQ-UHFFFAOYSA-N 1 2 441.580 0.800 20 0 ICADLO CNC(=O)CCN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001618780731 1073496957 /nfs/dbraw/zinc/49/69/57/1073496957.db2.gz MKLSTNUJZBSIMZ-QGZVFWFLSA-N 1 2 429.525 0.982 20 0 ICADLO CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001618786107 1073498360 /nfs/dbraw/zinc/49/83/60/1073498360.db2.gz MIYPVBIKUYGICD-HNNXBMFYSA-N 1 2 432.529 0.563 20 0 ICADLO CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001618786108 1073498289 /nfs/dbraw/zinc/49/82/89/1073498289.db2.gz MIYPVBIKUYGICD-OAHLLOKOSA-N 1 2 432.529 0.563 20 0 ICADLO CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001618795943 1073500710 /nfs/dbraw/zinc/50/07/10/1073500710.db2.gz QFUADQLCUDPQQM-INIZCTEOSA-N 1 2 442.568 0.979 20 0 ICADLO CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001618795944 1073500662 /nfs/dbraw/zinc/50/06/62/1073500662.db2.gz QFUADQLCUDPQQM-MRXNPFEDSA-N 1 2 442.568 0.979 20 0 ICADLO CNC(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001618799006 1073501162 /nfs/dbraw/zinc/50/11/62/1073501162.db2.gz AZYDNDMYUWHVIY-KRWDZBQOSA-N 1 2 427.557 0.476 20 0 ICADLO CNC(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001618799008 1073501114 /nfs/dbraw/zinc/50/11/14/1073501114.db2.gz AZYDNDMYUWHVIY-QGZVFWFLSA-N 1 2 427.557 0.476 20 0 ICADLO CNC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001618800065 1073501807 /nfs/dbraw/zinc/50/18/07/1073501807.db2.gz LBRNHRWSQDHQQZ-UHFFFAOYSA-N 1 2 440.552 0.529 20 0 ICADLO CNC(=O)CCn1c(CC(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001618804526 1073504344 /nfs/dbraw/zinc/50/43/44/1073504344.db2.gz HLWWDSOTDIEKEW-IBGZPJMESA-N 1 2 435.617 0.844 20 0 ICADLO CNC(=O)CCn1c(CC(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001618804529 1073504436 /nfs/dbraw/zinc/50/44/36/1073504436.db2.gz HLWWDSOTDIEKEW-LJQANCHMSA-N 1 2 435.617 0.844 20 0 ICADLO CNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2Cc2c[nH+]ccc2OC)CC1 ZINC001618824381 1073511751 /nfs/dbraw/zinc/51/17/51/1073511751.db2.gz PRAOZJPXAWAHKW-HNNXBMFYSA-N 1 2 433.513 0.915 20 0 ICADLO CNC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c[nH+]ccc2OC)CC1 ZINC001618824382 1073511788 /nfs/dbraw/zinc/51/17/88/1073511788.db2.gz PRAOZJPXAWAHKW-OAHLLOKOSA-N 1 2 433.513 0.915 20 0 ICADLO CNc1cc(N2CCC[C@@H]2Cn2c(C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)[nH+]cn1 ZINC001618836851 1073517900 /nfs/dbraw/zinc/51/79/00/1073517900.db2.gz CIUQVISUHUNGHP-GOEBONIOSA-N 1 2 449.585 0.557 20 0 ICADLO CNc1cc(N2CCC[C@@H]2Cn2c(C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)nc[nH+]1 ZINC001618836851 1073517891 /nfs/dbraw/zinc/51/78/91/1073517891.db2.gz CIUQVISUHUNGHP-GOEBONIOSA-N 1 2 449.585 0.557 20 0 ICADLO CNc1cc(N2CCC[C@H]2Cn2c(C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)[nH+]cn1 ZINC001618836852 1073517981 /nfs/dbraw/zinc/51/79/81/1073517981.db2.gz CIUQVISUHUNGHP-HOCLYGCPSA-N 1 2 449.585 0.557 20 0 ICADLO CNc1cc(N2CCC[C@H]2Cn2c(C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)nc[nH+]1 ZINC001618836852 1073517974 /nfs/dbraw/zinc/51/79/74/1073517974.db2.gz CIUQVISUHUNGHP-HOCLYGCPSA-N 1 2 449.585 0.557 20 0 ICADLO CNS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001618840586 1073521594 /nfs/dbraw/zinc/52/15/94/1073521594.db2.gz QUPIZTNHMWQSRJ-UHFFFAOYSA-N 1 2 442.973 0.916 20 0 ICADLO CNS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001618842319 1073523179 /nfs/dbraw/zinc/52/31/79/1073523179.db2.gz PHQPAWBVVAAZPL-UHFFFAOYSA-N 1 2 442.549 0.919 20 0 ICADLO CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001618842387 1073523703 /nfs/dbraw/zinc/52/37/03/1073523703.db2.gz RJRCFLOBCSKNMG-UHFFFAOYSA-N 1 2 442.549 0.913 20 0 ICADLO CNS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC[NH+]1CCOCC1 ZINC001618842892 1073524143 /nfs/dbraw/zinc/52/41/43/1073524143.db2.gz JFXKZMFXCUTEQX-UHFFFAOYSA-N 1 2 447.565 0.744 20 0 ICADLO CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001618843207 1073525248 /nfs/dbraw/zinc/52/52/48/1073525248.db2.gz UERQBHHTPGLXTE-UHFFFAOYSA-N 1 2 448.553 0.451 20 0 ICADLO CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001618843786 1073526081 /nfs/dbraw/zinc/52/60/81/1073526081.db2.gz KQQNAWUOZAABKJ-UHFFFAOYSA-N 1 2 434.570 0.910 20 0 ICADLO CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001618845308 1073529266 /nfs/dbraw/zinc/52/92/66/1073529266.db2.gz YPMPBXLFXGTTHP-HNNXBMFYSA-N 1 2 435.554 0.355 20 0 ICADLO CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001618845309 1073529388 /nfs/dbraw/zinc/52/93/88/1073529388.db2.gz YPMPBXLFXGTTHP-OAHLLOKOSA-N 1 2 435.554 0.355 20 0 ICADLO CNS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1 ZINC001618845744 1073530532 /nfs/dbraw/zinc/53/05/32/1073530532.db2.gz OMIFNJBWOAEYSC-UHFFFAOYSA-N 1 2 440.545 0.326 20 0 ICADLO COC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001618857518 1073536512 /nfs/dbraw/zinc/53/65/12/1073536512.db2.gz AMFCWEYYDRGYBJ-DLBZAZTESA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001618857518 1073536505 /nfs/dbraw/zinc/53/65/05/1073536505.db2.gz AMFCWEYYDRGYBJ-DLBZAZTESA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001618857520 1073536546 /nfs/dbraw/zinc/53/65/46/1073536546.db2.gz AMFCWEYYDRGYBJ-IAGOWNOFSA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001618857520 1073536538 /nfs/dbraw/zinc/53/65/38/1073536538.db2.gz AMFCWEYYDRGYBJ-IAGOWNOFSA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001618857522 1073536275 /nfs/dbraw/zinc/53/62/75/1073536275.db2.gz AMFCWEYYDRGYBJ-IRXDYDNUSA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001618857522 1073536261 /nfs/dbraw/zinc/53/62/61/1073536261.db2.gz AMFCWEYYDRGYBJ-IRXDYDNUSA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001618857524 1073537099 /nfs/dbraw/zinc/53/70/99/1073537099.db2.gz AMFCWEYYDRGYBJ-SJORKVTESA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001618857524 1073537086 /nfs/dbraw/zinc/53/70/86/1073537086.db2.gz AMFCWEYYDRGYBJ-SJORKVTESA-N 1 2 434.541 0.511 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001618861507 1073537494 /nfs/dbraw/zinc/53/74/94/1073537494.db2.gz WSBSCPHMECJUGR-INIZCTEOSA-N 1 2 434.541 0.624 20 0 ICADLO COC(=O)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001618861507 1073537479 /nfs/dbraw/zinc/53/74/79/1073537479.db2.gz WSBSCPHMECJUGR-INIZCTEOSA-N 1 2 434.541 0.624 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001618861508 1073537778 /nfs/dbraw/zinc/53/77/78/1073537778.db2.gz WSBSCPHMECJUGR-MRXNPFEDSA-N 1 2 434.541 0.624 20 0 ICADLO COC(=O)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001618861508 1073537764 /nfs/dbraw/zinc/53/77/64/1073537764.db2.gz WSBSCPHMECJUGR-MRXNPFEDSA-N 1 2 434.541 0.624 20 0 ICADLO COC(=O)N1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001618890322 1073547915 /nfs/dbraw/zinc/54/79/15/1073547915.db2.gz WIZOZQFFALYHEQ-KRWDZBQOSA-N 1 2 449.556 0.476 20 0 ICADLO COC(=O)N1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001618890323 1073548034 /nfs/dbraw/zinc/54/80/34/1073548034.db2.gz WIZOZQFFALYHEQ-QGZVFWFLSA-N 1 2 449.556 0.476 20 0 ICADLO COC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001618891573 1073548008 /nfs/dbraw/zinc/54/80/08/1073548008.db2.gz PTQMAZRUHKOJPS-UHFFFAOYSA-N 1 2 442.524 0.912 20 0 ICADLO COC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001618892023 1073548167 /nfs/dbraw/zinc/54/81/67/1073548167.db2.gz HJHXBWBIRXTXCP-UHFFFAOYSA-N 1 2 430.513 0.814 20 0 ICADLO COC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001618901398 1073551267 /nfs/dbraw/zinc/55/12/67/1073551267.db2.gz NXBWQKWCWLJANV-UHFFFAOYSA-N 1 2 435.573 0.919 20 0 ICADLO COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001618903030 1073551314 /nfs/dbraw/zinc/55/13/14/1073551314.db2.gz ZJJDZRXFOUWGEF-KRWDZBQOSA-N 1 2 429.525 0.873 20 0 ICADLO COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001618903030 1073551306 /nfs/dbraw/zinc/55/13/06/1073551306.db2.gz ZJJDZRXFOUWGEF-KRWDZBQOSA-N 1 2 429.525 0.873 20 0 ICADLO COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001618903031 1073551420 /nfs/dbraw/zinc/55/14/20/1073551420.db2.gz ZJJDZRXFOUWGEF-QGZVFWFLSA-N 1 2 429.525 0.873 20 0 ICADLO COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001618903031 1073551416 /nfs/dbraw/zinc/55/14/16/1073551416.db2.gz ZJJDZRXFOUWGEF-QGZVFWFLSA-N 1 2 429.525 0.873 20 0 ICADLO COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001618903867 1073552060 /nfs/dbraw/zinc/55/20/60/1073552060.db2.gz YDYADKKGXGGDGJ-INIZCTEOSA-N 1 2 435.529 0.010 20 0 ICADLO COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001618903868 1073551912 /nfs/dbraw/zinc/55/19/12/1073551912.db2.gz YDYADKKGXGGDGJ-MRXNPFEDSA-N 1 2 435.529 0.010 20 0 ICADLO COC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001618905163 1073551972 /nfs/dbraw/zinc/55/19/72/1073551972.db2.gz SIXKEVMJPKOQMT-QGZVFWFLSA-N 1 2 435.529 0.182 20 0 ICADLO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC001618915698 1073553115 /nfs/dbraw/zinc/55/31/15/1073553115.db2.gz BYEIUCQNMIOJBP-KRWDZBQOSA-N 1 2 427.299 0.388 20 0 ICADLO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@]1(C(N)=O)CCOC1 ZINC001618915699 1073552953 /nfs/dbraw/zinc/55/29/53/1073552953.db2.gz BYEIUCQNMIOJBP-QGZVFWFLSA-N 1 2 427.299 0.388 20 0 ICADLO COCCNC(=O)c1c(NC(=O)C[NH+]2[C@H](CO)CC[C@H]2CO)sc2c1CCCC2 ZINC001618959967 1073557380 /nfs/dbraw/zinc/55/73/80/1073557380.db2.gz YIZRSIYXKNCHOH-KBPBESRZSA-N 1 2 425.551 0.759 20 0 ICADLO COc1cc(C)nc(N2CCN(c3nnc(C)n3CC[NH+]3CCN(C(C)=O)CC3)CC2)n1 ZINC001619070072 1073570026 /nfs/dbraw/zinc/57/00/26/1073570026.db2.gz MRGHTPGKIYYDNU-UHFFFAOYSA-N 1 2 443.556 0.184 20 0 ICADLO COc1ccc(C[NH+]2CCN(c3nnc(C)n3CCCNS(C)(=O)=O)CC2)cc1F ZINC001619293372 1073580177 /nfs/dbraw/zinc/58/01/77/1073580177.db2.gz ICHURBYPAVEGDW-UHFFFAOYSA-N 1 2 440.545 0.996 20 0 ICADLO COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C)n2CCS(=O)(=O)N(C)C)CC1 ZINC001619301148 1073580243 /nfs/dbraw/zinc/58/02/43/1073580243.db2.gz ZAUAYQQSWJJLTI-UHFFFAOYSA-N 1 2 440.545 0.948 20 0 ICADLO COc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001619323205 1073581586 /nfs/dbraw/zinc/58/15/86/1073581586.db2.gz ZGZMMHRPACMCAY-KRWDZBQOSA-N 1 2 444.536 0.913 20 0 ICADLO COc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001619323209 1073581745 /nfs/dbraw/zinc/58/17/45/1073581745.db2.gz ZGZMMHRPACMCAY-QGZVFWFLSA-N 1 2 444.536 0.913 20 0 ICADLO COc1ccccc1Cc1nnc(N2CCN(C)C(=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001619422392 1073587134 /nfs/dbraw/zinc/58/71/34/1073587134.db2.gz TUSNCAFNMBYRRZ-KRWDZBQOSA-N 1 2 428.537 0.877 20 0 ICADLO COc1ccccc1Cc1nnc(N2CCN(C)C(=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001619422392 1073587127 /nfs/dbraw/zinc/58/71/27/1073587127.db2.gz TUSNCAFNMBYRRZ-KRWDZBQOSA-N 1 2 428.537 0.877 20 0 ICADLO COc1ccccc1Cc1nnc(N2CCN(C)C(=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001619422393 1073587288 /nfs/dbraw/zinc/58/72/88/1073587288.db2.gz TUSNCAFNMBYRRZ-QGZVFWFLSA-N 1 2 428.537 0.877 20 0 ICADLO COc1ccccc1Cc1nnc(N2CCN(C)C(=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001619422393 1073587279 /nfs/dbraw/zinc/58/72/79/1073587279.db2.gz TUSNCAFNMBYRRZ-QGZVFWFLSA-N 1 2 428.537 0.877 20 0 ICADLO COc1ccccc1OCc1nnc(N2CCNC(=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001619453605 1073588178 /nfs/dbraw/zinc/58/81/78/1073588178.db2.gz QHQDLBVZEUYNPI-KRWDZBQOSA-N 1 2 444.536 0.913 20 0 ICADLO COc1ccccc1OCc1nnc(N2CCNC(=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001619453605 1073588166 /nfs/dbraw/zinc/58/81/66/1073588166.db2.gz QHQDLBVZEUYNPI-KRWDZBQOSA-N 1 2 444.536 0.913 20 0 ICADLO COc1ccccc1OCc1nnc(N2CCNC(=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001619453608 1073588149 /nfs/dbraw/zinc/58/81/49/1073588149.db2.gz QHQDLBVZEUYNPI-QGZVFWFLSA-N 1 2 444.536 0.913 20 0 ICADLO COc1ccccc1OCc1nnc(N2CCNC(=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001619453608 1073588142 /nfs/dbraw/zinc/58/81/42/1073588142.db2.gz QHQDLBVZEUYNPI-QGZVFWFLSA-N 1 2 444.536 0.913 20 0 ICADLO COc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001619453989 1073588257 /nfs/dbraw/zinc/58/82/57/1073588257.db2.gz QCZZIJHEJSWGON-KRWDZBQOSA-N 1 2 444.536 0.865 20 0 ICADLO COc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001619453990 1073588288 /nfs/dbraw/zinc/58/82/88/1073588288.db2.gz QCZZIJHEJSWGON-QGZVFWFLSA-N 1 2 444.536 0.865 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001619467714 1073589014 /nfs/dbraw/zinc/58/90/14/1073589014.db2.gz CRDGNJUTSGQEET-HNNXBMFYSA-N 1 2 436.538 0.882 20 0 ICADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001619467715 1073588793 /nfs/dbraw/zinc/58/87/93/1073588793.db2.gz CRDGNJUTSGQEET-OAHLLOKOSA-N 1 2 436.538 0.882 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001619471579 1073589577 /nfs/dbraw/zinc/58/95/77/1073589577.db2.gz JBBGOWMHQJZTGW-UONOGXRCSA-N 1 2 434.522 0.299 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001619471580 1073589381 /nfs/dbraw/zinc/58/93/81/1073589381.db2.gz JBBGOWMHQJZTGW-ZIAGYGMSSA-N 1 2 434.522 0.299 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001619471985 1073589536 /nfs/dbraw/zinc/58/95/36/1073589536.db2.gz OGXSZCMKIXQTFI-KBPBESRZSA-N 1 2 434.522 0.299 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001619471987 1073589667 /nfs/dbraw/zinc/58/96/67/1073589667.db2.gz OGXSZCMKIXQTFI-KGLIPLIRSA-N 1 2 434.522 0.299 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001619471988 1073589562 /nfs/dbraw/zinc/58/95/62/1073589562.db2.gz OGXSZCMKIXQTFI-UONOGXRCSA-N 1 2 434.522 0.299 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001619471989 1073589771 /nfs/dbraw/zinc/58/97/71/1073589771.db2.gz OGXSZCMKIXQTFI-ZIAGYGMSSA-N 1 2 434.522 0.299 20 0 ICADLO COc1cc[nH+]cc1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001619472400 1073589459 /nfs/dbraw/zinc/58/94/59/1073589459.db2.gz UPCDHZPMASJKFB-HNNXBMFYSA-N 1 2 434.522 0.476 20 0 ICADLO COc1cc[nH+]cc1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001619472401 1073589730 /nfs/dbraw/zinc/58/97/30/1073589730.db2.gz UPCDHZPMASJKFB-OAHLLOKOSA-N 1 2 434.522 0.476 20 0 ICADLO COc1cc[nH+]cc1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1 ZINC001619472430 1073589792 /nfs/dbraw/zinc/58/97/92/1073589792.db2.gz VZDOHUNWGFPZSZ-UHFFFAOYSA-N 1 2 427.509 0.911 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001619472543 1073589689 /nfs/dbraw/zinc/58/96/89/1073589689.db2.gz UXAKKLRBNTYEOA-KBPBESRZSA-N 1 2 434.522 0.334 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001619472544 1073589651 /nfs/dbraw/zinc/58/96/51/1073589651.db2.gz UXAKKLRBNTYEOA-KGLIPLIRSA-N 1 2 434.522 0.334 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001619472545 1073589497 /nfs/dbraw/zinc/58/94/97/1073589497.db2.gz UXAKKLRBNTYEOA-UONOGXRCSA-N 1 2 434.522 0.334 20 0 ICADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001619472546 1073589608 /nfs/dbraw/zinc/58/96/08/1073589608.db2.gz UXAKKLRBNTYEOA-ZIAGYGMSSA-N 1 2 434.522 0.334 20 0 ICADLO COC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001619598726 1073604762 /nfs/dbraw/zinc/60/47/62/1073604762.db2.gz AEHARBBBRCQCGD-GOSISDBHSA-N 1 2 445.568 0.689 20 0 ICADLO COC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001619598727 1073604656 /nfs/dbraw/zinc/60/46/56/1073604656.db2.gz AEHARBBBRCQCGD-SFHVURJKSA-N 1 2 445.568 0.689 20 0 ICADLO COC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)OC ZINC001619599682 1073605243 /nfs/dbraw/zinc/60/52/43/1073605243.db2.gz IOMIYTBWOVCQBI-AEFFLSMTSA-N 1 2 445.568 0.734 20 0 ICADLO COC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)OC ZINC001619599683 1073605180 /nfs/dbraw/zinc/60/51/80/1073605180.db2.gz IOMIYTBWOVCQBI-FUHWJXTLSA-N 1 2 445.568 0.734 20 0 ICADLO COC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)OC ZINC001619599684 1073605160 /nfs/dbraw/zinc/60/51/60/1073605160.db2.gz IOMIYTBWOVCQBI-SJLPKXTDSA-N 1 2 445.568 0.734 20 0 ICADLO COC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)OC ZINC001619599685 1073605276 /nfs/dbraw/zinc/60/52/76/1073605276.db2.gz IOMIYTBWOVCQBI-WMZOPIPTSA-N 1 2 445.568 0.734 20 0 ICADLO COC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1)OC ZINC001619603658 1073606755 /nfs/dbraw/zinc/60/67/55/1073606755.db2.gz XXFUDMWWFKWWSO-DLBZAZTESA-N 1 2 429.587 0.620 20 0 ICADLO COC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1)OC ZINC001619603659 1073606631 /nfs/dbraw/zinc/60/66/31/1073606631.db2.gz XXFUDMWWFKWWSO-IAGOWNOFSA-N 1 2 429.587 0.620 20 0 ICADLO COC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1)OC ZINC001619603660 1073606726 /nfs/dbraw/zinc/60/67/26/1073606726.db2.gz XXFUDMWWFKWWSO-IRXDYDNUSA-N 1 2 429.587 0.620 20 0 ICADLO COC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1)OC ZINC001619603661 1073606617 /nfs/dbraw/zinc/60/66/17/1073606617.db2.gz XXFUDMWWFKWWSO-SJORKVTESA-N 1 2 429.587 0.620 20 0 ICADLO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001620490997 1072035716 /nfs/dbraw/zinc/03/57/16/1072035716.db2.gz UCECKOBZBHXUBA-IIZOCFLVSA-N 1 2 441.575 0.631 20 0 ICADLO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001620490997 1072035712 /nfs/dbraw/zinc/03/57/12/1072035712.db2.gz UCECKOBZBHXUBA-IIZOCFLVSA-N 1 2 441.575 0.631 20 0 ICADLO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001620490998 1072036166 /nfs/dbraw/zinc/03/61/66/1072036166.db2.gz UCECKOBZBHXUBA-BWTHXVPBSA-N 1 2 441.575 0.631 20 0 ICADLO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001620490998 1072036149 /nfs/dbraw/zinc/03/61/49/1072036149.db2.gz UCECKOBZBHXUBA-BWTHXVPBSA-N 1 2 441.575 0.631 20 0 ICADLO COc1ccc(NC(=O)C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1S(=O)(=O)N(C)C ZINC001620491188 1072036253 /nfs/dbraw/zinc/03/62/53/1072036253.db2.gz CCJXYFPQEROBDH-KDURUIRLSA-N 1 2 429.539 0.197 20 0 ICADLO COc1ccc(NC(=O)C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1S(=O)(=O)N(C)C ZINC001620491188 1072036239 /nfs/dbraw/zinc/03/62/39/1072036239.db2.gz CCJXYFPQEROBDH-KDURUIRLSA-N 1 2 429.539 0.197 20 0 ICADLO Cn1[nH]c(=O)c2c1C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c3ccccc3F)CC1)CC2 ZINC001620499888 1072036367 /nfs/dbraw/zinc/03/63/67/1072036367.db2.gz KCPPRQAEBREMNS-UHFFFAOYSA-N 1 2 437.497 0.156 20 0 ICADLO Cn1[nH]c(=O)c2c1C[N@H+](CC(=O)N1CCN(S(=O)(=O)c3ccccc3F)CC1)CC2 ZINC001620499888 1072036358 /nfs/dbraw/zinc/03/63/58/1072036358.db2.gz KCPPRQAEBREMNS-UHFFFAOYSA-N 1 2 437.497 0.156 20 0 ICADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(O)(c2ccnn2C)CC1 ZINC001620549831 1072036819 /nfs/dbraw/zinc/03/68/19/1072036819.db2.gz SBDYEXVUQBWZJP-AWEZNQCLSA-N 1 2 433.534 0.329 20 0 ICADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(O)(c2ccnn2C)CC1 ZINC001620549832 1072037008 /nfs/dbraw/zinc/03/70/08/1072037008.db2.gz SBDYEXVUQBWZJP-CQSZACIVSA-N 1 2 433.534 0.329 20 0 ICADLO COc1ccc(NC(=O)C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)cc1S(=O)(=O)N(C)C ZINC001620630708 1072038498 /nfs/dbraw/zinc/03/84/98/1072038498.db2.gz DCAGVFNHEJEVOD-HNNXBMFYSA-N 1 2 440.522 0.704 20 0 ICADLO COc1ccc(NC(=O)C[NH+]2CCC([C@H]3COC(=O)N3)CC2)cc1S(=O)(=O)N(C)C ZINC001620630709 1072038149 /nfs/dbraw/zinc/03/81/49/1072038149.db2.gz DCAGVFNHEJEVOD-OAHLLOKOSA-N 1 2 440.522 0.704 20 0 ICADLO COc1nsc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1Br ZINC001620790891 1072037077 /nfs/dbraw/zinc/03/70/77/1072037077.db2.gz SGZMIZZFAUODHS-NXEZZACHSA-N 1 2 426.358 0.502 20 0 ICADLO COc1nsc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1Br ZINC001620790892 1072036954 /nfs/dbraw/zinc/03/69/54/1072036954.db2.gz SGZMIZZFAUODHS-UWVGGRQHSA-N 1 2 426.358 0.502 20 0 ICADLO COc1nsc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1Br ZINC001620790893 1072036674 /nfs/dbraw/zinc/03/66/74/1072036674.db2.gz SGZMIZZFAUODHS-VHSXEESVSA-N 1 2 426.358 0.502 20 0 ICADLO COc1nsc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1Br ZINC001620790894 1072036720 /nfs/dbraw/zinc/03/67/20/1072036720.db2.gz SGZMIZZFAUODHS-ZJUUUORDSA-N 1 2 426.358 0.502 20 0 ICADLO CC(C)(C)OC(=O)N1CCN([C@H](C[NH2+]Cc2cn(CC(N)=O)nn2)C(F)(F)F)CC1 ZINC001620912547 1072358516 /nfs/dbraw/zinc/35/85/16/1072358516.db2.gz XTNYJJQWXQMYBK-CYBMUJFWSA-N 1 2 435.451 0.337 20 0 ICADLO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH2+]Cc2cn(CC(N)=O)nn2)C(F)(F)F)CC1 ZINC001620912548 1072358712 /nfs/dbraw/zinc/35/87/12/1072358712.db2.gz XTNYJJQWXQMYBK-ZDUSSCGKSA-N 1 2 435.451 0.337 20 0 ICADLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cnnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001621024121 1072630259 /nfs/dbraw/zinc/63/02/59/1072630259.db2.gz KPANIUZBBKWOSK-HNNXBMFYSA-N 1 2 443.574 0.430 20 0 ICADLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cnnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001621024122 1072630318 /nfs/dbraw/zinc/63/03/18/1072630318.db2.gz KPANIUZBBKWOSK-OAHLLOKOSA-N 1 2 443.574 0.430 20 0 ICADLO CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001621335607 1072667539 /nfs/dbraw/zinc/66/75/39/1072667539.db2.gz XIWFNVLKSZFHSG-INIZCTEOSA-N 1 2 433.571 0.638 20 0 ICADLO