smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]cc2n1CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1)C2 ZINC001164441468 718987996 /nfs/dbraw/zinc/98/79/96/718987996.db2.gz ZSIJWBMFJYVXGC-UHFFFAOYSA-N 1 1 433.846 3.557 20 0 IHADMO Cc1cc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164650034 719317182 /nfs/dbraw/zinc/31/71/82/719317182.db2.gz AHVNMQAEIMSSKJ-UHFFFAOYSA-N 1 1 425.968 3.902 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164652092 719326381 /nfs/dbraw/zinc/32/63/81/719326381.db2.gz BGGDCQFVHFKGFV-OUMCCJGNSA-N 1 1 426.605 3.529 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(COc4cccnc4)c3C2)nc1 ZINC001164654738 719327968 /nfs/dbraw/zinc/32/79/68/719327968.db2.gz MSNHJNWPLKWICQ-QFIPXVFZSA-N 1 1 433.560 3.604 20 0 IHADMO COc1cc(Oc2ccnc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2)ccc1OCc1ccccc1 ZINC001164674273 719421179 /nfs/dbraw/zinc/42/11/79/719421179.db2.gz VQRQDXBQLQQPKK-DHLKQENFSA-N 1 1 447.535 3.981 20 0 IHADMO C[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164670174 719443758 /nfs/dbraw/zinc/44/37/58/719443758.db2.gz NRMHWYUMYSIPGM-VQTJNVASSA-N 1 1 429.549 3.940 20 0 IHADMO CCOC(=O)c1cnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c(OC)c1 ZINC001164692104 719810311 /nfs/dbraw/zinc/81/03/11/719810311.db2.gz GAWUBJFSIZNVNW-UHFFFAOYSA-N 1 1 430.574 3.667 20 0 IHADMO CC(C)(C)OC(=O)Nc1nccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164694926 719889988 /nfs/dbraw/zinc/88/99/88/719889988.db2.gz HKEIIGNIZQIKDQ-UHFFFAOYSA-N 1 1 445.589 3.757 20 0 IHADMO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696232 719896936 /nfs/dbraw/zinc/89/69/36/719896936.db2.gz CWOWSDNSVZIPMT-UHFFFAOYSA-N 1 1 444.935 3.616 20 0 IHADMO Nc1cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cnc1Cl ZINC001164698232 719897175 /nfs/dbraw/zinc/89/71/75/719897175.db2.gz QAFAXVWBSQVXEV-UHFFFAOYSA-N 1 1 428.936 3.795 20 0 IHADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@@H]2CCCO[C@@H]12 ZINC001164713183 720063695 /nfs/dbraw/zinc/06/36/95/720063695.db2.gz NFOHGRYYQFCPCQ-JBYIUTFZSA-N 1 1 442.629 3.939 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cn1)CC2 ZINC001164711656 720098984 /nfs/dbraw/zinc/09/89/84/720098984.db2.gz SFLAOCOUKOBTHX-KRWDZBQOSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164710299 720099854 /nfs/dbraw/zinc/09/98/54/720099854.db2.gz IIMLWWDLPSFNSE-LJQANCHMSA-N 1 1 427.980 3.910 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(OC)cc31)CC2 ZINC001164710688 720103970 /nfs/dbraw/zinc/10/39/70/720103970.db2.gz LCCZPFJKWBDQDB-HXUWFJFHSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)ccc31)CC2 ZINC001164716276 720118115 /nfs/dbraw/zinc/11/81/15/720118115.db2.gz KBOVFIKFRDWZQF-HXUWFJFHSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3ccc(OC)cc3n1)CC2 ZINC001164716966 720118597 /nfs/dbraw/zinc/11/85/97/720118597.db2.gz MNDBRRDNLQAOHA-FQEVSTJZSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3c(OC)n1)CC2 ZINC001164714232 720125405 /nfs/dbraw/zinc/12/54/05/720125405.db2.gz AXJKCQBDCAOUDS-HXUWFJFHSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164818378 720154057 /nfs/dbraw/zinc/15/40/57/720154057.db2.gz SLNIGSINRMCRIT-KDOFPFPSSA-N 1 1 435.346 3.599 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)C2 ZINC001164816868 720172961 /nfs/dbraw/zinc/17/29/61/720172961.db2.gz NMHCEFUEFGRYQQ-NLFFAJNJSA-N 1 1 433.556 3.778 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)C2 ZINC001164812999 720192372 /nfs/dbraw/zinc/19/23/72/720192372.db2.gz BJEIMSPNZGHBPP-NBGIEHNGSA-N 1 1 438.572 3.771 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164815256 720202292 /nfs/dbraw/zinc/20/22/92/720202292.db2.gz XZYSAUMOCIKSAI-YJBOKZPZSA-N 1 1 434.795 3.883 20 0 IHADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164816714 720244650 /nfs/dbraw/zinc/24/46/50/720244650.db2.gz LRMFBAXTDZRIRM-HNNXBMFYSA-N 1 1 433.000 3.759 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc3cccc(F)c31)CCC2 ZINC001164818340 720248454 /nfs/dbraw/zinc/24/84/54/720248454.db2.gz YPRCHGRBBJLNTR-UHFFFAOYSA-N 1 1 429.927 3.835 20 0 IHADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164725466 720392338 /nfs/dbraw/zinc/39/23/38/720392338.db2.gz NOLJDHQGSKKBAK-GOTSBHOMSA-N 1 1 428.515 3.867 20 0 IHADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164725396 720394440 /nfs/dbraw/zinc/39/44/40/720394440.db2.gz NFNHDCMAVNAZSA-PKTZIBPZSA-N 1 1 428.515 3.867 20 0 IHADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164723926 720405918 /nfs/dbraw/zinc/40/59/18/720405918.db2.gz ICUMPZXOJJAECS-ROUUACIJSA-N 1 1 426.883 3.705 20 0 IHADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)c1 ZINC001164722580 720407354 /nfs/dbraw/zinc/40/73/54/720407354.db2.gz DNRVXJAHPQTPLW-MSOLQXFVSA-N 1 1 426.883 3.705 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729299 720432502 /nfs/dbraw/zinc/43/25/02/720432502.db2.gz GUMIVMBZELMIJQ-ZWKOTPCHSA-N 1 1 442.901 3.985 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729299 720432516 /nfs/dbraw/zinc/43/25/16/720432516.db2.gz GUMIVMBZELMIJQ-ZWKOTPCHSA-N 1 1 442.901 3.985 20 0 IHADMO c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164727022 720455919 /nfs/dbraw/zinc/45/59/19/720455919.db2.gz CTVYDPWSOMAHIL-VXKWHMMOSA-N 1 1 429.524 3.553 20 0 IHADMO O=C(C[C@@H]1OC[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@H]12)N1CCCCC1 ZINC001164834127 720500600 /nfs/dbraw/zinc/50/06/00/720500600.db2.gz RWRKYKCQFODCMI-ACRUOGEOSA-N 1 1 447.023 3.575 20 0 IHADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164833658 720511147 /nfs/dbraw/zinc/51/11/47/720511147.db2.gz DLTDTJZTPMJSPJ-QWFCFKBJSA-N 1 1 445.995 3.794 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)CC[C@@H]21 ZINC001164834415 720520826 /nfs/dbraw/zinc/52/08/26/720520826.db2.gz GCFYLBUADGGIDQ-DZKIICNBSA-N 1 1 445.345 3.903 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164842554 720528536 /nfs/dbraw/zinc/52/85/36/720528536.db2.gz YHXMNBXDMIWTHA-AABGKKOBSA-N 1 1 437.979 3.766 20 0 IHADMO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c(Cl)nc2c1 ZINC001164835827 720532234 /nfs/dbraw/zinc/53/22/34/720532234.db2.gz IBUOTFYYULXPDT-CBGDNZLLSA-N 1 1 440.979 3.866 20 0 IHADMO COc1cc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1OC ZINC001164834582 720551730 /nfs/dbraw/zinc/55/17/30/720551730.db2.gz FAQQIQZSGZKADN-TUNNFDKTSA-N 1 1 435.572 3.826 20 0 IHADMO COc1cc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1OC ZINC001164834582 720551735 /nfs/dbraw/zinc/55/17/35/720551735.db2.gz FAQQIQZSGZKADN-TUNNFDKTSA-N 1 1 435.572 3.826 20 0 IHADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)s1 ZINC001164842150 720553967 /nfs/dbraw/zinc/55/39/67/720553967.db2.gz WZSDOUDUQSKAQF-ARFHVFGLSA-N 1 1 431.997 3.622 20 0 IHADMO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c21 ZINC001164835344 720553988 /nfs/dbraw/zinc/55/39/88/720553988.db2.gz GVLGIDLNDAYQFC-ZHALLVOQSA-N 1 1 440.979 3.866 20 0 IHADMO COc1cc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2cc1OC ZINC001164838954 720561483 /nfs/dbraw/zinc/56/14/83/720561483.db2.gz OYKSYHLPKMBJIW-TUNNFDKTSA-N 1 1 435.572 3.826 20 0 IHADMO CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncn1 ZINC001164840153 720573604 /nfs/dbraw/zinc/57/36/04/720573604.db2.gz RWQOEUGKWYDCSI-YPAWHYETSA-N 1 1 425.625 3.677 20 0 IHADMO COc1ccccc1-c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nn1 ZINC001164835253 720605511 /nfs/dbraw/zinc/60/55/11/720605511.db2.gz AUGPPODDPAXUPI-MIZPHKNDSA-N 1 1 432.572 3.727 20 0 IHADMO COc1ccc(-c2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ncn2)cc1 ZINC001164841223 720613675 /nfs/dbraw/zinc/61/36/75/720613675.db2.gz RSYLFYBKQHHYOJ-ZFGGDYGUSA-N 1 1 432.572 3.727 20 0 IHADMO COc1ccccc1-c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncn1 ZINC001164844137 720613768 /nfs/dbraw/zinc/61/37/68/720613768.db2.gz YZNCWWSDPDOREO-SXWKCWPCSA-N 1 1 432.572 3.727 20 0 IHADMO Cc1nc(-c2ccncc2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164835983 720624472 /nfs/dbraw/zinc/62/44/72/720624472.db2.gz DLJNZUYBFACVSZ-DNVJHFABSA-N 1 1 431.588 3.730 20 0 IHADMO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc21 ZINC001164837216 720626891 /nfs/dbraw/zinc/62/68/91/720626891.db2.gz HPUMSVYKCYNLIV-SELNLUPBSA-N 1 1 433.556 3.596 20 0 IHADMO c1csc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)c1 ZINC001164741569 720656712 /nfs/dbraw/zinc/65/67/12/720656712.db2.gz UGPVODYCMZFCRN-GJZGRUSLSA-N 1 1 436.566 3.552 20 0 IHADMO CCOC(=O)c1cnc2cc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)[nH]cc1-2 ZINC001164838837 720708849 /nfs/dbraw/zinc/70/88/49/720708849.db2.gz JHRMSXODFHEDTN-FQEVSTJZSA-N 1 1 448.567 4.000 20 0 IHADMO CCOC(=O)c1cnc2cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH]cc1-2 ZINC001164838837 720708856 /nfs/dbraw/zinc/70/88/56/720708856.db2.gz JHRMSXODFHEDTN-FQEVSTJZSA-N 1 1 448.567 4.000 20 0 IHADMO CC[C@@H]1N(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CCC[C@@]12CCC(=O)N2 ZINC001164846201 720755269 /nfs/dbraw/zinc/75/52/69/720755269.db2.gz IGTWWQKUPCRASR-GAJHUEQPSA-N 1 1 427.618 3.932 20 0 IHADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746732 720802505 /nfs/dbraw/zinc/80/25/05/720802505.db2.gz MWKCPVUMLXXPRJ-HUUCEWRRSA-N 1 1 431.874 3.607 20 0 IHADMO Cc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746801 720822338 /nfs/dbraw/zinc/82/23/38/720822338.db2.gz ZDPSVQMGVOEAQY-QWFCFKBJSA-N 1 1 437.979 3.563 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3c(Cl)nc(Cl)c(Cl)c3Cl)CC[C@H]2C1 ZINC001164854720 720845975 /nfs/dbraw/zinc/84/59/75/720845975.db2.gz RSWBMMMVIKSRDI-QWRGUYRKSA-N 1 1 429.175 3.869 20 0 IHADMO FC(F)c1nc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164751097 720850945 /nfs/dbraw/zinc/85/09/45/720850945.db2.gz YMGSDLDLMQUYJZ-SQGPQFPESA-N 1 1 439.514 3.538 20 0 IHADMO CC(C)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C(C)(C)C)n1 ZINC001164751912 720852141 /nfs/dbraw/zinc/85/21/41/720852141.db2.gz RONWGOLZDLUDCK-RZUBCFFCSA-N 1 1 437.636 3.868 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753060 720857795 /nfs/dbraw/zinc/85/77/95/720857795.db2.gz VUOJMOZQNUBGQF-BGWNEDDSSA-N 1 1 447.562 3.562 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(c3c(OC)ccc4c(Cl)cc(Cl)nc43)CC[C@@H]2C1 ZINC001164854013 720864856 /nfs/dbraw/zinc/86/48/56/720864856.db2.gz HZLIEEIMOMHAEW-RDTXWAMCSA-N 1 1 440.371 3.724 20 0 IHADMO c1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747937 720872716 /nfs/dbraw/zinc/87/27/16/720872716.db2.gz CPKULKUBRBBLGA-BKMJKUGQSA-N 1 1 429.568 3.780 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nnc(-c4ccc(C)cc4)c4ccccc43)CC[C@@H]2C1 ZINC001164853314 720873525 /nfs/dbraw/zinc/87/35/25/720873525.db2.gz BTBPZJWIBNDMKW-ZJSXRUAMSA-N 1 1 432.568 3.779 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)CC[C@H]2C1 ZINC001164854676 720883266 /nfs/dbraw/zinc/88/32/66/720883266.db2.gz FTHZDFPVWXLXLI-YJBOKZPZSA-N 1 1 449.020 3.521 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)CC[C@H]2C1 ZINC001164864991 720888269 /nfs/dbraw/zinc/88/82/69/720888269.db2.gz XQVCYPLBWRIFPY-KBXCAEBGSA-N 1 1 425.907 3.648 20 0 IHADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)c1 ZINC001164864444 720888716 /nfs/dbraw/zinc/88/87/16/720888716.db2.gz VTBMFPHMWXKPDZ-WIYYLYMNSA-N 1 1 446.979 3.658 20 0 IHADMO Cc1[nH]c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164753969 720892035 /nfs/dbraw/zinc/89/20/35/720892035.db2.gz HZZNKGIJWKYTHQ-ATIYNZHBSA-N 1 1 446.599 3.725 20 0 IHADMO Fc1ccc2cnnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755593 720893104 /nfs/dbraw/zinc/89/31/04/720893104.db2.gz MATVFZBOIQMKDT-NVQXNPDNSA-N 1 1 447.558 3.919 20 0 IHADMO COc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164754530 720897732 /nfs/dbraw/zinc/89/77/32/720897732.db2.gz JFOHYAFFAUNFAM-GBXCKJPGSA-N 1 1 442.991 3.894 20 0 IHADMO 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CCn1nnc2c1CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)[C@@H]2COCc1ccccc1 ZINC001164764001 721049143 /nfs/dbraw/zinc/04/91/43/721049143.db2.gz AHYPIKVKWHGSAH-HSZRJFAPSA-N 1 1 432.572 3.608 20 0 IHADMO Clc1cccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866717 721078765 /nfs/dbraw/zinc/07/87/65/721078765.db2.gz UTCMFFNJPXYZCZ-HOTGVXAUSA-N 1 1 430.339 3.811 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)C[C@@H]3C2)cn1 ZINC001164771597 721081944 /nfs/dbraw/zinc/08/19/44/721081944.db2.gz SGGNPMPLCOWENM-CVEARBPZSA-N 1 1 432.906 3.520 20 0 IHADMO Clc1cc2c(Cl)ccnc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865185 721083507 /nfs/dbraw/zinc/08/35/07/721083507.db2.gz JLCFOWLQEXYGRA-JKSUJKDBSA-N 1 1 430.339 3.811 20 0 IHADMO Clc1cccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164865799 721087056 /nfs/dbraw/zinc/08/70/56/721087056.db2.gz PPCIWUNEWKVLOD-HOTGVXAUSA-N 1 1 430.339 3.811 20 0 IHADMO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164874480 721162127 /nfs/dbraw/zinc/16/21/27/721162127.db2.gz KCCZMJPLFXIWFQ-OALUTQOASA-N 1 1 439.922 3.811 20 0 IHADMO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164878494 721163037 /nfs/dbraw/zinc/16/30/37/721163037.db2.gz QHRRXRYWPKZLIJ-OALUTQOASA-N 1 1 439.922 3.811 20 0 IHADMO Clc1cccc2nc(Cl)c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc12 ZINC001164872185 721178918 /nfs/dbraw/zinc/17/89/18/721178918.db2.gz GUNFASILDKOWSM-HOTGVXAUSA-N 1 1 430.339 3.811 20 0 IHADMO FC(F)(Sc1ccc(Cl)nc1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868260 721188998 /nfs/dbraw/zinc/18/89/98/721188998.db2.gz LJLNTONEJKFBDT-HZPDHXFCSA-N 1 1 426.920 3.748 20 0 IHADMO Clc1ccc2c(Cl)ncnc2c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871374 721189806 /nfs/dbraw/zinc/18/98/06/721189806.db2.gz YSXXXXXBTCTUNN-CVEARBPZSA-N 1 1 430.339 3.811 20 0 IHADMO 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/nfs/dbraw/zinc/42/21/02/721422102.db2.gz SSELRNJUYJEBJO-YADARESESA-N 1 1 444.023 3.665 20 0 IHADMO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164897816 721425047 /nfs/dbraw/zinc/42/50/47/721425047.db2.gz UTEXWTJUMJNGIH-GBXCKJPGSA-N 1 1 429.008 3.962 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164896832 721433337 /nfs/dbraw/zinc/43/33/37/721433337.db2.gz SDMPUUOCFHNJPQ-MBSDFSHPSA-N 1 1 436.044 3.501 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5cccc(Cl)c5)ncn4)C3)O2)CC1 ZINC001164891784 721438024 /nfs/dbraw/zinc/43/80/24/721438024.db2.gz HKUVMRHIHOCZCG-ZJSXRUAMSA-N 1 1 442.007 3.562 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(C3CC3)n1)CC2 ZINC001164788619 721460581 /nfs/dbraw/zinc/46/05/81/721460581.db2.gz UUUWPTUPGXTOSO-IBGZPJMESA-N 1 1 435.012 3.741 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nncc3ccc(F)cc31)CC2 ZINC001164789348 721461445 /nfs/dbraw/zinc/46/14/45/721461445.db2.gz 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Cc1cc(NC(=O)c2cccnc2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)no1 ZINC001164796324 721499720 /nfs/dbraw/zinc/49/97/20/721499720.db2.gz QCAALGGQGNUKRA-UHFFFAOYSA-N 1 1 446.555 3.906 20 0 IHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164796354 721500897 /nfs/dbraw/zinc/50/08/97/721500897.db2.gz QZUUOOIVLHIQFT-UHFFFAOYSA-N 1 1 429.568 3.568 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164897617 721502184 /nfs/dbraw/zinc/50/21/84/721502184.db2.gz NLDUJFMOTHXGRL-FCHUYYIVSA-N 1 1 428.621 3.776 20 0 IHADMO COc1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164899036 721508814 /nfs/dbraw/zinc/50/88/14/721508814.db2.gz JRVVMWWSLODNIS-CRAIPNDOSA-N 1 1 428.895 3.773 20 0 IHADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900347 721512703 /nfs/dbraw/zinc/51/27/03/721512703.db2.gz QWAGGRNJGYSKHT-AEFFLSMTSA-N 1 1 433.911 3.701 20 0 IHADMO COCc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164897068 721514168 /nfs/dbraw/zinc/51/41/68/721514168.db2.gz DNHYSTOGWVGBDA-FYYLOGMGSA-N 1 1 434.515 3.771 20 0 IHADMO CSc1nc2sccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164803004 721532276 /nfs/dbraw/zinc/53/22/76/721532276.db2.gz HDIYXRCFGDVOBE-FGTMMUONSA-N 1 1 427.599 3.676 20 0 IHADMO CSc1nc2sccc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164803004 721532279 /nfs/dbraw/zinc/53/22/79/721532279.db2.gz HDIYXRCFGDVOBE-FGTMMUONSA-N 1 1 427.599 3.676 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164801586 721532895 /nfs/dbraw/zinc/53/28/95/721532895.db2.gz FTTSWDBFWAARAR-VBQJREDUSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164801586 721532900 /nfs/dbraw/zinc/53/29/00/721532900.db2.gz FTTSWDBFWAARAR-VBQJREDUSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(F)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164806027 721533281 /nfs/dbraw/zinc/53/32/81/721533281.db2.gz NHZQKUDLDMXLBU-VAMGGRTRSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(F)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164806027 721533287 /nfs/dbraw/zinc/53/32/87/721533287.db2.gz NHZQKUDLDMXLBU-VAMGGRTRSA-N 1 1 427.911 3.686 20 0 IHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911332 721539715 /nfs/dbraw/zinc/53/97/15/721539715.db2.gz WIBMMGZPTJMSRF-ICSRJNTNSA-N 1 1 446.954 3.698 20 0 IHADMO COc1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164904717 721539965 /nfs/dbraw/zinc/53/99/65/721539965.db2.gz GBCFYCIQPPVDTJ-ZBFHGGJFSA-N 1 1 427.854 3.770 20 0 IHADMO CC(C)(C)c1noc(-c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2)n1 ZINC001164912309 721549109 /nfs/dbraw/zinc/54/91/09/721549109.db2.gz YSGNMMYEZUQMAP-ICSRJNTNSA-N 1 1 437.519 3.910 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)CC[N@H+]3C2)c1 ZINC001164907540 721565193 /nfs/dbraw/zinc/56/51/93/721565193.db2.gz OERYKYKLIJEZQH-HKUYNNGSSA-N 1 1 425.895 3.673 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)CC[N@H+]3C2)c1 ZINC001164907541 721565722 /nfs/dbraw/zinc/56/57/22/721565722.db2.gz OERYKYKLIJEZQH-IEBWSBKVSA-N 1 1 425.895 3.673 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(Oc3cccc(F)c3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809931 721568198 /nfs/dbraw/zinc/56/81/98/721568198.db2.gz YIIVOSUVCTYEKP-PQNGQFLHSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(Oc3cccc(F)c3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809931 721568202 /nfs/dbraw/zinc/56/82/02/721568202.db2.gz YIIVOSUVCTYEKP-PQNGQFLHSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164803927 721576146 /nfs/dbraw/zinc/57/61/46/721576146.db2.gz JURCULKGLCJKMK-ARNLJNQMSA-N 1 1 430.552 3.924 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164803927 721576147 /nfs/dbraw/zinc/57/61/47/721576147.db2.gz JURCULKGLCJKMK-ARNLJNQMSA-N 1 1 430.552 3.924 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164803930 721576422 /nfs/dbraw/zinc/57/64/22/721576422.db2.gz JURCULKGLCJKMK-JBRSBNLGSA-N 1 1 430.552 3.924 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164803930 721576424 /nfs/dbraw/zinc/57/64/24/721576424.db2.gz JURCULKGLCJKMK-JBRSBNLGSA-N 1 1 430.552 3.924 20 0 IHADMO COc1cc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc2cc1OC ZINC001164804090 721582269 /nfs/dbraw/zinc/58/22/69/721582269.db2.gz IHJJXQCRMCOZFI-CZSZKKDXSA-N 1 1 434.540 3.515 20 0 IHADMO COc1cc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc2cc1OC ZINC001164804092 721582381 /nfs/dbraw/zinc/58/23/81/721582381.db2.gz IHJJXQCRMCOZFI-TYBLODHISA-N 1 1 434.540 3.515 20 0 IHADMO FC1(F)CCN(c2ccc(N3CCCCC3)nn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164903383 721583626 /nfs/dbraw/zinc/58/36/26/721583626.db2.gz MUKDXKXYEWSFAT-QFIPXVFZSA-N 1 1 428.531 3.600 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3c(F)cccc3F)nn2)[C@H]2CCCO[C@@H]12 ZINC001164810144 721583858 /nfs/dbraw/zinc/58/38/58/721583858.db2.gz UNQNTWKXIPXUHQ-YZUZCNPQSA-N 1 1 437.494 3.685 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3c(F)cccc3F)nn2)[C@H]2CCCO[C@@H]12 ZINC001164810144 721583861 /nfs/dbraw/zinc/58/38/61/721583861.db2.gz UNQNTWKXIPXUHQ-YZUZCNPQSA-N 1 1 437.494 3.685 20 0 IHADMO Cc1c(Cl)nc(C2CCC2)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164801127 721589141 /nfs/dbraw/zinc/58/91/41/721589141.db2.gz DRYCUHBKOJHUBW-SLFFLAALSA-N 1 1 427.980 3.969 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164811994 721589320 /nfs/dbraw/zinc/58/93/20/721589320.db2.gz ZJEKBFVVJFUGTH-SGNDLWITSA-N 1 1 433.531 3.854 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164811994 721589322 /nfs/dbraw/zinc/58/93/22/721589322.db2.gz ZJEKBFVVJFUGTH-SGNDLWITSA-N 1 1 433.531 3.854 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)nc2C2CC2)[C@@H]2CCCO[C@@H]12 ZINC001164811355 721590144 /nfs/dbraw/zinc/59/01/44/721590144.db2.gz XLZLQHZNHYNCPP-GPMSIDNRSA-N 1 1 434.371 3.924 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)nc2C2CC2)[C@@H]2CCCO[C@@H]12 ZINC001164811355 721590145 /nfs/dbraw/zinc/59/01/45/721590145.db2.gz XLZLQHZNHYNCPP-GPMSIDNRSA-N 1 1 434.371 3.924 20 0 IHADMO FC(F)(c1ccc(Cl)nn1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907094 721691913 /nfs/dbraw/zinc/69/19/13/721691913.db2.gz RLQNETPEEYLOLX-QGZVFWFLSA-N 1 1 429.849 3.808 20 0 IHADMO COc1nc2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905415 721693859 /nfs/dbraw/zinc/69/38/59/721693859.db2.gz JBYHUCMDJNPIKC-JOCHJYFZSA-N 1 1 425.483 3.771 20 0 IHADMO CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C)c1 ZINC001164907016 721695943 /nfs/dbraw/zinc/69/59/43/721695943.db2.gz QGUKNHQGMQSTFM-QFIPXVFZSA-N 1 1 430.499 3.699 20 0 IHADMO CSc1nc(Cl)ncc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906193 721703618 /nfs/dbraw/zinc/70/36/18/721703618.db2.gz KVSGBYSNAMIWIA-GOSISDBHSA-N 1 1 425.936 3.985 20 0 IHADMO Nc1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907793 721711215 /nfs/dbraw/zinc/71/12/15/721711215.db2.gz UEBFUTWBMVDZJK-SFHVURJKSA-N 1 1 443.876 3.995 20 0 IHADMO CSc1cnc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907691 721720615 /nfs/dbraw/zinc/72/06/15/721720615.db2.gz SMRLYSYRFBMQOP-SFHVURJKSA-N 1 1 425.936 3.985 20 0 IHADMO Nc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164908532 721722089 /nfs/dbraw/zinc/72/20/89/721722089.db2.gz XPQGSLDYQHNLIY-SFHVURJKSA-N 1 1 443.876 3.995 20 0 IHADMO Cc1noc(-c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2)n1 ZINC001164913476 721726458 /nfs/dbraw/zinc/72/64/58/721726458.db2.gz WDIKXOQXCFXGNJ-OAQYLSRUSA-N 1 1 426.471 3.573 20 0 IHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc3ccnc(Cl)c3c2)CC1 ZINC001165011586 721736113 /nfs/dbraw/zinc/73/61/13/721736113.db2.gz RUTZEZDPYJOPLC-UHFFFAOYSA-N 1 1 436.934 3.956 20 0 IHADMO CSc1ccc(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1Cl ZINC001165011211 721739082 /nfs/dbraw/zinc/73/90/82/721739082.db2.gz PKSURLTUWGFWOH-UHFFFAOYSA-N 1 1 432.968 3.525 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C(N)=O)cc3ccccc31)C2 ZINC001164909562 721762545 /nfs/dbraw/zinc/76/25/45/721762545.db2.gz CEOVRAJFWZIZPY-UHFFFAOYSA-N 1 1 427.508 3.516 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C(N)=O)cc3ccccc31)C2 ZINC001164909562 721762549 /nfs/dbraw/zinc/76/25/49/721762549.db2.gz CEOVRAJFWZIZPY-UHFFFAOYSA-N 1 1 427.508 3.516 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](OCC4CC4)[C@@H]4COC[C@H]43)c2c1C ZINC001165015368 721763449 /nfs/dbraw/zinc/76/34/49/721763449.db2.gz OXEKDKPTWVPIMF-QRVBRYPASA-N 1 1 428.602 3.534 20 0 IHADMO Fc1cc2ccc(Cl)nc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914073 721783045 /nfs/dbraw/zinc/78/30/45/721783045.db2.gz AXWLSKYUEVEXKF-QHCPKHFHSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1cc2ccc(Cl)nc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914073 721783047 /nfs/dbraw/zinc/78/30/47/721783047.db2.gz AXWLSKYUEVEXKF-QHCPKHFHSA-N 1 1 442.922 3.530 20 0 IHADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916355 721787218 /nfs/dbraw/zinc/78/72/18/721787218.db2.gz QCVJVKOGOPDCIJ-DEOSSOPVSA-N 1 1 438.959 3.699 20 0 IHADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916355 721787222 /nfs/dbraw/zinc/78/72/22/721787222.db2.gz QCVJVKOGOPDCIJ-DEOSSOPVSA-N 1 1 438.959 3.699 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C[C@@H]21 ZINC001165019511 721801718 /nfs/dbraw/zinc/80/17/18/721801718.db2.gz CMCLSZMMPVHDCB-JCGIZDLHSA-N 1 1 449.933 3.511 20 0 IHADMO CCOC(=O)c1cc2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2[nH]1 ZINC001165019896 721809245 /nfs/dbraw/zinc/80/92/45/721809245.db2.gz CBGIPHLMENGPNV-VCOUNFBDSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH]c-2n1 ZINC001165021661 721818372 /nfs/dbraw/zinc/81/83/72/721818372.db2.gz FUJMDRBWVPEEQT-RCZSKKKRSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2[nH]1 ZINC001165021661 721818374 /nfs/dbraw/zinc/81/83/74/721818374.db2.gz FUJMDRBWVPEEQT-RCZSKKKRSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2[nH]1 ZINC001165021661 721818376 /nfs/dbraw/zinc/81/83/76/721818376.db2.gz FUJMDRBWVPEEQT-RCZSKKKRSA-N 1 1 433.556 3.872 20 0 IHADMO CSc1nc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2s1 ZINC001165024860 721818503 /nfs/dbraw/zinc/81/85/03/721818503.db2.gz KRWMQHUQNNNATB-BHYGNILZSA-N 1 1 426.615 3.940 20 0 IHADMO COC(=O)c1c(Cl)cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001165027405 721821332 /nfs/dbraw/zinc/82/13/32/721821332.db2.gz SBQDTKCXZUGMPG-VDZJLULYSA-N 1 1 444.963 3.662 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)COc3cncc(Cl)n3)C[C@@H]21 ZINC001165023966 721825050 /nfs/dbraw/zinc/82/50/50/721825050.db2.gz IXCYDPJRFMZCCK-RYQLBKOJSA-N 1 1 437.922 3.729 20 0 IHADMO CN(CCCc1ccccc1)c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165039455 721880662 /nfs/dbraw/zinc/88/06/62/721880662.db2.gz ZUTLDCXWOVKMMR-OAQYLSRUSA-N 1 1 438.616 3.949 20 0 IHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@H]5[C@@H]3CCC(=O)N5C)n2)CCC4)CC1 ZINC001164933954 721893288 /nfs/dbraw/zinc/89/32/88/721893288.db2.gz NQCYHBPCQXLGJR-ROUUACIJSA-N 1 1 439.629 3.611 20 0 IHADMO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165038821 721908208 /nfs/dbraw/zinc/90/82/08/721908208.db2.gz PERAIVZWYMQLSO-CYBMUJFWSA-N 1 1 433.286 3.662 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c4ccn5C)CC3)C2)cc1 ZINC001164939370 721924355 /nfs/dbraw/zinc/92/43/55/721924355.db2.gz KNFRPVASFQKMDH-UHFFFAOYSA-N 1 1 425.964 3.802 20 0 IHADMO CCOC(=O)c1cc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2[nH]1 ZINC001164939729 721925515 /nfs/dbraw/zinc/92/55/15/721925515.db2.gz MAXOXIQGDYGIQX-UHFFFAOYSA-N 1 1 448.567 3.919 20 0 IHADMO NC(=O)N1CCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)CC1 ZINC001165043062 721941127 /nfs/dbraw/zinc/94/11/27/721941127.db2.gz VIPSZSPINFGVDT-UHFFFAOYSA-N 1 1 442.614 3.606 20 0 IHADMO NC(=O)N1CCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC001165043038 721941294 /nfs/dbraw/zinc/94/12/94/721941294.db2.gz UCUYQHNABUMOQI-UHFFFAOYSA-N 1 1 436.585 3.545 20 0 IHADMO COC[C@@]12COC[C@@H]1CN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001164948048 721994996 /nfs/dbraw/zinc/99/49/96/721994996.db2.gz DBBHWVVNYPGVJA-XDHUDOTRSA-N 1 1 442.629 3.511 20 0 IHADMO CC1CCN(C(=O)c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2)CC1 ZINC001164955644 722021739 /nfs/dbraw/zinc/02/17/39/722021739.db2.gz LTLITDJBKHAMOQ-UHFFFAOYSA-N 1 1 433.600 3.841 20 0 IHADMO Fc1cccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964055 722055294 /nfs/dbraw/zinc/05/52/94/722055294.db2.gz RETFFMDRZMVXFS-UHFFFAOYSA-N 1 1 441.938 3.936 20 0 IHADMO COc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164963384 722059516 /nfs/dbraw/zinc/05/95/16/722059516.db2.gz YDBYJZTUWLMTFW-UHFFFAOYSA-N 1 1 445.567 3.666 20 0 IHADMO Cc1nc(-c2ccncc2)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1C ZINC001164962191 722061073 /nfs/dbraw/zinc/06/10/73/722061073.db2.gz PMDTXEQAUZYUPU-UHFFFAOYSA-N 1 1 444.583 3.669 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@@H]3C2)nc1 ZINC001164974168 722090825 /nfs/dbraw/zinc/09/08/25/722090825.db2.gz NKPMCRMDUOPVED-CEMLEFRQSA-N 1 1 440.613 3.628 20 0 IHADMO Clc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164979359 722104190 /nfs/dbraw/zinc/10/41/90/722104190.db2.gz IFWNHMBYHODYKR-NFBKMPQASA-N 1 1 435.959 3.919 20 0 IHADMO Fc1cccc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164972411 722110138 /nfs/dbraw/zinc/11/01/38/722110138.db2.gz FDJJBQZGSSOIHJ-APWZRJJASA-N 1 1 427.911 3.545 20 0 IHADMO Clc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(Cc2ccccc2)n1 ZINC001164978313 722111185 /nfs/dbraw/zinc/11/11/85/722111185.db2.gz OKNKCYJZTPUXSX-FCHUYYIVSA-N 1 1 449.986 3.843 20 0 IHADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977966 722137273 /nfs/dbraw/zinc/13/72/73/722137273.db2.gz IYFICSFXAGTSBC-AZUAARDMSA-N 1 1 440.979 3.788 20 0 IHADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979666 722137665 /nfs/dbraw/zinc/13/76/65/722137665.db2.gz LSDGEKKSBKTKQH-CTNGQTDRSA-N 1 1 439.560 3.551 20 0 IHADMO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983371 722142853 /nfs/dbraw/zinc/14/28/53/722142853.db2.gz USSITKPTZMIKJB-FXAWDEMLSA-N 1 1 449.933 3.675 20 0 IHADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164983274 722145957 /nfs/dbraw/zinc/14/59/57/722145957.db2.gz SXGIPLRESGPSRA-RCZVLFRGSA-N 1 1 429.568 3.883 20 0 IHADMO Fc1ccc(Oc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164984203 722146612 /nfs/dbraw/zinc/14/66/12/722146612.db2.gz WJPACMMWSPHWGY-DENIHFKCSA-N 1 1 435.503 3.530 20 0 IHADMO CCc1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164977094 722146987 /nfs/dbraw/zinc/14/69/87/722146987.db2.gz IROJPPLRCFYWOQ-ZCYQVOJMSA-N 1 1 429.568 3.828 20 0 IHADMO c1ccc(CSc2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164985452 722149461 /nfs/dbraw/zinc/14/94/61/722149461.db2.gz ZNJRUWMAGVCANO-PKTZIBPZSA-N 1 1 447.608 3.891 20 0 IHADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971653 722153391 /nfs/dbraw/zinc/15/33/91/722153391.db2.gz CNHGMVMJGSEIKN-UXHICEINSA-N 1 1 429.996 3.759 20 0 IHADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@@]4(C[C@H](OCC5CCCC5)CO4)C3)c2)CC1 ZINC001164973751 722166278 /nfs/dbraw/zinc/16/62/78/722166278.db2.gz CRQSXFMNFQADDS-UKILVPOCSA-N 1 1 429.605 3.889 20 0 IHADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994938 722205254 /nfs/dbraw/zinc/20/52/54/722205254.db2.gz JVDGDJADSZEDMQ-VWLOTQADSA-N 1 1 440.563 3.943 20 0 IHADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997178 722206589 /nfs/dbraw/zinc/20/65/89/722206589.db2.gz WRSXQUWGWWHHIP-FQEVSTJZSA-N 1 1 438.881 3.763 20 0 IHADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164997178 722206593 /nfs/dbraw/zinc/20/65/93/722206593.db2.gz WRSXQUWGWWHHIP-FQEVSTJZSA-N 1 1 438.881 3.763 20 0 IHADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164998509 722213610 /nfs/dbraw/zinc/21/36/10/722213610.db2.gz WHCBRLLSXUCHBA-OYHNWAKOSA-N 1 1 432.927 3.791 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](OCCOC)[C@H]2Cc2cnn(C)c2)nc1 ZINC001164998743 722225223 /nfs/dbraw/zinc/22/52/23/722225223.db2.gz FECIZPKDHOXPBN-WXFUMESZSA-N 1 1 441.620 3.605 20 0 IHADMO COc1cc(Br)c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1O ZINC000679345626 1126105675 /nfs/dbraw/zinc/10/56/75/1126105675.db2.gz OWWZXVLAJNLXHY-PBHICJAKSA-N 1 1 434.252 3.787 20 0 IHADMO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(Cc3cccc(Br)c3)no2)cc1 ZINC001308113317 1126162978 /nfs/dbraw/zinc/16/29/78/1126162978.db2.gz DHEIWLGHPJJOJK-NRFANRHFSA-N 1 1 446.345 3.515 20 0 IHADMO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC001620537338 1126241176 /nfs/dbraw/zinc/24/11/76/1126241176.db2.gz SDOVMQRMTUUDQP-RUZDIDTESA-N 1 1 433.508 3.990 20 0 IHADMO CCOC(=O)[C@]12C[C@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164625499 719041459 /nfs/dbraw/zinc/04/14/59/719041459.db2.gz PXESRSVMMXUIGW-CMJOXMDJSA-N 1 1 426.586 3.698 20 0 IHADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000508368889 719236598 /nfs/dbraw/zinc/23/65/98/719236598.db2.gz CXZLZKHPHILPGH-ZWKOTPCHSA-N 1 1 437.613 3.719 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(COc4cccnc4)c3C2)nc1 ZINC001164656334 719328070 /nfs/dbraw/zinc/32/80/70/719328070.db2.gz XDGTXDSGZQQYBB-HSZRJFAPSA-N 1 1 447.587 3.994 20 0 IHADMO C[N@H+]1CCO[C@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164668200 719442759 /nfs/dbraw/zinc/44/27/59/719442759.db2.gz IGVHHOASWFFYCU-ROUUACIJSA-N 1 1 438.622 3.992 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)nc1 ZINC001164684792 719599697 /nfs/dbraw/zinc/59/96/97/719599697.db2.gz JYVSMKBEKVUNJA-NZQKXSOJSA-N 1 1 432.572 3.940 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C)nc3scc(-c4cccs4)c31)CC2 ZINC001164690313 719742087 /nfs/dbraw/zinc/74/20/87/719742087.db2.gz ZJDKOGQEGCZSOO-UHFFFAOYSA-N 1 1 441.626 3.909 20 0 IHADMO CCOc1ccc(C(=O)OC)c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164691942 719810332 /nfs/dbraw/zinc/81/03/32/719810332.db2.gz BBRGQHFDRASNSF-UHFFFAOYSA-N 1 1 430.574 3.667 20 0 IHADMO CCOC(=O)c1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccc1Cl ZINC001164697675 719896453 /nfs/dbraw/zinc/89/64/53/719896453.db2.gz NCZWIJWHQNLRRP-UHFFFAOYSA-N 1 1 435.977 3.845 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ncsc31)CC2 ZINC001164718544 720119042 /nfs/dbraw/zinc/11/90/42/720119042.db2.gz RYOPRGFHWGPARS-INIZCTEOSA-N 1 1 444.992 3.642 20 0 IHADMO CCOc1ccc2ncnc(N3CCC4(C[C@@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)c2c1 ZINC001164715500 720121912 /nfs/dbraw/zinc/12/19/12/720121912.db2.gz GMEASQZQGMZRSN-NRFANRHFSA-N 1 1 447.583 3.931 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001164809085 720133446 /nfs/dbraw/zinc/13/34/46/720133446.db2.gz GSJNRROOGXRAMP-GAJHUEQPSA-N 1 1 435.996 3.875 20 0 IHADMO CCc1nc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c(Cl)nc1C ZINC001164715658 720156702 /nfs/dbraw/zinc/15/67/02/720156702.db2.gz VUXFBNTUJQCIRS-LJQANCHMSA-N 1 1 429.996 3.903 20 0 IHADMO CCc1nc2sc3c(c2c(N2CC[C@]4(C2)C[N@@H+](CC2CC2)C[C@H]4COC)n1)CCC3 ZINC001164818433 720165246 /nfs/dbraw/zinc/16/52/46/720165246.db2.gz STISAXQEPPJEIS-BXKMTCNYSA-N 1 1 426.630 3.927 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001164813020 720171594 /nfs/dbraw/zinc/17/15/94/720171594.db2.gz BOHHUOYNVLWSPF-YADARESESA-N 1 1 435.597 3.938 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001164815603 720172893 /nfs/dbraw/zinc/17/28/93/720172893.db2.gz ILNQCPITAXCVRP-NTKDMRAZSA-N 1 1 447.023 3.592 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)nc(-c3ccc(Cl)nc3)n1)C2 ZINC001164815068 720191829 /nfs/dbraw/zinc/19/18/29/720191829.db2.gz HTUBQTBQTQHXJG-XXBNENTESA-N 1 1 427.980 3.685 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c(Cl)cccc31)CCC2 ZINC001164812154 720220694 /nfs/dbraw/zinc/22/06/94/720220694.db2.gz FOVIRJAMLBUFIZ-UHFFFAOYSA-N 1 1 447.370 3.744 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(-c3cccc(Cl)n3)n1)CCC2 ZINC001164814697 720223786 /nfs/dbraw/zinc/22/37/86/720223786.db2.gz VFVBKAZGAVONSH-UHFFFAOYSA-N 1 1 438.963 3.604 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](CC(=O)NC(C)C)[C@@H]3C2)nc1 ZINC001164824930 720424547 /nfs/dbraw/zinc/42/45/47/720424547.db2.gz MSSVAMFMZHFPCM-GSPCLOLRSA-N 1 1 428.621 3.632 20 0 IHADMO O=C(c1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)c1)N1CCCCC1 ZINC001164733376 720447447 /nfs/dbraw/zinc/44/74/47/720447447.db2.gz PIRHNLSQIVBZNX-NHCUHLMSSA-N 1 1 425.964 3.609 20 0 IHADMO O=C(c1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)c1)N1CCCCC1 ZINC001164733376 720447456 /nfs/dbraw/zinc/44/74/56/720447456.db2.gz PIRHNLSQIVBZNX-NHCUHLMSSA-N 1 1 425.964 3.609 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164728510 720503859 /nfs/dbraw/zinc/50/38/59/720503859.db2.gz GEBASNNSAGRBQJ-RQTOMXEWSA-N 1 1 435.572 3.648 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc4c(n3)-c3ccccc3CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836847 720582573 /nfs/dbraw/zinc/58/25/73/720582573.db2.gz HBELHDOFBYRTOA-WPFOTENUSA-N 1 1 428.584 3.817 20 0 IHADMO COc1ccccc1-c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164836279 720614122 /nfs/dbraw/zinc/61/41/22/720614122.db2.gz FOPLVUJERITQEI-ZRCGQRJVSA-N 1 1 432.572 3.727 20 0 IHADMO COc1ccccc1-c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncn1 ZINC001164844138 720614220 /nfs/dbraw/zinc/61/42/20/720614220.db2.gz YZNCWWSDPDOREO-TXTKFYIRSA-N 1 1 432.572 3.727 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(F)c(-c4ccsc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840806 720640608 /nfs/dbraw/zinc/64/06/08/720640608.db2.gz QUEMCZUFRGQPMV-WSTZPKSXSA-N 1 1 426.565 3.919 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(-c4ccncc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835980 720641055 /nfs/dbraw/zinc/64/10/55/720641055.db2.gz DHQLCWGPETZPIL-IRFCIJBXSA-N 1 1 437.979 3.766 20 0 IHADMO CCOC(=O)/C=C/c1cccnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840972 720663307 /nfs/dbraw/zinc/66/33/07/720663307.db2.gz OJSCVZMVYDAZCN-HRBBJJPOSA-N 1 1 435.568 3.918 20 0 IHADMO COC(=O)c1cc(Cl)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164837047 720663683 /nfs/dbraw/zinc/66/36/83/720663683.db2.gz AYAGXVAHPUEEMH-IBGZPJMESA-N 1 1 429.948 3.782 20 0 IHADMO COC(=O)c1cc(Cl)cnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838794 720665040 /nfs/dbraw/zinc/66/50/40/720665040.db2.gz HPYZWTGZQZIBAR-LJQANCHMSA-N 1 1 429.948 3.782 20 0 IHADMO COC(=O)c1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164844919 720688897 /nfs/dbraw/zinc/68/88/97/720688897.db2.gz WIMBHKOFZJRLCJ-GOSISDBHSA-N 1 1 429.948 3.782 20 0 IHADMO CC1CCN(c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)CC1 ZINC001164836953 720714067 /nfs/dbraw/zinc/71/40/67/720714067.db2.gz CBMGATFRWUZTQB-HSZRJFAPSA-N 1 1 435.616 3.973 20 0 IHADMO C[C@H]1CCCN(c2cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ncn2)C1 ZINC001164838285 720720600 /nfs/dbraw/zinc/72/06/00/720720600.db2.gz HTTDXJXMSIRJFP-GMAHTHKFSA-N 1 1 435.616 3.973 20 0 IHADMO C[N@@H+](Cc1ccc(N2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)nc1)C1CC1 ZINC001164842484 720747182 /nfs/dbraw/zinc/74/71/82/720747182.db2.gz FKQQUNDTCMGLKZ-UHFFFAOYSA-N 1 1 447.608 3.668 20 0 IHADMO Fc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164745253 720755980 /nfs/dbraw/zinc/75/59/80/720755980.db2.gz UJLUQCXINDVLSO-MSOLQXFVSA-N 1 1 448.527 3.629 20 0 IHADMO Fc1ccc(-c2nnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164737229 720765795 /nfs/dbraw/zinc/76/57/95/720765795.db2.gz BCULWHMLMMCIKL-WOJBJXKFSA-N 1 1 442.498 3.568 20 0 IHADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749696 720806590 /nfs/dbraw/zinc/80/65/90/720806590.db2.gz ULGBVURJAHSMCU-CVEARBPZSA-N 1 1 449.933 3.681 20 0 IHADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749696 720806592 /nfs/dbraw/zinc/80/65/92/720806592.db2.gz ULGBVURJAHSMCU-CVEARBPZSA-N 1 1 449.933 3.681 20 0 IHADMO Cc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164743344 720825500 /nfs/dbraw/zinc/82/55/00/720825500.db2.gz SIFLNMVXJWZPOX-LVCYWYKZSA-N 1 1 437.979 3.563 20 0 IHADMO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738129 720829067 /nfs/dbraw/zinc/82/90/67/720829067.db2.gz DSPFUXLMLXYHBB-YOSAUDMPSA-N 1 1 432.572 3.523 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749622 720846522 /nfs/dbraw/zinc/84/65/22/720846522.db2.gz WNQVHACVWOQCPG-IPMKNSEASA-N 1 1 444.027 3.707 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@H]2C1 ZINC001164857107 720850440 /nfs/dbraw/zinc/85/04/40/720850440.db2.gz XKKIRYJHNXHORG-LPHOPBHVSA-N 1 1 425.907 3.607 20 0 IHADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164745182 720850488 /nfs/dbraw/zinc/85/04/88/720850488.db2.gz MKXNTOSARIHRJT-OTNCWRBYSA-N 1 1 443.599 3.731 20 0 IHADMO Fc1ccc(Cl)c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164745964 720856813 /nfs/dbraw/zinc/85/68/13/720856813.db2.gz DZXFWZJTIPWMID-CBGDNZLLSA-N 1 1 440.954 3.998 20 0 IHADMO Fc1ccc(Cl)c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164745973 720857115 /nfs/dbraw/zinc/85/71/15/720857115.db2.gz DZXFWZJTIPWMID-XGHQBKJUSA-N 1 1 440.954 3.998 20 0 IHADMO Cc1nc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750150 720867500 /nfs/dbraw/zinc/86/75/00/720867500.db2.gz JBACNQIARMTGKU-REWPJTCUSA-N 1 1 427.980 3.589 20 0 IHADMO Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749064 720867573 /nfs/dbraw/zinc/86/75/73/720867573.db2.gz GRACWHPBOKLLLQ-ATIYNZHBSA-N 1 1 448.615 3.509 20 0 IHADMO c1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164751664 720868305 /nfs/dbraw/zinc/86/83/05/720868305.db2.gz LUYRBEJWLPUDIX-OZXSUGGESA-N 1 1 429.568 3.780 20 0 IHADMO Fc1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752986 720875488 /nfs/dbraw/zinc/87/54/88/720875488.db2.gz OBIQEANSWKWNME-QFQXNSOFSA-N 1 1 447.558 3.919 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C)nc4scc(-c5cccs5)c43)CC[C@@H]2C1 ZINC001164865266 720876302 /nfs/dbraw/zinc/87/63/02/720876302.db2.gz ZKLQZHGLJQGLKB-AEFFLSMTSA-N 1 1 444.626 3.902 20 0 IHADMO CC(C)(C)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757765 720884903 /nfs/dbraw/zinc/88/49/03/720884903.db2.gz VLJREPGPGPHUHT-NVQXNPDNSA-N 1 1 435.616 3.924 20 0 IHADMO COc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753201 720886101 /nfs/dbraw/zinc/88/61/01/720886101.db2.gz GCYLNCYKYCLMJD-RDPSFJRHSA-N 1 1 442.991 3.894 20 0 IHADMO COc1ccc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755379 720893666 /nfs/dbraw/zinc/89/36/66/720893666.db2.gz LRAMFAFSYZNHRH-GBXCKJPGSA-N 1 1 442.991 3.894 20 0 IHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ncc4c(n2)CCCC4)C3)c1 ZINC001164748452 720927306 /nfs/dbraw/zinc/92/73/06/720927306.db2.gz GDZTYBAHXAQPMM-OZXSUGGESA-N 1 1 433.600 3.506 20 0 IHADMO COc1cc2nc(Cl)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1OC ZINC001164861247 720947886 /nfs/dbraw/zinc/94/78/86/720947886.db2.gz SEWCMSFOPPYTHO-AWEZNQCLSA-N 1 1 444.967 3.918 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)[C@@H]2C ZINC001164856591 721007977 /nfs/dbraw/zinc/00/79/77/721007977.db2.gz BAUNRAANTZZXAN-YJYMSZOUSA-N 1 1 446.905 3.553 20 0 IHADMO CCn1nnc2c1CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)[C@H]2COCc1ccccc1 ZINC001164764002 721049283 /nfs/dbraw/zinc/04/92/83/721049283.db2.gz AHYPIKVKWHGSAH-QHCPKHFHSA-N 1 1 432.572 3.608 20 0 IHADMO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866960 721080697 /nfs/dbraw/zinc/08/06/97/721080697.db2.gz VPFIKOMTCDZCJX-ROUUACIJSA-N 1 1 445.901 3.703 20 0 IHADMO Clc1cc(Cc2ccccc2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866179 721121867 /nfs/dbraw/zinc/12/18/67/721121867.db2.gz RQWZKYPDXUBWMG-FGZHOGPDSA-N 1 1 435.959 3.596 20 0 IHADMO CSc1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164874491 721131739 /nfs/dbraw/zinc/13/17/39/721131739.db2.gz KCLLFFYYAXEYAG-JKSUJKDBSA-N 1 1 440.947 3.877 20 0 IHADMO c1ccc(-c2nsc3c2ncnc3N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164881156 721149128 /nfs/dbraw/zinc/14/91/28/721149128.db2.gz ZLALVLCBUQOESA-UXHICEINSA-N 1 1 444.564 3.628 20 0 IHADMO CSc1ccc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1Cl ZINC001164772287 721151153 /nfs/dbraw/zinc/15/11/53/721151153.db2.gz VGAFTVPFWAZJPX-GJZGRUSLSA-N 1 1 427.952 3.694 20 0 IHADMO CSc1cnc(Cl)c(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164770863 721185181 /nfs/dbraw/zinc/18/51/81/721185181.db2.gz OYVVKKFGVRWNEZ-HUUCEWRRSA-N 1 1 427.952 3.694 20 0 IHADMO Cc1nc2sc3c(c2c(N2C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C2)n1)CCCCC3 ZINC001164762695 721202064 /nfs/dbraw/zinc/20/20/64/721202064.db2.gz DDKGXXMBMHLMKL-RTBURBONSA-N 1 1 436.629 3.960 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164762589 721222911 /nfs/dbraw/zinc/22/29/11/721222911.db2.gz CWMSIRPUTAKKCC-OALUTQOASA-N 1 1 447.568 3.552 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)n1 ZINC001164872666 721249318 /nfs/dbraw/zinc/24/93/18/721249318.db2.gz FAIUCZWQZAUSHE-ACRUOGEOSA-N 1 1 428.964 3.931 20 0 IHADMO Cc1cccc(N2CCC[C@@]3(C2)CN(c2cc(OC4CC[NH+](C)CC4)ccn2)CCO3)c1 ZINC001164775329 721305523 /nfs/dbraw/zinc/30/55/23/721305523.db2.gz VRCOJVITILYJGH-AREMUKBSSA-N 1 1 436.600 3.739 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)n1 ZINC001164874207 721313285 /nfs/dbraw/zinc/31/32/85/721313285.db2.gz BKRXBJHEUKYCHZ-YSIASYRMSA-N 1 1 428.964 3.789 20 0 IHADMO CCN1CC[C@@]2(CN(c3nc(C[NH+](CC)CC)nc4sc(C)c(C)c43)C[C@H]2C)C1=O ZINC001164778693 721320669 /nfs/dbraw/zinc/32/06/69/721320669.db2.gz QOUGLYRAZXKVNE-CMJOXMDJSA-N 1 1 429.634 3.845 20 0 IHADMO CSc1nc(Cl)cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164775826 721333494 /nfs/dbraw/zinc/33/34/94/721333494.db2.gz AHBHPDMGYMABJK-HXUWFJFHSA-N 1 1 437.997 3.576 20 0 IHADMO CSc1nc(Cl)cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164775826 721333496 /nfs/dbraw/zinc/33/34/96/721333496.db2.gz AHBHPDMGYMABJK-HXUWFJFHSA-N 1 1 437.997 3.576 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4ccc(F)cc43)C2)C1 ZINC001164778185 721342897 /nfs/dbraw/zinc/34/28/97/721342897.db2.gz KCDAOLHEZJJEIQ-XMMPIXPASA-N 1 1 439.535 3.801 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cccc(OC(C)(C)C)n3)C2)C1 ZINC001164778817 721354461 /nfs/dbraw/zinc/35/44/61/721354461.db2.gz OVAGHFMHLGMVQT-XMMPIXPASA-N 1 1 428.577 3.983 20 0 IHADMO CCCSc1cncc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779926 721368983 /nfs/dbraw/zinc/36/89/83/721368983.db2.gz AREXUJIHMXNHSF-JOCHJYFZSA-N 1 1 431.606 3.703 20 0 IHADMO CCCSc1cncc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779926 721368986 /nfs/dbraw/zinc/36/89/86/721368986.db2.gz AREXUJIHMXNHSF-JOCHJYFZSA-N 1 1 431.606 3.703 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccnc(Cl)c4Cl)C3)O2)CC1 ZINC001164886277 721388163 /nfs/dbraw/zinc/38/81/63/721388163.db2.gz DZBBQKWKKHBLDW-BEFAXECRSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(Cl)cc(Cl)nc4Cl)C3)O2)CC1 ZINC001164889187 721396304 /nfs/dbraw/zinc/39/63/04/721396304.db2.gz KQPRPFGTFRAUPN-IFXJQAMLSA-N 1 1 433.811 3.807 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(Cl)ncc(Cl)c4Cl)C3)O2)CC1 ZINC001164887236 721414743 /nfs/dbraw/zinc/41/47/43/721414743.db2.gz LPQLFQWBPRJLAK-KUHUBIRLSA-N 1 1 433.811 3.807 20 0 IHADMO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2c(Cl)cccc12 ZINC001164889507 721426126 /nfs/dbraw/zinc/42/61/26/721426126.db2.gz BFCNAVCCTIGGMS-CYFREDJKSA-N 1 1 429.008 3.962 20 0 IHADMO c1csc(-c2noc(-c3ccnc(N4C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C4)c3)n2)c1 ZINC001164784392 721432173 /nfs/dbraw/zinc/43/21/73/721432173.db2.gz LKCKPFGUIPSGSQ-HOTGVXAUSA-N 1 1 436.566 3.885 20 0 IHADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164894918 721446230 /nfs/dbraw/zinc/44/62/30/721446230.db2.gz NGKLVZMZHCKOGZ-LTMIRXACSA-N 1 1 436.044 3.717 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C5CCCCC5)n4)C3)O2)CC1 ZINC001164887724 721448387 /nfs/dbraw/zinc/44/83/87/721448387.db2.gz JYYDOKYNVDFKES-GBXCKJPGSA-N 1 1 448.055 3.943 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3c1CCC3)CC2 ZINC001164789425 721455242 /nfs/dbraw/zinc/45/52/42/721455242.db2.gz VWTKYPXPIVIKPP-LJQANCHMSA-N 1 1 434.024 3.958 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164785560 721459990 /nfs/dbraw/zinc/45/99/90/721459990.db2.gz LWTVSFYSBCJDPH-RXVVDRJESA-N 1 1 441.975 3.596 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(C)sc31)CC2 ZINC001164789335 721464604 /nfs/dbraw/zinc/46/46/04/721464604.db2.gz XBFXCFWILKGMLV-IBGZPJMESA-N 1 1 430.618 3.734 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164790119 721467826 /nfs/dbraw/zinc/46/78/26/721467826.db2.gz RBIJIIVZVDHZNF-FQEVSTJZSA-N 1 1 442.629 3.939 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164790095 721473537 /nfs/dbraw/zinc/47/35/37/721473537.db2.gz QVHNJLYYFALXMH-LJQANCHMSA-N 1 1 449.039 3.743 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164899486 721490553 /nfs/dbraw/zinc/49/05/53/721490553.db2.gz KQJLLZFAXYSWCC-RBBKRZOGSA-N 1 1 426.605 3.673 20 0 IHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164796745 721500994 /nfs/dbraw/zinc/50/09/94/721500994.db2.gz WSRIYFBULPIXQF-UHFFFAOYSA-N 1 1 447.921 3.779 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164897638 721502008 /nfs/dbraw/zinc/50/20/08/721502008.db2.gz NLDUJFMOTHXGRL-VXKWHMMOSA-N 1 1 428.621 3.776 20 0 IHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164796615 721503991 /nfs/dbraw/zinc/50/39/91/721503991.db2.gz UACGOBNPHZHJSS-LJQANCHMSA-N 1 1 443.979 3.574 20 0 IHADMO COc1ccc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1 ZINC001164794758 721525193 /nfs/dbraw/zinc/52/51/93/721525193.db2.gz HLBNTMSLQIROLB-PCCBWWKXSA-N 1 1 439.947 3.555 20 0 IHADMO COc1ccc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1 ZINC001164794758 721525195 /nfs/dbraw/zinc/52/51/95/721525195.db2.gz HLBNTMSLQIROLB-PCCBWWKXSA-N 1 1 439.947 3.555 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3[nH]cc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164794280 721526532 /nfs/dbraw/zinc/52/65/32/721526532.db2.gz BDDDWGXSVXJFMB-INMHGKMJSA-N 1 1 433.343 3.528 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3[nH]cc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164794280 721526535 /nfs/dbraw/zinc/52/65/35/721526535.db2.gz BDDDWGXSVXJFMB-INMHGKMJSA-N 1 1 433.343 3.528 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164809565 721528944 /nfs/dbraw/zinc/52/89/44/721528944.db2.gz VKBRVOFSQWYZHM-VBQJREDUSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164809565 721528946 /nfs/dbraw/zinc/52/89/46/721528946.db2.gz VKBRVOFSQWYZHM-VBQJREDUSA-N 1 1 444.313 3.592 20 0 IHADMO COc1cccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903446 721533340 /nfs/dbraw/zinc/53/33/40/721533340.db2.gz COVWBVKZHWUEOF-WBVHZDCISA-N 1 1 428.895 3.773 20 0 IHADMO COc1cc2c(cc1Cl)ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908630 721535625 /nfs/dbraw/zinc/53/56/25/721535625.db2.gz PWAZMXWUTDJTCH-RDJZCZTQSA-N 1 1 428.895 3.773 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4ccn5Cc4ccccc4)CC[N@H+]3C2)c1 ZINC001164902531 721539406 /nfs/dbraw/zinc/53/94/06/721539406.db2.gz AFHUVPGZDASEFY-GGAORHGYSA-N 1 1 443.526 3.961 20 0 IHADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906356 721539534 /nfs/dbraw/zinc/53/95/34/721539534.db2.gz KCDJRHVYGYKTHC-PKOBYXMFSA-N 1 1 446.954 3.744 20 0 IHADMO COc1cccc2c1nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804496 721552790 /nfs/dbraw/zinc/55/27/90/721552790.db2.gz KBCUOZIOMXYVRC-BBTUJRGHSA-N 1 1 439.947 3.555 20 0 IHADMO COc1cc2c(cc1Cl)ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807334 721556146 /nfs/dbraw/zinc/55/61/46/721556146.db2.gz SSBOIFLELHOAHW-RZUBCFFCSA-N 1 1 439.947 3.555 20 0 IHADMO COc1cc2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2cc1OC ZINC001164809926 721558535 /nfs/dbraw/zinc/55/85/35/721558535.db2.gz YHGIEGKZXKFDJO-DPLHUUCSSA-N 1 1 434.540 3.515 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)CC[N@H+]3C2)c1 ZINC001164907542 721565473 /nfs/dbraw/zinc/56/54/73/721565473.db2.gz OERYKYKLIJEZQH-MJGOQNOKSA-N 1 1 425.895 3.673 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164801672 721565868 /nfs/dbraw/zinc/56/58/68/721565868.db2.gz HAFGENHIMPJFSH-ZRCGQRJVSA-N 1 1 429.524 3.948 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164801672 721565869 /nfs/dbraw/zinc/56/58/69/721565869.db2.gz HAFGENHIMPJFSH-ZRCGQRJVSA-N 1 1 429.524 3.948 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC001164902541 721580866 /nfs/dbraw/zinc/58/08/66/721580866.db2.gz FZACCEXAROENQW-RCZVLFRGSA-N 1 1 436.604 3.684 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3c(F)cccc3F)nn2)[C@@H]2CCCO[C@H]12 ZINC001164810138 721583762 /nfs/dbraw/zinc/58/37/62/721583762.db2.gz UNQNTWKXIPXUHQ-LGVFNWMJSA-N 1 1 437.494 3.685 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3c(F)cccc3F)nn2)[C@@H]2CCCO[C@H]12 ZINC001164810138 721583764 /nfs/dbraw/zinc/58/37/64/721583764.db2.gz UNQNTWKXIPXUHQ-LGVFNWMJSA-N 1 1 437.494 3.685 20 0 IHADMO COC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164903962 721584174 /nfs/dbraw/zinc/58/41/74/721584174.db2.gz PMNDEBVKZFGUTB-FQEVSTJZSA-N 1 1 436.890 3.654 20 0 IHADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164808125 721588134 /nfs/dbraw/zinc/58/81/34/721588134.db2.gz PZEHUYLEXHNNFH-APFRJGHOSA-N 1 1 435.616 3.892 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164808125 721588136 /nfs/dbraw/zinc/58/81/36/721588136.db2.gz PZEHUYLEXHNNFH-APFRJGHOSA-N 1 1 435.616 3.892 20 0 IHADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164808132 721588250 /nfs/dbraw/zinc/58/82/50/721588250.db2.gz PZEHUYLEXHNNFH-DDRRAVBJSA-N 1 1 435.616 3.892 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164808132 721588253 /nfs/dbraw/zinc/58/82/53/721588253.db2.gz PZEHUYLEXHNNFH-DDRRAVBJSA-N 1 1 435.616 3.892 20 0 IHADMO Cc1c(Cl)nc(CC(C)C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808081 721588429 /nfs/dbraw/zinc/58/84/29/721588429.db2.gz PVAARGCHZQMUPL-ZJOUEHCJSA-N 1 1 429.996 3.900 20 0 IHADMO CSc1nc(Cl)ncc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906195 721704185 /nfs/dbraw/zinc/70/41/85/721704185.db2.gz KVSGBYSNAMIWIA-SFHVURJKSA-N 1 1 425.936 3.985 20 0 IHADMO FC1(F)CCN(c2nnc(Cl)c3cccnc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904350 721704873 /nfs/dbraw/zinc/70/48/73/721704873.db2.gz CBWKETORZFOPMW-FQEVSTJZSA-N 1 1 430.890 3.811 20 0 IHADMO FC1(F)CCN(c2nccc(N3CCCCC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906504 721714208 /nfs/dbraw/zinc/71/42/08/721714208.db2.gz MLKWSWVHVGDKHX-QFIPXVFZSA-N 1 1 428.531 3.600 20 0 IHADMO FC1(F)CCN(c2nccc(N3CCCCC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906502 721714903 /nfs/dbraw/zinc/71/49/03/721714903.db2.gz MLKWSWVHVGDKHX-JOCHJYFZSA-N 1 1 428.531 3.600 20 0 IHADMO CCOC(=O)c1c(C)ccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907817 721717451 /nfs/dbraw/zinc/71/74/51/721717451.db2.gz UMBWYIJRJHLFSG-JOCHJYFZSA-N 1 1 430.499 3.699 20 0 IHADMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccccn2)n1 ZINC001164904373 721722717 /nfs/dbraw/zinc/72/27/17/721722717.db2.gz CPPBXADMLWGSFA-QHCPKHFHSA-N 1 1 436.510 3.980 20 0 IHADMO CCOC(=O)/C=C/c1cccnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164907880 721746116 /nfs/dbraw/zinc/74/61/16/721746116.db2.gz CLLVCRMHSLDJEA-CMDGGOBGSA-N 1 1 432.524 3.841 20 0 IHADMO CCOC(=O)/C=C/c1cccnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164907880 721746121 /nfs/dbraw/zinc/74/61/21/721746121.db2.gz CLLVCRMHSLDJEA-CMDGGOBGSA-N 1 1 432.524 3.841 20 0 IHADMO COC(=O)c1ccc2c(c1)ncnc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164909404 721747699 /nfs/dbraw/zinc/74/76/99/721747699.db2.gz RHNQKNLDTUTZGX-UHFFFAOYSA-N 1 1 443.507 3.599 20 0 IHADMO COC(=O)c1ccc2c(c1)ncnc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164909404 721747703 /nfs/dbraw/zinc/74/77/03/721747703.db2.gz RHNQKNLDTUTZGX-UHFFFAOYSA-N 1 1 443.507 3.599 20 0 IHADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910773 721754682 /nfs/dbraw/zinc/75/46/82/721754682.db2.gz RLRLNRCEZGAKPX-UHFFFAOYSA-N 1 1 447.539 3.713 20 0 IHADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910773 721754686 /nfs/dbraw/zinc/75/46/86/721754686.db2.gz RLRLNRCEZGAKPX-UHFFFAOYSA-N 1 1 447.539 3.713 20 0 IHADMO C=Cc1nc(Cl)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1OC ZINC001164911424 721759838 /nfs/dbraw/zinc/75/98/38/721759838.db2.gz OWJAHBKQWIPTIK-UHFFFAOYSA-N 1 1 425.920 3.964 20 0 IHADMO C=Cc1nc(Cl)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1OC ZINC001164911424 721759843 /nfs/dbraw/zinc/75/98/43/721759843.db2.gz OWJAHBKQWIPTIK-UHFFFAOYSA-N 1 1 425.920 3.964 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164912264 721761158 /nfs/dbraw/zinc/76/11/58/721761158.db2.gz WQDYVKTVIHFXFD-UHFFFAOYSA-N 1 1 449.889 3.780 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164912264 721761172 /nfs/dbraw/zinc/76/11/72/721761172.db2.gz WQDYVKTVIHFXFD-UHFFFAOYSA-N 1 1 449.889 3.780 20 0 IHADMO COc1cc(OC)c2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164912297 721765627 /nfs/dbraw/zinc/76/56/27/721765627.db2.gz XTDSWKJLMKWXNC-UHFFFAOYSA-N 1 1 445.523 3.830 20 0 IHADMO COc1cc(OC)c2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164912297 721765629 /nfs/dbraw/zinc/76/56/29/721765629.db2.gz XTDSWKJLMKWXNC-UHFFFAOYSA-N 1 1 445.523 3.830 20 0 IHADMO O=C(c1ccco1)N1C[C@H]2CCCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)[C@@H]2C1 ZINC001165015495 721769607 /nfs/dbraw/zinc/76/96/07/721769607.db2.gz LTIAUMFVMHLKQA-ISKFKSNPSA-N 1 1 442.563 3.974 20 0 IHADMO CCOC(=O)c1cnc(SC)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026915 721800204 /nfs/dbraw/zinc/80/02/04/721800204.db2.gz SIJDEKKHWDCRCV-VDGAXYAQSA-N 1 1 441.601 3.507 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)C[C@H]21 ZINC001165026343 721804697 /nfs/dbraw/zinc/80/46/97/721804697.db2.gz QUPWMBYMEKBIPB-MISYRCLQSA-N 1 1 438.576 3.956 20 0 IHADMO COC(=O)c1c(Cl)cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001165027397 721821341 /nfs/dbraw/zinc/82/13/41/721821341.db2.gz SBQDTKCXZUGMPG-IEZWGBDMSA-N 1 1 444.963 3.662 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)COc3cncc(Cl)n3)C[C@@H]21 ZINC001165023960 721825260 /nfs/dbraw/zinc/82/52/60/721825260.db2.gz IXCYDPJRFMZCCK-BPQIPLTHSA-N 1 1 437.922 3.729 20 0 IHADMO CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H]2CC[N@H+]4CCN(C)C)n1)CCCC3 ZINC001164930925 721879321 /nfs/dbraw/zinc/87/93/21/721879321.db2.gz DJMNYONDOZMQFG-SJORKVTESA-N 1 1 431.675 3.648 20 0 IHADMO CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H]2CCN4CC[NH+](C)C)n1)CCCC3 ZINC001164930925 721879323 /nfs/dbraw/zinc/87/93/23/721879323.db2.gz DJMNYONDOZMQFG-SJORKVTESA-N 1 1 431.675 3.648 20 0 IHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164929739 721884597 /nfs/dbraw/zinc/88/45/97/721884597.db2.gz CBZKTPYPYQCHBQ-FCHUYYIVSA-N 1 1 426.008 3.890 20 0 IHADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164929739 721884600 /nfs/dbraw/zinc/88/46/00/721884600.db2.gz CBZKTPYPYQCHBQ-FCHUYYIVSA-N 1 1 426.008 3.890 20 0 IHADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164929750 721884661 /nfs/dbraw/zinc/88/46/61/721884661.db2.gz CBZKTPYPYQCHBQ-VXKWHMMOSA-N 1 1 426.008 3.890 20 0 IHADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164929750 721884662 /nfs/dbraw/zinc/88/46/62/721884662.db2.gz CBZKTPYPYQCHBQ-VXKWHMMOSA-N 1 1 426.008 3.890 20 0 IHADMO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939672 721929548 /nfs/dbraw/zinc/92/95/48/721929548.db2.gz NYKVYHRZISAQDE-HJWRWDBZSA-N 1 1 435.568 3.756 20 0 IHADMO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)no1 ZINC001164955686 722021761 /nfs/dbraw/zinc/02/17/61/722021761.db2.gz NEDITPJUWQGXAZ-UHFFFAOYSA-N 1 1 432.528 3.518 20 0 IHADMO c1cncc(C[N@H+]2CCC3(C2)CCN(c2nc(-c4ccncc4)nc4c2CCC4)CC3)c1 ZINC001164962071 722023651 /nfs/dbraw/zinc/02/36/51/722023651.db2.gz PCHPOUQTSKUYJH-UHFFFAOYSA-N 1 1 426.568 3.915 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@H]32)nc1 ZINC001164960980 722030065 /nfs/dbraw/zinc/03/00/65/722030065.db2.gz VHHYRKJTRIYUGC-FQOCKNPQSA-N 1 1 426.536 3.978 20 0 IHADMO Fc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164958221 722052532 /nfs/dbraw/zinc/05/25/32/722052532.db2.gz DZURRYCAROZZJI-UHFFFAOYSA-N 1 1 440.897 3.933 20 0 IHADMO c1ccc(Oc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164959414 722053980 /nfs/dbraw/zinc/05/39/80/722053980.db2.gz IYVOGDCJFHATRC-UHFFFAOYSA-N 1 1 431.540 3.783 20 0 IHADMO Cc1nc(-c2ccccn2)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1C ZINC001164959952 722060713 /nfs/dbraw/zinc/06/07/13/722060713.db2.gz AEZQMRLHFLMKFA-UHFFFAOYSA-N 1 1 444.583 3.669 20 0 IHADMO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967645 722076534 /nfs/dbraw/zinc/07/65/34/722076534.db2.gz HOHPTWHZDRPGOS-KDURUIRLSA-N 1 1 436.581 3.804 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@H]2C1 ZINC001164969178 722082629 /nfs/dbraw/zinc/08/26/29/722082629.db2.gz KXWNNDQMWKPVHM-PMACEKPBSA-N 1 1 431.939 3.859 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@H]2C1 ZINC001164969178 722082631 /nfs/dbraw/zinc/08/26/31/722082631.db2.gz KXWNNDQMWKPVHM-PMACEKPBSA-N 1 1 431.939 3.859 20 0 IHADMO Clc1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164979892 722104108 /nfs/dbraw/zinc/10/41/08/722104108.db2.gz IFWNHMBYHODYKR-NZQKXSOJSA-N 1 1 435.959 3.919 20 0 IHADMO c1[nH]c2ccccc2c1-c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981120 722114742 /nfs/dbraw/zinc/11/47/42/722114742.db2.gz SSNGWSQYNOMYHF-NBGIEHNGSA-N 1 1 440.551 3.747 20 0 IHADMO Fc1cccc(Oc2cncc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164985023 722131475 /nfs/dbraw/zinc/13/14/75/722131475.db2.gz YWWPWBLIUZNSSK-DENIHFKCSA-N 1 1 435.503 3.530 20 0 IHADMO Clc1cc(Cc2ccccc2)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982822 722133408 /nfs/dbraw/zinc/13/34/08/722133408.db2.gz SURPYVROJGEIQY-FYYLOGMGSA-N 1 1 449.986 3.843 20 0 IHADMO Fc1cccc(Oc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164983886 722135265 /nfs/dbraw/zinc/13/52/65/722135265.db2.gz VYWZZSUHIJGZTR-DENIHFKCSA-N 1 1 435.503 3.530 20 0 IHADMO Clc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(-c2ccccc2)n1 ZINC001164982264 722147238 /nfs/dbraw/zinc/14/72/38/722147238.db2.gz RLQJBLPANDMYBG-LEWJYISDSA-N 1 1 435.959 3.919 20 0 IHADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)cc-2n1 ZINC001164995351 722198865 /nfs/dbraw/zinc/19/88/65/722198865.db2.gz UWPNNZFXAWVMOB-DEOSSOPVSA-N 1 1 438.503 3.742 20 0 IHADMO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1Br)OCO2)C(F)(F)F ZINC000604765692 1126099502 /nfs/dbraw/zinc/09/95/02/1126099502.db2.gz JLBWBCYEKXUXIH-WMLDXEAASA-N 1 1 432.236 3.802 20 0 IHADMO Cn1c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)nc2ccc(Br)cc21 ZINC001197297830 1126154059 /nfs/dbraw/zinc/15/40/59/1126154059.db2.gz RWPWVXZUSCEBQK-CRAIPNDOSA-N 1 1 442.279 3.960 20 0 IHADMO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(Cc3cccc(Br)c3)no2)cc1 ZINC001308113319 1126162960 /nfs/dbraw/zinc/16/29/60/1126162960.db2.gz DHEIWLGHPJJOJK-OAQYLSRUSA-N 1 1 446.345 3.515 20 0 IHADMO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nnc(-c3cccc4ccccc43)o2)cc1OC ZINC001460867196 1126192886 /nfs/dbraw/zinc/19/28/86/1126192886.db2.gz ICCFJLXUKJADNO-VWLOTQADSA-N 1 1 433.508 3.990 20 0 IHADMO Cc1ccccc1NC(=O)Cc1nc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cs1 ZINC001473838854 1126199400 /nfs/dbraw/zinc/19/94/00/1126199400.db2.gz LLMVXMPKSZGPOQ-HSZRJFAPSA-N 1 1 427.545 3.855 20 0 IHADMO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@@](C)(CO)Cc3ccccc3F)cs2)cc1 ZINC001620623861 1126241329 /nfs/dbraw/zinc/24/13/29/1126241329.db2.gz JBUSUMJDFNEPPH-HSZRJFAPSA-N 1 1 427.545 3.855 20 0 IHADMO COC(=O)[C@]1(C)CCCN1c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164389942 718805526 /nfs/dbraw/zinc/80/55/26/718805526.db2.gz LPOVJYFPCRGJIG-QHCPKHFHSA-N 1 1 428.602 3.944 20 0 IHADMO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@H]3O2)n1 ZINC001164641028 719263036 /nfs/dbraw/zinc/26/30/36/719263036.db2.gz UNTZFNATIVTNDL-YFXJRYMSSA-N 1 1 437.588 3.825 20 0 IHADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4O[C@@H](c5nc(C6CC6)cs5)C[C@H]4C3)c2)CC1 ZINC001164649381 719290665 /nfs/dbraw/zinc/29/06/65/719290665.db2.gz WNDUBFGNCJHAPZ-DQLDELGASA-N 1 1 426.586 3.855 20 0 IHADMO C[N@H+]1CCO[C@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164668198 719444211 /nfs/dbraw/zinc/44/42/11/719444211.db2.gz IGVHHOASWFFYCU-MSOLQXFVSA-N 1 1 438.622 3.992 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)nc1 ZINC001164677535 719545038 /nfs/dbraw/zinc/54/50/38/719545038.db2.gz FBLYXSKHTCYBKU-LUKWVAJMSA-N 1 1 426.605 3.625 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccc(C)s3)nc3ccccc31)CC2 ZINC001164690293 719745325 /nfs/dbraw/zinc/74/53/25/719745325.db2.gz YTYRQNJUDMECLQ-UHFFFAOYSA-N 1 1 435.597 3.848 20 0 IHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2cc(Cl)ccc21 ZINC001164698630 719848971 /nfs/dbraw/zinc/84/89/71/719848971.db2.gz GGKYGYNNIYGHNG-YCRPNKLZSA-N 1 1 438.355 3.774 20 0 IHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2cc(Cl)ccc21 ZINC001164698628 719849078 /nfs/dbraw/zinc/84/90/78/719849078.db2.gz GGKYGYNNIYGHNG-VFNWGFHPSA-N 1 1 438.355 3.774 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1 ZINC001164801756 720051919 /nfs/dbraw/zinc/05/19/19/720051919.db2.gz GOVVNLCPZDGFQD-ARNLJNQMSA-N 1 1 439.604 3.670 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)c1Cl ZINC001164810386 720091027 /nfs/dbraw/zinc/09/10/27/720091027.db2.gz LKFLRHIBODARRX-QVKFZJNVSA-N 1 1 442.387 3.750 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164709632 720104182 /nfs/dbraw/zinc/10/41/82/720104182.db2.gz BQBUNKBXURLCRY-IBGZPJMESA-N 1 1 442.007 3.911 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164718061 720111177 /nfs/dbraw/zinc/11/11/77/720111177.db2.gz RGHDLPLWXRZCAK-QGZVFWFLSA-N 1 1 446.020 3.681 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164717336 720115211 /nfs/dbraw/zinc/11/52/11/720115211.db2.gz NGFWDUXCIMLNMD-LJQANCHMSA-N 1 1 442.007 3.911 20 0 IHADMO CCOc1cc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c2cc1OCC ZINC001164814935 720117924 /nfs/dbraw/zinc/11/79/24/720117924.db2.gz UOYHYGACYFPCKS-KBMIEXCESA-N 1 1 440.588 3.612 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)cnc31)CC2 ZINC001164714903 720125213 /nfs/dbraw/zinc/12/52/13/720125213.db2.gz DWXMMCQGQZRMSQ-IBGZPJMESA-N 1 1 438.963 3.581 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)C2 ZINC001164815531 720138188 /nfs/dbraw/zinc/13/81/88/720138188.db2.gz WIXSAJWNPSPPLF-OPAMFIHVSA-N 1 1 447.942 3.641 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)C2 ZINC001164816830 720155661 /nfs/dbraw/zinc/15/56/61/720155661.db2.gz NANJLZXTBXIDHJ-WNCULLNHSA-N 1 1 444.579 3.910 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001164817438 720165318 /nfs/dbraw/zinc/16/53/18/720165318.db2.gz PJEYXRKFRZFOOP-HFZDXXHNSA-N 1 1 429.568 3.877 20 0 IHADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164725468 720392405 /nfs/dbraw/zinc/39/24/05/720392405.db2.gz NOLJDHQGSKKBAK-PKTZIBPZSA-N 1 1 428.515 3.867 20 0 IHADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)c1 ZINC001164722581 720406646 /nfs/dbraw/zinc/40/66/46/720406646.db2.gz DNRVXJAHPQTPLW-QZTJIDSGSA-N 1 1 426.883 3.705 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735383 720431163 /nfs/dbraw/zinc/43/11/63/720431163.db2.gz WTVPQEBMTSKAJE-ROUUACIJSA-N 1 1 442.901 3.985 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735383 720431180 /nfs/dbraw/zinc/43/11/80/720431180.db2.gz WTVPQEBMTSKAJE-ROUUACIJSA-N 1 1 442.901 3.985 20 0 IHADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164727564 720434408 /nfs/dbraw/zinc/43/44/08/720434408.db2.gz DLSZXLFWXDTWLU-MSOLQXFVSA-N 1 1 437.569 3.733 20 0 IHADMO c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164727026 720455487 /nfs/dbraw/zinc/45/54/87/720455487.db2.gz CTVYDPWSOMAHIL-YADHBBJMSA-N 1 1 429.524 3.553 20 0 IHADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731116 720474478 /nfs/dbraw/zinc/47/44/78/720474478.db2.gz VSZSTSXFTSACMQ-IAGOWNOFSA-N 1 1 437.878 3.620 20 0 IHADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731116 720474482 /nfs/dbraw/zinc/47/44/82/720474482.db2.gz VSZSTSXFTSACMQ-IAGOWNOFSA-N 1 1 437.878 3.620 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)CC[C@@H]21 ZINC001164837918 720508250 /nfs/dbraw/zinc/50/82/50/720508250.db2.gz QOYNYWKUEOFBRK-YCPHGPKFSA-N 1 1 434.375 3.839 20 0 IHADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164833661 720510996 /nfs/dbraw/zinc/51/09/96/720510996.db2.gz DLTDTJZTPMJSPJ-WSTZPKSXSA-N 1 1 445.995 3.794 20 0 IHADMO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164835391 720532491 /nfs/dbraw/zinc/53/24/91/720532491.db2.gz HAPNHHKFEMPVNJ-QNWVGRARSA-N 1 1 433.556 3.596 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)ccc3F)CC[C@@H]21 ZINC001164835890 720540244 /nfs/dbraw/zinc/54/02/44/720540244.db2.gz IXRFFCWGALFQFP-ZOBUZTSGSA-N 1 1 427.902 3.993 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)ncc3F)CC[C@@H]21 ZINC001164836574 720541938 /nfs/dbraw/zinc/54/19/38/720541938.db2.gz KCFWHUYXHVHAJP-MPGHIAIKSA-N 1 1 427.902 3.993 20 0 IHADMO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164840665 720542300 /nfs/dbraw/zinc/54/23/00/720542300.db2.gz SMMBVVNLOZTVIK-JENIJYKNSA-N 1 1 440.979 3.866 20 0 IHADMO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164836352 720569255 /nfs/dbraw/zinc/56/92/55/720569255.db2.gz JPTYXEBVAJRHAF-SXWKCWPCSA-N 1 1 433.556 3.596 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(OCc4ccccc4)cn3)CC[C@@H]21 ZINC001164841499 720581392 /nfs/dbraw/zinc/58/13/92/720581392.db2.gz SJZSFJMFIHIDIM-VABKMULXSA-N 1 1 432.572 3.630 20 0 IHADMO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc21 ZINC001164837214 720628839 /nfs/dbraw/zinc/62/88/39/720628839.db2.gz HPUMSVYKCYNLIV-DNVFCKCGSA-N 1 1 433.556 3.596 20 0 IHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164842643 720664408 /nfs/dbraw/zinc/66/44/08/720664408.db2.gz SWJMSZANXCRWOC-QHCPKHFHSA-N 1 1 448.611 3.968 20 0 IHADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739306 720718815 /nfs/dbraw/zinc/71/88/15/720718815.db2.gz MYYDDOIIHUKNRY-CVEARBPZSA-N 1 1 431.874 3.565 20 0 IHADMO Cc1cccc2c(Cl)nnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164740198 720826950 /nfs/dbraw/zinc/82/69/50/720826950.db2.gz JLBSTYDDGRFPGZ-WSTZPKSXSA-N 1 1 437.979 3.563 20 0 IHADMO Cc1sc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164742046 720827411 /nfs/dbraw/zinc/82/74/11/720827411.db2.gz PCLNSXBXCZFZBW-HSALFYBXSA-N 1 1 437.617 3.587 20 0 IHADMO Cc1nc(C2CCCCC2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743085 720843607 /nfs/dbraw/zinc/84/36/07/720843607.db2.gz ILXYKQZDBMDIKP-WPFOTENUSA-N 1 1 435.620 3.804 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4cc(Cl)c(Cl)cc4nc3Cl)CC[C@@H]2C1 ZINC001164853761 720845881 /nfs/dbraw/zinc/84/58/81/720845881.db2.gz PEDPFPHKWHVOLU-SJKOYZFVSA-N 1 1 445.778 3.764 20 0 IHADMO Clc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(-c2ccccc2)n1 ZINC001164751194 720851418 /nfs/dbraw/zinc/85/14/18/720851418.db2.gz QQTKMVOCTZZVMN-NJDAHSKKSA-N 1 1 449.990 3.768 20 0 IHADMO Clc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(-c2ccccc2)n1 ZINC001164751198 720851668 /nfs/dbraw/zinc/85/16/68/720851668.db2.gz QQTKMVOCTZZVMN-PWRODBHTSA-N 1 1 449.990 3.768 20 0 IHADMO CC(C)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C(C)(C)C)n1 ZINC001164751905 720852058 /nfs/dbraw/zinc/85/20/58/720852058.db2.gz RONWGOLZDLUDCK-JAXLGGSGSA-N 1 1 437.636 3.868 20 0 IHADMO Fc1cc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1Cl ZINC001164750297 720856097 /nfs/dbraw/zinc/85/60/97/720856097.db2.gz PICLTINOISCLCK-NPPFBWRTSA-N 1 1 440.954 3.998 20 0 IHADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743859 720857440 /nfs/dbraw/zinc/85/74/40/720857440.db2.gz AHHSXJGGQFLVTK-YOSAUDMPSA-N 1 1 447.562 3.562 20 0 IHADMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1-c1ccccc1F ZINC001164746107 720858409 /nfs/dbraw/zinc/85/84/09/720858409.db2.gz FQDZAIBBPMPXGC-ZRCGQRJVSA-N 1 1 447.562 3.562 20 0 IHADMO Cc1nc2ccoc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748006 720868884 /nfs/dbraw/zinc/86/88/84/720868884.db2.gz DIAHUYXREOBRJJ-PXDATVDWSA-N 1 1 433.556 3.681 20 0 IHADMO Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747271 720870251 /nfs/dbraw/zinc/87/02/51/720870251.db2.gz BAMDWMCEINBWJW-NFBKMPQASA-N 1 1 427.980 3.589 20 0 IHADMO Fc1cccc2c1ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749906 720886334 /nfs/dbraw/zinc/88/63/34/720886334.db2.gz AWFKITNKFAOALG-LVXARBLLSA-N 1 1 447.558 3.919 20 0 IHADMO c1nc2c(ccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164755415 720893336 /nfs/dbraw/zinc/89/33/36/720893336.db2.gz LYYMKBUUHAWTKX-GBXCKJPGSA-N 1 1 435.597 3.841 20 0 IHADMO CC(C)(C)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164755130 720910414 /nfs/dbraw/zinc/91/04/14/720910414.db2.gz YPAZOPGAKZKRSU-ATIYNZHBSA-N 1 1 435.616 3.924 20 0 IHADMO CCc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755135 720919636 /nfs/dbraw/zinc/91/96/36/720919636.db2.gz YPZZREXWQWUWBW-HYBUGGRVSA-N 1 1 442.007 3.843 20 0 IHADMO CCc1cc(CC)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753731 720934566 /nfs/dbraw/zinc/93/45/66/720934566.db2.gz SJAFJTGBARLMBF-BKMJKUGQSA-N 1 1 435.616 3.752 20 0 IHADMO CCOC(=O)c1cc2c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)[nH]c(C)c(C)c-2n1 ZINC001164861828 720976070 /nfs/dbraw/zinc/97/60/70/720976070.db2.gz QWGBYVXFALQPIS-KRWDZBQOSA-N 1 1 438.576 3.974 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CCc3ccccc31)[C@H]2C ZINC001164864111 721000852 /nfs/dbraw/zinc/00/08/52/721000852.db2.gz XMHLQNCARHEZAB-IBGZPJMESA-N 1 1 444.583 3.902 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)[C@@H]2C ZINC001164856576 721008288 /nfs/dbraw/zinc/00/82/88/721008288.db2.gz BAUNRAANTZZXAN-BFUOFWGJSA-N 1 1 446.905 3.553 20 0 IHADMO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164863327 721032376 /nfs/dbraw/zinc/03/23/76/721032376.db2.gz RQFOAMIZAMMIDV-UHFFFAOYSA-N 1 1 428.874 3.937 20 0 IHADMO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865635 721107229 /nfs/dbraw/zinc/10/72/29/721107229.db2.gz NSZQITCZTLGEHD-OALUTQOASA-N 1 1 445.901 3.703 20 0 IHADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164873654 721128197 /nfs/dbraw/zinc/12/81/97/721128197.db2.gz JUSRXNPEVMIITQ-SJORKVTESA-N 1 1 433.890 3.636 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164774008 721159090 /nfs/dbraw/zinc/15/90/90/721159090.db2.gz ZSDOAFGQAYPSEH-IAGOWNOFSA-N 1 1 432.906 3.520 20 0 IHADMO FC(F)(Sc1ccc(Cl)nc1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868259 721187917 /nfs/dbraw/zinc/18/79/17/721187917.db2.gz LJLNTONEJKFBDT-HOTGVXAUSA-N 1 1 426.920 3.748 20 0 IHADMO FC(F)(N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164871765 721189687 /nfs/dbraw/zinc/18/96/87/721189687.db2.gz ZWYZDIDCLPQFQX-RBUKOAKNSA-N 1 1 434.918 3.730 20 0 IHADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773410 721196919 /nfs/dbraw/zinc/19/69/19/721196919.db2.gz XDZAPVQIKXTWGW-BAGYTPMASA-N 1 1 445.615 3.700 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C[C@H]3C2)cn1 ZINC001164762590 721222759 /nfs/dbraw/zinc/22/27/59/721222759.db2.gz CWMSIRPUTAKKCC-RBUKOAKNSA-N 1 1 447.568 3.552 20 0 IHADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764591 721238632 /nfs/dbraw/zinc/23/86/32/721238632.db2.gz OWNVMDJYUCBASE-RBUKOAKNSA-N 1 1 438.963 3.923 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164767987 721240091 /nfs/dbraw/zinc/24/00/91/721240091.db2.gz XITAEJDYVSUWMV-SJORKVTESA-N 1 1 442.926 3.753 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4ccccc4)n3)C2)C1 ZINC001164777336 721341464 /nfs/dbraw/zinc/34/14/64/721341464.db2.gz GJVSBIIRCILXMD-RUZDIDTESA-N 1 1 449.555 3.993 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4ccccc4)n3)C2)C1 ZINC001164777336 721341465 /nfs/dbraw/zinc/34/14/65/721341465.db2.gz GJVSBIIRCILXMD-RUZDIDTESA-N 1 1 449.555 3.993 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164780087 721342565 /nfs/dbraw/zinc/34/25/65/721342565.db2.gz ZMODAPHRDDIHHK-NHCUHLMSSA-N 1 1 438.931 3.586 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164780087 721342566 /nfs/dbraw/zinc/34/25/66/721342566.db2.gz ZMODAPHRDDIHHK-NHCUHLMSSA-N 1 1 438.931 3.586 20 0 IHADMO CCc1c(Cl)nnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1CC ZINC001164780072 721351756 /nfs/dbraw/zinc/35/17/56/721351756.db2.gz ZKGAYGRDRUVJCP-HSZRJFAPSA-N 1 1 448.011 3.979 20 0 IHADMO CCc1c(Cl)nnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1CC ZINC001164780072 721351758 /nfs/dbraw/zinc/35/17/58/721351758.db2.gz ZKGAYGRDRUVJCP-HSZRJFAPSA-N 1 1 448.011 3.979 20 0 IHADMO COc1ccc2ccc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc2c1 ZINC001164787053 721356796 /nfs/dbraw/zinc/35/67/96/721356796.db2.gz XVECTBKWUCTDOU-RUZDIDTESA-N 1 1 436.556 3.967 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccnc3Oc3ccccc3)C2)C1 ZINC001164782953 721370931 /nfs/dbraw/zinc/37/09/31/721370931.db2.gz OAYOPJBFUJQPHV-RUZDIDTESA-N 1 1 449.555 3.993 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccnc3Oc3ccccc3)C2)C1 ZINC001164782953 721370935 /nfs/dbraw/zinc/37/09/35/721370935.db2.gz OAYOPJBFUJQPHV-RUZDIDTESA-N 1 1 449.555 3.993 20 0 IHADMO COc1cccc2c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)cc(Cl)nc12 ZINC001164894086 721381143 /nfs/dbraw/zinc/38/11/43/721381143.db2.gz XMEZEPAIFKJQHQ-HOYKHHGWSA-N 1 1 445.007 3.662 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164886354 721384979 /nfs/dbraw/zinc/38/49/79/721384979.db2.gz FJLUIRCFPWPZSS-HNAYVOBHSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164892158 721385168 /nfs/dbraw/zinc/38/51/68/721385168.db2.gz RXWKOSYCRDBLCS-LPHOPBHVSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4Cl)C3)O2)CC1 ZINC001164890534 721387957 /nfs/dbraw/zinc/38/79/57/721387957.db2.gz NYUSAMKXMNBXEL-BEFAXECRSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5cc(C(C)(C)C)sc54)C3)O2)CC1 ZINC001164887251 721396666 /nfs/dbraw/zinc/39/66/66/721396666.db2.gz HISFKKZBRLEBFE-MHECFPHRSA-N 1 1 443.661 3.754 20 0 IHADMO COc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c2cc(Cl)ccc12 ZINC001164887696 721411732 /nfs/dbraw/zinc/41/17/32/721411732.db2.gz MJTPGRRSEDWHNL-NTKDMRAZSA-N 1 1 445.007 3.662 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nnc4-c4ccccc4)C3)O2)CC1 ZINC001164891143 721412339 /nfs/dbraw/zinc/41/23/39/721412339.db2.gz VHPOEFZOUCXSFM-YKSBVNFPSA-N 1 1 442.007 3.562 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5Cl)nn4)C3)O2)CC1 ZINC001164883484 721422974 /nfs/dbraw/zinc/42/29/74/721422974.db2.gz ACPDIHPFYXTDSO-DVECYGJZSA-N 1 1 442.007 3.562 20 0 IHADMO Cc1ccc2cc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164890549 721423806 /nfs/dbraw/zinc/42/38/06/721423806.db2.gz SZNZJWOYTDNTCZ-HYBUGGRVSA-N 1 1 429.008 3.962 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5cccc(Cl)c5)ncn4)C3)O2)CC1 ZINC001164891783 721438027 /nfs/dbraw/zinc/43/80/27/721438027.db2.gz HKUVMRHIHOCZCG-XUZZJYLKSA-N 1 1 442.007 3.562 20 0 IHADMO Cc1ccc(C)c(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)c1 ZINC001164897998 721439016 /nfs/dbraw/zinc/43/90/16/721439016.db2.gz VIABOXNUOBDOJI-NVQXNPDNSA-N 1 1 435.616 3.526 20 0 IHADMO C[NH+]1CCN(c2nccc(N3CCC4(CCc5ccc(-c6ccoc6)cc54)CC3)n2)CC1 ZINC001164891651 721454080 /nfs/dbraw/zinc/45/40/80/721454080.db2.gz VFEROCNWPQANSR-UHFFFAOYSA-N 1 1 429.568 3.973 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164785927 721455182 /nfs/dbraw/zinc/45/51/82/721455182.db2.gz IRRYPZXBRAQNJP-GHTZIAJQSA-N 1 1 441.975 3.596 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164786753 721460040 /nfs/dbraw/zinc/46/00/40/721460040.db2.gz PHGBOUKXRKAIQQ-NQIIRXRSSA-N 1 1 441.975 3.596 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cccc(F)c31)CC2 ZINC001164786692 721461383 /nfs/dbraw/zinc/46/13/83/721461383.db2.gz PDUTVQVGTFHLQZ-LJQANCHMSA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164790616 721467043 /nfs/dbraw/zinc/46/70/43/721467043.db2.gz SHLRSRBTQHUVGL-XMMPIXPASA-N 1 1 436.600 3.878 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164788786 721467301 /nfs/dbraw/zinc/46/73/01/721467301.db2.gz KRPFDJMVUCGXSG-QHCPKHFHSA-N 1 1 436.600 3.878 20 0 IHADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791990 721495603 /nfs/dbraw/zinc/49/56/03/721495603.db2.gz IQYQRGHNXWEBED-UHFFFAOYSA-N 1 1 435.572 3.807 20 0 IHADMO O=C1CCC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)N1Cc1ccncc1 ZINC001164896602 721506639 /nfs/dbraw/zinc/50/66/39/721506639.db2.gz IPKKZUMSJPOHSX-UHFFFAOYSA-N 1 1 439.991 3.887 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)CC[N@H+]3C2)c1 ZINC001164897193 721526002 /nfs/dbraw/zinc/52/60/02/721526002.db2.gz FIWCRIZQKCXONP-HKUYNNGSSA-N 1 1 425.895 3.673 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809560 721529549 /nfs/dbraw/zinc/52/95/49/721529549.db2.gz VKBRVOFSQWYZHM-CKEIUWERSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809560 721529553 /nfs/dbraw/zinc/52/95/53/721529553.db2.gz VKBRVOFSQWYZHM-CKEIUWERSA-N 1 1 444.313 3.592 20 0 IHADMO COc1cccc(Oc2cncc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)c1 ZINC001164907294 721546347 /nfs/dbraw/zinc/54/63/47/721546347.db2.gz MWFPAXJNOMEYRC-AVRDEDQJSA-N 1 1 436.487 3.759 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(F)c(F)cc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164807183 721547355 /nfs/dbraw/zinc/54/73/55/721547355.db2.gz PYQFGEXWYOEDPG-XUVXKRRUSA-N 1 1 445.901 3.825 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(F)c(F)cc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164807183 721547357 /nfs/dbraw/zinc/54/73/57/721547357.db2.gz PYQFGEXWYOEDPG-XUVXKRRUSA-N 1 1 445.901 3.825 20 0 IHADMO CN(C)c1ccc(-c2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164905821 721547382 /nfs/dbraw/zinc/54/73/82/721547382.db2.gz IPJQQQMTVUBOOV-FYYLOGMGSA-N 1 1 433.531 3.691 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCCCC3)[C@@H]2CCCO[C@@H]12 ZINC001164805068 721550652 /nfs/dbraw/zinc/55/06/52/721550652.db2.gz KSHQBOVFGKYIKP-NJDAHSKKSA-N 1 1 427.980 3.662 20 0 IHADMO COc1cccc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c21 ZINC001164807365 721559221 /nfs/dbraw/zinc/55/92/21/721559221.db2.gz SVLXUGNUEBYHPW-BBTUJRGHSA-N 1 1 439.947 3.555 20 0 IHADMO COc1cccc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c21 ZINC001164807365 721559223 /nfs/dbraw/zinc/55/92/23/721559223.db2.gz SVLXUGNUEBYHPW-BBTUJRGHSA-N 1 1 439.947 3.555 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1Cl ZINC001164800813 721560957 /nfs/dbraw/zinc/56/09/57/721560957.db2.gz FQBBFYCDHYXDTM-GJYPPUQNSA-N 1 1 438.906 3.552 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1Cl ZINC001164800813 721560962 /nfs/dbraw/zinc/56/09/62/721560962.db2.gz FQBBFYCDHYXDTM-GJYPPUQNSA-N 1 1 438.906 3.552 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(Oc3cccc(F)c3)n2)[C@H]2CCCO[C@@H]12 ZINC001164809932 721567982 /nfs/dbraw/zinc/56/79/82/721567982.db2.gz YIIVOSUVCTYEKP-YZUZCNPQSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(Oc3cccc(F)c3)n2)[C@H]2CCCO[C@@H]12 ZINC001164809932 721567985 /nfs/dbraw/zinc/56/79/85/721567985.db2.gz YIIVOSUVCTYEKP-YZUZCNPQSA-N 1 1 435.503 3.671 20 0 IHADMO CCN(c1ccccc1)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncn1 ZINC001164807662 721586020 /nfs/dbraw/zinc/58/60/20/721586020.db2.gz PDPJUOCSVZTIGB-JCYRPKCISA-N 1 1 444.583 3.898 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)nc2C2CC2)[C@H]2CCCO[C@@H]12 ZINC001164811352 721590162 /nfs/dbraw/zinc/59/01/62/721590162.db2.gz XLZLQHZNHYNCPP-FRQCXROJSA-N 1 1 434.371 3.924 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)nc2C2CC2)[C@H]2CCCO[C@@H]12 ZINC001164811352 721590163 /nfs/dbraw/zinc/59/01/63/721590163.db2.gz XLZLQHZNHYNCPP-FRQCXROJSA-N 1 1 434.371 3.924 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(F)ccc3c(Cl)ncnc32)[C@@H]2CCCO[C@@H]12 ZINC001164812256 721591158 /nfs/dbraw/zinc/59/11/58/721591158.db2.gz ZTNLJXAZVFJLTG-DBXWQHBBSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(F)ccc3c(Cl)ncnc32)[C@@H]2CCCO[C@@H]12 ZINC001164812256 721591159 /nfs/dbraw/zinc/59/11/59/721591159.db2.gz ZTNLJXAZVFJLTG-DBXWQHBBSA-N 1 1 427.911 3.686 20 0 IHADMO COc1ccc2ncc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164907427 721705406 /nfs/dbraw/zinc/70/54/06/721705406.db2.gz RYDDUWIHMTWRDL-JOCHJYFZSA-N 1 1 425.483 3.771 20 0 IHADMO Cc1noc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)n1 ZINC001164913865 721727059 /nfs/dbraw/zinc/72/70/59/721727059.db2.gz ZBLOSORGEWRGPP-OAQYLSRUSA-N 1 1 426.471 3.573 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3ncsc31)C2 ZINC001164910885 721755566 /nfs/dbraw/zinc/75/55/66/721755566.db2.gz SYDHRKPMBQAJQD-UHFFFAOYSA-N 1 1 426.933 3.922 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3ncsc31)C2 ZINC001164910885 721755568 /nfs/dbraw/zinc/75/55/68/721755568.db2.gz SYDHRKPMBQAJQD-UHFFFAOYSA-N 1 1 426.933 3.922 20 0 IHADMO COc1cc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c(OC)c1 ZINC001164909014 721756702 /nfs/dbraw/zinc/75/67/02/721756702.db2.gz CEWZDTQUMNAUAW-UHFFFAOYSA-N 1 1 445.523 3.830 20 0 IHADMO COc1cc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c(OC)c1 ZINC001164909014 721756706 /nfs/dbraw/zinc/75/67/06/721756706.db2.gz CEWZDTQUMNAUAW-UHFFFAOYSA-N 1 1 445.523 3.830 20 0 IHADMO FC1(F)CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@]12CCN(c1cnccn1)C2 ZINC001164915868 721802599 /nfs/dbraw/zinc/80/25/99/721802599.db2.gz LVYRYVNWPZXFNB-NRFANRHFSA-N 1 1 448.949 3.863 20 0 IHADMO COC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025114 721803527 /nfs/dbraw/zinc/80/35/27/721803527.db2.gz NPGLQHFDPVRXFB-HARLFGEKSA-N 1 1 431.540 3.548 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)C[C@H]21 ZINC001165023316 721807694 /nfs/dbraw/zinc/80/76/94/721807694.db2.gz JGNJUSYICMOVSN-DFQSSKMNSA-N 1 1 438.576 3.956 20 0 IHADMO CCOC(=O)c1cc2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2[nH]1 ZINC001165019890 721809116 /nfs/dbraw/zinc/80/91/16/721809116.db2.gz CBGIPHLMENGPNV-DWLFOUALSA-N 1 1 433.556 3.872 20 0 IHADMO COc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025978 721816627 /nfs/dbraw/zinc/81/66/27/721816627.db2.gz ORAZWHWDEXMTDF-KSEOMHKRSA-N 1 1 430.556 3.679 20 0 IHADMO COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028205 721821267 /nfs/dbraw/zinc/82/12/67/721821267.db2.gz UVSQJMAYGWEYNN-QILLFSRXSA-N 1 1 437.922 3.815 20 0 IHADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164929197 721878064 /nfs/dbraw/zinc/87/80/64/721878064.db2.gz AMEQEHKKJYYVLV-PMACEKPBSA-N 1 1 448.640 3.847 20 0 IHADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164929197 721878065 /nfs/dbraw/zinc/87/80/65/721878065.db2.gz AMEQEHKKJYYVLV-PMACEKPBSA-N 1 1 448.640 3.847 20 0 IHADMO CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H]2CC[N@H+]4CCN(C)C)n1)CCCC3 ZINC001164930923 721879606 /nfs/dbraw/zinc/87/96/06/721879606.db2.gz DJMNYONDOZMQFG-IAGOWNOFSA-N 1 1 431.675 3.648 20 0 IHADMO CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H]2CCN4CC[NH+](C)C)n1)CCCC3 ZINC001164930923 721879607 /nfs/dbraw/zinc/87/96/07/721879607.db2.gz DJMNYONDOZMQFG-IAGOWNOFSA-N 1 1 431.675 3.648 20 0 IHADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164929754 721884757 /nfs/dbraw/zinc/88/47/57/721884757.db2.gz CBZKTPYPYQCHBQ-YADHBBJMSA-N 1 1 426.008 3.890 20 0 IHADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164929754 721884759 /nfs/dbraw/zinc/88/47/59/721884759.db2.gz CBZKTPYPYQCHBQ-YADHBBJMSA-N 1 1 426.008 3.890 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@@H]3C2)nc1 ZINC001164931196 721897661 /nfs/dbraw/zinc/89/76/61/721897661.db2.gz DMPOGXSOIPYFGM-MZURWIMNSA-N 1 1 440.632 3.919 20 0 IHADMO COC(=O)c1ccc(Cl)nc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938366 721920185 /nfs/dbraw/zinc/92/01/85/721920185.db2.gz MGBYLRWTXHINCZ-UHFFFAOYSA-N 1 1 429.948 3.701 20 0 IHADMO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1C ZINC001164940242 721930198 /nfs/dbraw/zinc/93/01/98/721930198.db2.gz UBHXNFDNAVKOJE-UHFFFAOYSA-N 1 1 440.979 3.505 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)nc1 ZINC001164948303 721962214 /nfs/dbraw/zinc/96/22/14/721962214.db2.gz SVMCNSRSKQFDFE-WXFUMESZSA-N 1 1 439.604 3.713 20 0 IHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc3ccc(F)cc31)CC2 ZINC001164945852 721972167 /nfs/dbraw/zinc/97/21/67/721972167.db2.gz TYITYGSMJZYOPR-UHFFFAOYSA-N 1 1 438.934 3.998 20 0 IHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc3ccc(F)cc31)CC2 ZINC001164945852 721972169 /nfs/dbraw/zinc/97/21/69/721972169.db2.gz TYITYGSMJZYOPR-UHFFFAOYSA-N 1 1 438.934 3.998 20 0 IHADMO Cc1ccc(F)c2cc(C)c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc12 ZINC001164947712 721975912 /nfs/dbraw/zinc/97/59/12/721975912.db2.gz QXDTXAJVIFBJRT-UHFFFAOYSA-N 1 1 432.543 3.962 20 0 IHADMO Cc1ccc(F)c2cc(C)c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc12 ZINC001164947712 721975915 /nfs/dbraw/zinc/97/59/15/721975915.db2.gz QXDTXAJVIFBJRT-UHFFFAOYSA-N 1 1 432.543 3.962 20 0 IHADMO c1ccc(COc2cncc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164958814 722054155 /nfs/dbraw/zinc/05/41/55/722054155.db2.gz GUWPCBPQLVCFPM-UHFFFAOYSA-N 1 1 445.567 3.570 20 0 IHADMO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)s1 ZINC001164963212 722056897 /nfs/dbraw/zinc/05/68/97/722056897.db2.gz IQCPIYXSJNASQC-UHFFFAOYSA-N 1 1 444.992 3.562 20 0 IHADMO CC(C)(C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164960657 722058859 /nfs/dbraw/zinc/05/88/59/722058859.db2.gz GDKOOSASWMPECO-UHFFFAOYSA-N 1 1 434.588 3.769 20 0 IHADMO COc1cc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2cc1F ZINC001164964673 722061795 /nfs/dbraw/zinc/06/17/95/722061795.db2.gz HSTLCCNUPNBPOQ-UHFFFAOYSA-N 1 1 436.531 3.897 20 0 IHADMO Fc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)cc1 ZINC001164967626 722078064 /nfs/dbraw/zinc/07/80/64/722078064.db2.gz GZNZZURCRJPTEU-CALCHBBNSA-N 1 1 438.881 3.780 20 0 IHADMO Fc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)cc1 ZINC001164967626 722078065 /nfs/dbraw/zinc/07/80/65/722078065.db2.gz GZNZZURCRJPTEU-CALCHBBNSA-N 1 1 438.881 3.780 20 0 IHADMO Clc1cc(-c2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)ccn1 ZINC001164986560 722107220 /nfs/dbraw/zinc/10/72/20/722107220.db2.gz ZHJGNTFBTZTLPW-FGZHOGPDSA-N 1 1 435.959 3.919 20 0 IHADMO Fc1cccc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164972413 722110159 /nfs/dbraw/zinc/11/01/59/722110159.db2.gz FDJJBQZGSSOIHJ-QFBILLFUSA-N 1 1 427.911 3.545 20 0 IHADMO Clc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(Cc2ccccc2)n1 ZINC001164978316 722111069 /nfs/dbraw/zinc/11/10/69/722111069.db2.gz OKNKCYJZTPUXSX-FGZHOGPDSA-N 1 1 449.986 3.843 20 0 IHADMO Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CCCCC2 ZINC001164976657 722113377 /nfs/dbraw/zinc/11/33/77/722113377.db2.gz MAYVNGBLVUVWHL-GHTZIAJQSA-N 1 1 427.980 3.521 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983669 722129294 /nfs/dbraw/zinc/12/92/94/722129294.db2.gz YZQXXQCVLPPNEY-DENIHFKCSA-N 1 1 429.524 3.807 20 0 IHADMO Fc1cc2ncnc(Cl)c2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982188 722135490 /nfs/dbraw/zinc/13/54/90/722135490.db2.gz RIMKNBJCUFJTFL-JXFKEZNVSA-N 1 1 427.911 3.545 20 0 IHADMO Clc1cccc(-c2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)c1 ZINC001164984964 722144882 /nfs/dbraw/zinc/14/48/82/722144882.db2.gz YMBDYVNLJIMDNJ-REWPJTCUSA-N 1 1 435.959 3.919 20 0 IHADMO CCc1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164977093 722147073 /nfs/dbraw/zinc/14/70/73/722147073.db2.gz IROJPPLRCFYWOQ-UKILVPOCSA-N 1 1 429.568 3.828 20 0 IHADMO Fc1cccc(F)c1-c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973103 722147086 /nfs/dbraw/zinc/14/70/86/722147086.db2.gz AYAHOKARESBWEU-PGRDOPGGSA-N 1 1 437.494 3.544 20 0 IHADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971649 722153590 /nfs/dbraw/zinc/15/35/90/722153590.db2.gz CNHGMVMJGSEIKN-PMACEKPBSA-N 1 1 429.996 3.759 20 0 IHADMO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972574 722156262 /nfs/dbraw/zinc/15/62/62/722156262.db2.gz INBNXMCXPFFSKZ-AEFFLSMTSA-N 1 1 440.947 3.995 20 0 IHADMO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975297 722159028 /nfs/dbraw/zinc/15/90/28/722159028.db2.gz RPQGSBXPHICOFZ-UTKZUKDTSA-N 1 1 448.945 3.891 20 0 IHADMO NC(=O)c1ccc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164994001 722192175 /nfs/dbraw/zinc/19/21/75/722192175.db2.gz KOMMMNGFDGASPS-FQEVSTJZSA-N 1 1 438.881 3.763 20 0 IHADMO NC(=O)c1ccc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164994001 722192178 /nfs/dbraw/zinc/19/21/78/722192178.db2.gz KOMMMNGFDGASPS-FQEVSTJZSA-N 1 1 438.881 3.763 20 0 IHADMO Cc1nc(CO[C@@H]2COC3(C2)CCN(c2ccc(C[N@H+](C)C4CC4)cn2)CC3)cs1 ZINC001165006989 722273132 /nfs/dbraw/zinc/27/31/32/722273132.db2.gz SHYZFPRZPXTTQR-NRFANRHFSA-N 1 1 428.602 3.785 20 0 IHADMO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(Br)c1O ZINC000680627729 1126105847 /nfs/dbraw/zinc/10/58/47/1126105847.db2.gz QZZYBHGXHXDQNZ-SUMWQHHRSA-N 1 1 434.252 3.787 20 0 IHADMO COc1ccccc1-c1nnc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)o1 ZINC001198219791 1126154965 /nfs/dbraw/zinc/15/49/65/1126154965.db2.gz SGUPWGJONTXQEZ-FQEVSTJZSA-N 1 1 432.318 3.591 20 0 IHADMO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(-c3ccc(Br)s3)no2)cc1 ZINC001473838715 1126199384 /nfs/dbraw/zinc/19/93/84/1126199384.db2.gz KFWDZGWGYFMFMH-SFHVURJKSA-N 1 1 438.347 3.653 20 0 IHADMO Cc1ccccc1Cc1noc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001620418849 1126240143 /nfs/dbraw/zinc/24/01/43/1126240143.db2.gz GJCGPTPKLNYJTM-JOCHJYFZSA-N 1 1 442.357 3.741 20 0 IHADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC001164625960 719095646 /nfs/dbraw/zinc/09/56/46/719095646.db2.gz HTCUYUNGPNPJRF-LPHOPBHVSA-N 1 1 439.947 3.509 20 0 IHADMO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2c1C ZINC001164637179 719237736 /nfs/dbraw/zinc/23/77/36/719237736.db2.gz UMISKNYKRVDHMJ-HZPDHXFCSA-N 1 1 445.633 3.691 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](N3CCCC3=O)C2)nc1 ZINC001164649743 719305801 /nfs/dbraw/zinc/30/58/01/719305801.db2.gz XPDOHRVDCCWERL-MTQWNXOMSA-N 1 1 426.605 3.625 20 0 IHADMO CCOc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164684144 719667641 /nfs/dbraw/zinc/66/76/41/719667641.db2.gz SISJOVVWCDYHQU-FQEVSTJZSA-N 1 1 436.600 3.574 20 0 IHADMO COC(=O)c1cccc2nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)ncc21 ZINC001164691991 719806654 /nfs/dbraw/zinc/80/66/54/719806654.db2.gz DRMMTKRBWHQIAO-UHFFFAOYSA-N 1 1 437.569 3.816 20 0 IHADMO CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)[nH+]cc21 ZINC001164696891 719897074 /nfs/dbraw/zinc/89/70/74/719897074.db2.gz IFNHJRSBOXIPCN-UHFFFAOYSA-N 1 1 440.569 3.673 20 0 IHADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@H]2CCCO[C@@H]12 ZINC001164710363 720063590 /nfs/dbraw/zinc/06/35/90/720063590.db2.gz FDGQBRNSDCPKNC-NJNPRVFISA-N 1 1 442.629 3.939 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164710298 720099267 /nfs/dbraw/zinc/09/92/67/720099267.db2.gz IIMLWWDLPSFNSE-IBGZPJMESA-N 1 1 427.980 3.910 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccoc31)CC2 ZINC001164711518 720101661 /nfs/dbraw/zinc/10/16/61/720101661.db2.gz QGVKADQANRVHSU-QGZVFWFLSA-N 1 1 427.936 3.779 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)nc1)CC2 ZINC001164711590 720102814 /nfs/dbraw/zinc/10/28/14/720102814.db2.gz RFBRVWJPODOWRM-SFHVURJKSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(OC)cc31)CC2 ZINC001164710686 720104715 /nfs/dbraw/zinc/10/47/15/720104715.db2.gz LCCZPFJKWBDQDB-FQEVSTJZSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)c3cc(OC)ccc3n1)CC2 ZINC001164716941 720125233 /nfs/dbraw/zinc/12/52/33/720125233.db2.gz LYSYNUZNZIVTPU-OAQYLSRUSA-N 1 1 447.583 3.849 20 0 IHADMO C=Cc1nc(Cl)nc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1OC ZINC001164711301 720138536 /nfs/dbraw/zinc/13/85/36/720138536.db2.gz HDKPNRHUAGKUTM-GOSISDBHSA-N 1 1 443.979 3.684 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccncc3)n1)CC2 ZINC001164712707 720138885 /nfs/dbraw/zinc/13/88/85/720138885.db2.gz ONKQTZNRJMHAOV-HSZRJFAPSA-N 1 1 444.583 3.750 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccccn3)n1)CC2 ZINC001164711236 720141506 /nfs/dbraw/zinc/14/15/06/720141506.db2.gz GHYVTHAHWPUCMP-JOCHJYFZSA-N 1 1 444.583 3.750 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164710842 720148443 /nfs/dbraw/zinc/14/84/43/720148443.db2.gz DSFMDGSMKUWLRR-DEOSSOPVSA-N 1 1 443.595 3.970 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164817113 720149108 /nfs/dbraw/zinc/14/91/08/720149108.db2.gz OAKSETJFAMRIRG-HYBUGGRVSA-N 1 1 426.992 3.906 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164818368 720153884 /nfs/dbraw/zinc/15/38/84/720153884.db2.gz SLNIGSINRMCRIT-KBXCAEBGSA-N 1 1 435.346 3.599 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)C2 ZINC001164816832 720154582 /nfs/dbraw/zinc/15/45/82/720154582.db2.gz NANJLZXTBXIDHJ-YIXXDRMTSA-N 1 1 444.579 3.910 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164818163 720166337 /nfs/dbraw/zinc/16/63/37/720166337.db2.gz RYHVNFPQNJFCDN-FNZWTVRRSA-N 1 1 429.568 3.877 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)C2 ZINC001164812998 720191623 /nfs/dbraw/zinc/19/16/23/720191623.db2.gz BJEIMSPNZGHBPP-CPJSRVTESA-N 1 1 438.572 3.771 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc3c(Cl)ccnc31)CCC2 ZINC001164812698 720222709 /nfs/dbraw/zinc/22/27/09/720222709.db2.gz IISGYTLHEOVUBS-UHFFFAOYSA-N 1 1 447.370 3.744 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(C3CCCCC3)n1)CCC2 ZINC001164816770 720245324 /nfs/dbraw/zinc/24/53/24/720245324.db2.gz MKXYJQPDYUDMJC-UHFFFAOYSA-N 1 1 445.011 3.985 20 0 IHADMO Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)ccc2C[NH+]2CCCC2)cs1 ZINC001164817064 720254786 /nfs/dbraw/zinc/25/47/86/720254786.db2.gz OQMLSFDITGCAPV-RBUKOAKNSA-N 1 1 446.020 3.866 20 0 IHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164730267 720427871 /nfs/dbraw/zinc/42/78/71/720427871.db2.gz JDQKWXHBKRPKCX-PMACEKPBSA-N 1 1 437.931 3.708 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735382 720432471 /nfs/dbraw/zinc/43/24/71/720432471.db2.gz WTVPQEBMTSKAJE-QZTJIDSGSA-N 1 1 442.901 3.985 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735382 720432478 /nfs/dbraw/zinc/43/24/78/720432478.db2.gz WTVPQEBMTSKAJE-QZTJIDSGSA-N 1 1 442.901 3.985 20 0 IHADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731117 720473564 /nfs/dbraw/zinc/47/35/64/720473564.db2.gz VSZSTSXFTSACMQ-IRXDYDNUSA-N 1 1 437.878 3.620 20 0 IHADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731117 720473573 /nfs/dbraw/zinc/47/35/73/720473573.db2.gz VSZSTSXFTSACMQ-IRXDYDNUSA-N 1 1 437.878 3.620 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840012 720510305 /nfs/dbraw/zinc/51/03/05/720510305.db2.gz VTMUZNKMJIRCMY-OFQRWUPVSA-N 1 1 445.345 3.903 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cncc(OCc4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834337 720519243 /nfs/dbraw/zinc/51/92/43/720519243.db2.gz FPKXAMXIAQPWLT-XPWALMASSA-N 1 1 432.572 3.630 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)Oc3cccc(Cl)n3)CC[C@@H]21 ZINC001164837926 720524861 /nfs/dbraw/zinc/52/48/61/720524861.db2.gz QQJSWUSABSRNDZ-IKGGRYGDSA-N 1 1 425.911 3.734 20 0 IHADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)n1 ZINC001164842402 720540055 /nfs/dbraw/zinc/54/00/55/720540055.db2.gz XCJYTVQSFVTIJW-JFIYKMOQSA-N 1 1 439.938 3.863 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836579 720542118 /nfs/dbraw/zinc/54/21/18/720542118.db2.gz KCFWHUYXHVHAJP-RVKKMQEKSA-N 1 1 427.902 3.993 20 0 IHADMO 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CCN1C(=O)[C@]2(CC[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]32)N=C1C ZINC001164872884 721227997 /nfs/dbraw/zinc/22/79/97/721227997.db2.gz OWDROBHRDPHSFA-JEYPMZLKSA-N 1 1 443.595 3.505 20 0 IHADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001164764673 721238301 /nfs/dbraw/zinc/23/83/01/721238301.db2.gz PKADUFNFRGINIK-OALUTQOASA-N 1 1 438.963 3.923 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4c3CCC4)C2)C1 ZINC001164779048 721343212 /nfs/dbraw/zinc/34/32/12/721343212.db2.gz POAGXYCIZRABLS-HSZRJFAPSA-N 1 1 430.980 3.948 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164780091 721343279 /nfs/dbraw/zinc/34/32/79/721343279.db2.gz ZMODAPHRDDIHHK-SFTDATJTSA-N 1 1 438.931 3.586 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164780091 721343282 /nfs/dbraw/zinc/34/32/82/721343282.db2.gz ZMODAPHRDDIHHK-SFTDATJTSA-N 1 1 438.931 3.586 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164776195 721350893 /nfs/dbraw/zinc/35/08/93/721350893.db2.gz ALCSDFZURRCHTB-SFTDATJTSA-N 1 1 438.931 3.586 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164776195 721350896 /nfs/dbraw/zinc/35/08/96/721350896.db2.gz ALCSDFZURRCHTB-SFTDATJTSA-N 1 1 438.931 3.586 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccccn4)n3)C2)C1 ZINC001164786042 721365489 /nfs/dbraw/zinc/36/54/89/721365489.db2.gz UZCVGCDVYANFGO-VWLOTQADSA-N 1 1 448.571 3.571 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccccn4)n3)C2)C1 ZINC001164786042 721365491 /nfs/dbraw/zinc/36/54/91/721365491.db2.gz UZCVGCDVYANFGO-VWLOTQADSA-N 1 1 448.571 3.571 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164893581 721387020 /nfs/dbraw/zinc/38/70/20/721387020.db2.gz VJVHVNRLKNDMHR-VQIMIIECSA-N 1 1 449.373 3.699 20 0 IHADMO COc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c2cc(Cl)ccc12 ZINC001164887695 721411829 /nfs/dbraw/zinc/41/18/29/721411829.db2.gz MJTPGRRSEDWHNL-DVECYGJZSA-N 1 1 445.007 3.662 20 0 IHADMO Cc1ccc(F)c2cc(C)c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc12 ZINC001164891978 721421110 /nfs/dbraw/zinc/42/11/10/721421110.db2.gz XMMIKNWVBJNSLM-NBGIEHNGSA-N 1 1 426.580 3.756 20 0 IHADMO c1csc(-c2noc(-c3ccnc(N4C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C4)c3)n2)c1 ZINC001164784400 721432154 /nfs/dbraw/zinc/43/21/54/721432154.db2.gz LKCKPFGUIPSGSQ-HZPDHXFCSA-N 1 1 436.566 3.885 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C(C)(C)C)nc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164892339 721432220 /nfs/dbraw/zinc/43/22/20/721432220.db2.gz IELJWKUQDGFKHM-FQRUVTKNSA-N 1 1 443.680 3.837 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164787768 721454102 /nfs/dbraw/zinc/45/41/02/721454102.db2.gz QGBVEELYVZORSM-LJQANCHMSA-N 1 1 449.039 3.743 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164785930 721455118 /nfs/dbraw/zinc/45/51/18/721455118.db2.gz IRRYPZXBRAQNJP-WIYYLYMNSA-N 1 1 441.975 3.596 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(OCC(C)C)n1)CC2 ZINC001164784453 721464088 /nfs/dbraw/zinc/46/40/88/721464088.db2.gz IBVKMGMSXZFCCA-JOCHJYFZSA-N 1 1 431.621 3.850 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(C)c(C)cc31)CC2 ZINC001164788133 721470543 /nfs/dbraw/zinc/47/05/43/721470543.db2.gz IGIYWSVFNQLZOC-QFIPXVFZSA-N 1 1 438.616 3.981 20 0 IHADMO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792567 721489671 /nfs/dbraw/zinc/48/96/71/721489671.db2.gz KUWQXPPEZHAMBH-UHFFFAOYSA-N 1 1 429.952 3.583 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)CC[N@H+]3C2)c1 ZINC001164897204 721525816 /nfs/dbraw/zinc/52/58/16/721525816.db2.gz FIWCRIZQKCXONP-PKOBYXMFSA-N 1 1 425.895 3.673 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)CC[N@H+]3C2)c1 ZINC001164908315 721548977 /nfs/dbraw/zinc/54/89/77/721548977.db2.gz PSZUXYAPSOKFOH-UKRRQHHQSA-N 1 1 447.288 3.895 20 0 IHADMO COc1cccc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c21 ZINC001164807367 721559180 /nfs/dbraw/zinc/55/91/80/721559180.db2.gz SVLXUGNUEBYHPW-LQWHRVPQSA-N 1 1 439.947 3.555 20 0 IHADMO COc1cccc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c21 ZINC001164807367 721559185 /nfs/dbraw/zinc/55/91/85/721559185.db2.gz SVLXUGNUEBYHPW-LQWHRVPQSA-N 1 1 439.947 3.555 20 0 IHADMO Cc1nc(C)c(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)s1 ZINC001164903595 721562141 /nfs/dbraw/zinc/56/21/41/721562141.db2.gz CWSXVIKLUDOFCG-HKUYNNGSSA-N 1 1 425.533 3.698 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164801663 721564881 /nfs/dbraw/zinc/56/48/81/721564881.db2.gz HAFGENHIMPJFSH-QTEQDKRBSA-N 1 1 429.524 3.948 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164801663 721564882 /nfs/dbraw/zinc/56/48/82/721564882.db2.gz HAFGENHIMPJFSH-QTEQDKRBSA-N 1 1 429.524 3.948 20 0 IHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@@H]3C(=O)N(C)C)CC2)n1 ZINC001164903958 721570906 /nfs/dbraw/zinc/57/09/06/721570906.db2.gz SRIFCPQXSUQXHW-QGZVFWFLSA-N 1 1 429.634 3.845 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3cccc(F)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164809871 721571557 /nfs/dbraw/zinc/57/15/57/721571557.db2.gz XRZXBSUJAFRVOH-XJUOHMSHSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3cccc(F)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164809871 721571560 /nfs/dbraw/zinc/57/15/60/721571560.db2.gz XRZXBSUJAFRVOH-XJUOHMSHSA-N 1 1 435.503 3.671 20 0 IHADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4CC[C@H](C3)C4C(=O)Nc3cccc(F)c3)c2)CC1 ZINC001164900922 721572177 /nfs/dbraw/zinc/57/21/77/721572177.db2.gz BASCTXZSDFHKJT-QLCVBSLISA-N 1 1 438.547 3.795 20 0 IHADMO FC(F)(c1cc(Cl)ncn1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905064 721582634 /nfs/dbraw/zinc/58/26/34/721582634.db2.gz RXLYZMSHNYMUME-KRWDZBQOSA-N 1 1 429.849 3.808 20 0 IHADMO Cc1cc(OCc2ccccc2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164804139 721587264 /nfs/dbraw/zinc/58/72/64/721587264.db2.gz IZCWVWCCEXYOCU-CUYJMHBOSA-N 1 1 445.567 3.627 20 0 IHADMO Cc1cc(OCc2ccccc2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164804139 721587267 /nfs/dbraw/zinc/58/72/67/721587267.db2.gz IZCWVWCCEXYOCU-CUYJMHBOSA-N 1 1 445.567 3.627 20 0 IHADMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1-c1ccccc1F ZINC001164811272 721589255 /nfs/dbraw/zinc/58/92/55/721589255.db2.gz XCEVWVJWRFXBDQ-GPXNEJASSA-N 1 1 433.531 3.854 20 0 IHADMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1-c1ccccc1F ZINC001164811272 721589259 /nfs/dbraw/zinc/58/92/59/721589259.db2.gz XCEVWVJWRFXBDQ-GPXNEJASSA-N 1 1 433.531 3.854 20 0 IHADMO Cc1c(Cl)nc(C2CCC2)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164801131 721589421 /nfs/dbraw/zinc/58/94/21/721589421.db2.gz DRYCUHBKOJHUBW-UFYCRDLUSA-N 1 1 427.980 3.969 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(F)ccc3c(Cl)ncnc32)[C@H]2CCCO[C@H]12 ZINC001164812260 721591183 /nfs/dbraw/zinc/59/11/83/721591183.db2.gz ZTNLJXAZVFJLTG-UEXGIBASSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(F)ccc3c(Cl)ncnc32)[C@H]2CCCO[C@H]12 ZINC001164812260 721591184 /nfs/dbraw/zinc/59/11/84/721591184.db2.gz ZTNLJXAZVFJLTG-UEXGIBASSA-N 1 1 427.911 3.686 20 0 IHADMO COc1ccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908366 721693220 /nfs/dbraw/zinc/69/32/20/721693220.db2.gz YOAUPBJWSLCXCL-JOCHJYFZSA-N 1 1 425.483 3.771 20 0 IHADMO CCOC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1C ZINC001164904159 721708748 /nfs/dbraw/zinc/70/87/48/721708748.db2.gz AIQPFZPBOVBHCQ-JOCHJYFZSA-N 1 1 430.499 3.699 20 0 IHADMO COC(=O)/C=C/c1cc(C)cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904358 721717499 /nfs/dbraw/zinc/71/74/99/721717499.db2.gz CGNDNICNAYLQRP-BMOUEYTDSA-N 1 1 442.510 3.709 20 0 IHADMO CC(C)OC(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912593 721734430 /nfs/dbraw/zinc/73/44/30/721734430.db2.gz OCYZNHQOWCDTEQ-JOCHJYFZSA-N 1 1 430.499 3.780 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)N3CCCC3)ccn1)C2 ZINC001164910109 721758292 /nfs/dbraw/zinc/75/82/92/721758292.db2.gz MNOJQOIYBLEMHK-UHFFFAOYSA-N 1 1 431.540 3.500 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)N3CCCC3)ccn1)C2 ZINC001164910109 721758296 /nfs/dbraw/zinc/75/82/96/721758296.db2.gz MNOJQOIYBLEMHK-UHFFFAOYSA-N 1 1 431.540 3.500 20 0 IHADMO Cc1ccc2nc(Cl)cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912738 721777177 /nfs/dbraw/zinc/77/71/77/721777177.db2.gz PDHPWSJYMGHZOK-DEOSSOPVSA-N 1 1 438.959 3.699 20 0 IHADMO Cc1ccc2nc(Cl)cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912738 721777182 /nfs/dbraw/zinc/77/71/82/721777182.db2.gz PDHPWSJYMGHZOK-DEOSSOPVSA-N 1 1 438.959 3.699 20 0 IHADMO Cc1ccc2c(C)cc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)[nH+]c2c1C ZINC001164913881 721795562 /nfs/dbraw/zinc/79/55/62/721795562.db2.gz IBPLSXKAFUORSY-SANMLTNESA-N 1 1 432.568 3.663 20 0 IHADMO CCOC(=O)c1cc2cccnc2nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024260 721811547 /nfs/dbraw/zinc/81/15/47/721811547.db2.gz KDDCSOWOZAMWFT-VJBMBRPKSA-N 1 1 445.567 3.938 20 0 IHADMO CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026032 721814059 /nfs/dbraw/zinc/81/40/59/721814059.db2.gz OVYXBJCFBPJFJJ-PWIZWCRZSA-N 1 1 443.979 3.500 20 0 IHADMO COc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c(OC)c1 ZINC001165029644 721815015 /nfs/dbraw/zinc/81/50/15/721815015.db2.gz ZWRUZLRXUQQTJM-XJABCFGWSA-N 1 1 433.556 3.779 20 0 IHADMO COC(=O)c1c(Cl)cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001165027410 721821068 /nfs/dbraw/zinc/82/10/68/721821068.db2.gz SBQDTKCXZUGMPG-WDYCEAGBSA-N 1 1 444.963 3.662 20 0 IHADMO COC(=O)c1c(Cl)cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001165027401 721821384 /nfs/dbraw/zinc/82/13/84/721821384.db2.gz SBQDTKCXZUGMPG-KVSKMBFKSA-N 1 1 444.963 3.662 20 0 IHADMO CCOC(=O)c1cnc2cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH]cc1-2 ZINC001165027320 721822353 /nfs/dbraw/zinc/82/23/53/721822353.db2.gz RWVMDHGLKIFJSY-JWNTYJGQSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cnc2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH]cc1-2 ZINC001165027320 721822355 /nfs/dbraw/zinc/82/23/55/721822355.db2.gz RWVMDHGLKIFJSY-JWNTYJGQSA-N 1 1 433.556 3.872 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)Oc2cnc(Cl)cn2)CC1 ZINC001165030998 721845254 /nfs/dbraw/zinc/84/52/54/721845254.db2.gz NZBKJRQNOLQBAS-UHFFFAOYSA-N 1 1 442.894 3.673 20 0 IHADMO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164936605 721910745 /nfs/dbraw/zinc/91/07/45/721910745.db2.gz YUNHUXSNMLSMMA-UZLBHIALSA-N 1 1 428.939 3.821 20 0 IHADMO COC(=O)c1cc(Cl)cnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939564 721920913 /nfs/dbraw/zinc/92/09/13/721920913.db2.gz USYYGIZARZZNSH-UHFFFAOYSA-N 1 1 429.948 3.701 20 0 IHADMO COC(=O)c1c(Cl)ccnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938245 721922089 /nfs/dbraw/zinc/92/20/89/721922089.db2.gz JZYICXDYFPVLEJ-UHFFFAOYSA-N 1 1 429.948 3.701 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C(=O)NC(C)(C)C)ccn4)CC3)C2)cc1 ZINC001164938639 721929122 /nfs/dbraw/zinc/92/91/22/721929122.db2.gz CCKGQOIAFMJZRC-UHFFFAOYSA-N 1 1 436.600 3.790 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCC[C@H](C)C5)ncn4)CC3)C2)cc1 ZINC001164938631 721932718 /nfs/dbraw/zinc/93/27/18/721932718.db2.gz BYGQAYDHOFICCC-QFIPXVFZSA-N 1 1 435.616 3.893 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc[n+]([O-])c(Cl)c4)CC3)C2)cc1 ZINC001164942819 721933676 /nfs/dbraw/zinc/93/36/76/721933676.db2.gz NBHGMBZHKGMDKK-UHFFFAOYSA-N 1 1 437.918 3.698 20 0 IHADMO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049776 721977027 /nfs/dbraw/zinc/97/70/27/721977027.db2.gz QZCZKSQIBIZBQZ-HXUWFJFHSA-N 1 1 432.565 3.866 20 0 IHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCNC(=O)C4(C)C)c23)C1 ZINC001165051817 721995011 /nfs/dbraw/zinc/99/50/11/721995011.db2.gz LLODLXCDOOITDY-OAHLLOKOSA-N 1 1 427.618 3.517 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc1 ZINC001165052518 721999555 /nfs/dbraw/zinc/99/95/55/721999555.db2.gz SPJRJBALOXGINW-HNNXBMFYSA-N 1 1 426.512 3.825 20 0 IHADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164956043 722020784 /nfs/dbraw/zinc/02/07/84/722020784.db2.gz VAISRCQOXBQUTB-UHFFFAOYSA-N 1 1 425.936 3.851 20 0 IHADMO c1cncc(C[N@H+]2CCC3(C2)CCN(c2nc(-c4cccnc4)nc4c2CCC4)CC3)c1 ZINC001164958060 722023223 /nfs/dbraw/zinc/02/32/23/722023223.db2.gz FEQMKVCWLQVLGH-UHFFFAOYSA-N 1 1 426.568 3.915 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)nc1 ZINC001164956137 722035105 /nfs/dbraw/zinc/03/51/05/722035105.db2.gz CCZNAGQRSAARLJ-ZEVJAHDQSA-N 1 1 433.600 3.946 20 0 IHADMO CCOc1ccc2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164964509 722056915 /nfs/dbraw/zinc/05/69/15/722056915.db2.gz VHMFXFMISBQMIG-UHFFFAOYSA-N 1 1 433.556 3.543 20 0 IHADMO COc1cc2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2cc1OC ZINC001164964077 722057150 /nfs/dbraw/zinc/05/71/50/722057150.db2.gz RGJUXEHQNAZSKM-UHFFFAOYSA-N 1 1 448.567 3.766 20 0 IHADMO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966397 722062126 /nfs/dbraw/zinc/06/21/26/722062126.db2.gz SAXFIGCHOCTDFU-UHFFFAOYSA-N 1 1 436.387 3.860 20 0 IHADMO O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164963644 722064357 /nfs/dbraw/zinc/06/43/57/722064357.db2.gz BVMWIXMQTGKHOE-GOTSBHOMSA-N 1 1 445.592 3.590 20 0 IHADMO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164975492 722097686 /nfs/dbraw/zinc/09/76/86/722097686.db2.gz BZPZSMFRLFOPOI-TUNNFDKTSA-N 1 1 439.991 3.877 20 0 IHADMO c1[nH]c2ccccc2c1-c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981122 722114374 /nfs/dbraw/zinc/11/43/74/722114374.db2.gz SSNGWSQYNOMYHF-NLFFAJNJSA-N 1 1 440.551 3.747 20 0 IHADMO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)C1 ZINC001164978213 722115497 /nfs/dbraw/zinc/11/54/97/722115497.db2.gz NVSOQPZQFJSOOP-YFVAEKQCSA-N 1 1 449.624 3.938 20 0 IHADMO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)C1 ZINC001164978211 722115694 /nfs/dbraw/zinc/11/56/94/722115694.db2.gz NVSOQPZQFJSOOP-SLYNCCJLSA-N 1 1 449.624 3.938 20 0 IHADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974384 722134796 /nfs/dbraw/zinc/13/47/96/722134796.db2.gz DMCZWNMMXHZSSR-QZTJIDSGSA-N 1 1 447.917 3.884 20 0 IHADMO Fc1cc2ncnc(Cl)c2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982194 722135974 /nfs/dbraw/zinc/13/59/74/722135974.db2.gz RIMKNBJCUFJTFL-OXJNMPFZSA-N 1 1 427.911 3.545 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971712 722154177 /nfs/dbraw/zinc/15/41/77/722154177.db2.gz DIUWGJXHQILCEF-XUZZJYLKSA-N 1 1 433.531 3.713 20 0 IHADMO FC(F)(N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164975271 722157262 /nfs/dbraw/zinc/15/72/62/722157262.db2.gz QSBKRLHQQIJHCI-ICSRJNTNSA-N 1 1 448.945 3.977 20 0 IHADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@@]4(C[C@@H](OCC5CCCC5)CO4)C3)c2)CC1 ZINC001164973749 722166043 /nfs/dbraw/zinc/16/60/43/722166043.db2.gz CRQSXFMNFQADDS-ILBGXUMGSA-N 1 1 429.605 3.889 20 0 IHADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993614 722198210 /nfs/dbraw/zinc/19/82/10/722198210.db2.gz FNYDKUKPNKYCDD-QFIPXVFZSA-N 1 1 432.927 3.620 20 0 IHADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2nc(Cl)nc4[nH]cnc42)C3)c1 ZINC001164996620 722208320 /nfs/dbraw/zinc/20/83/20/722208320.db2.gz ULPDDRUUECLNQR-LJQANCHMSA-N 1 1 436.869 3.887 20 0 IHADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2nc(Cl)nc4[nH]cnc42)C3)c1 ZINC001164996620 722208323 /nfs/dbraw/zinc/20/83/23/722208323.db2.gz ULPDDRUUECLNQR-LJQANCHMSA-N 1 1 436.869 3.887 20 0 IHADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)cc(O[C@@H]4CCOC4)n2)C3)c1 ZINC001164995035 722212783 /nfs/dbraw/zinc/21/27/83/722212783.db2.gz FNQMGOXROQDTOI-GCJKJVERSA-N 1 1 432.927 3.682 20 0 IHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(Cl)nc4cc(Cl)ccc42)CC3)CC1 ZINC001164997092 722232356 /nfs/dbraw/zinc/23/23/56/722232356.db2.gz PGKUNVDBOHVGOA-UHFFFAOYSA-N 1 1 443.382 3.689 20 0 IHADMO Cn1c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)nc2ccc(Br)cc21 ZINC001197297833 1126154017 /nfs/dbraw/zinc/15/40/17/1126154017.db2.gz RWPWVXZUSCEBQK-YJBOKZPZSA-N 1 1 442.279 3.960 20 0 IHADMO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(Cc2cccc(F)c2)no1 ZINC001473840405 1126200877 /nfs/dbraw/zinc/20/08/77/1126200877.db2.gz XFXGFPKCXLLRRP-HXUWFJFHSA-N 1 1 434.309 3.645 20 0 IHADMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC000096939753 563200053 /nfs/dbraw/zinc/20/00/53/563200053.db2.gz GYUSVTHARXVPOC-IBGZPJMESA-N 1 1 431.536 3.892 20 0 IHADMO C[N@@H+](Cc1ccc(N2CCO[C@H](c3ncn4c3cccc4Br)C2)nc1)C1CC1 ZINC001164416308 718891262 /nfs/dbraw/zinc/89/12/62/718891262.db2.gz DFZPFDULDJBAPB-SFHVURJKSA-N 1 1 442.361 3.664 20 0 IHADMO CCOC(=O)[C@]12C[C@H]1CCN2c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164619732 719041896 /nfs/dbraw/zinc/04/18/96/719041896.db2.gz DTHHANITOVELFV-DXMSMQRWSA-N 1 1 440.613 3.944 20 0 IHADMO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2nc3ccccc3nc2N2CCOCC2)cc1 ZINC001164625951 719076647 /nfs/dbraw/zinc/07/66/47/719076647.db2.gz NTKQIWQBXJGHGM-URXFXBBRSA-N 1 1 429.568 3.567 20 0 IHADMO CCOC(=O)c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1C(=O)OCC ZINC001164627473 719112875 /nfs/dbraw/zinc/11/28/75/719112875.db2.gz KWINGJTXHNQICW-DENIHFKCSA-N 1 1 437.540 3.536 20 0 IHADMO CCOC(=O)c1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1C(=O)OCC ZINC001164627477 719114825 /nfs/dbraw/zinc/11/48/25/719114825.db2.gz KWINGJTXHNQICW-SIKLNZKXSA-N 1 1 437.540 3.536 20 0 IHADMO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2c1C ZINC001164637166 719237209 /nfs/dbraw/zinc/23/72/09/719237209.db2.gz UMISKNYKRVDHMJ-CVEARBPZSA-N 1 1 445.633 3.691 20 0 IHADMO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@H]3O2)n1 ZINC001164641019 719263088 /nfs/dbraw/zinc/26/30/88/719263088.db2.gz UNTZFNATIVTNDL-OFAXGOBFSA-N 1 1 437.588 3.825 20 0 IHADMO CCn1nnc2c1[C@@H](COC)CN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164662945 719361774 /nfs/dbraw/zinc/36/17/74/719361774.db2.gz GTLVOEGWIIMBMF-MRXNPFEDSA-N 1 1 443.621 3.512 20 0 IHADMO C[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164670175 719442832 /nfs/dbraw/zinc/44/28/32/719442832.db2.gz NRMHWYUMYSIPGM-WOJBJXKFSA-N 1 1 429.549 3.940 20 0 IHADMO C[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164670169 719444415 /nfs/dbraw/zinc/44/44/15/719444415.db2.gz NRMHWYUMYSIPGM-PMACEKPBSA-N 1 1 429.549 3.940 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2 ZINC001164681989 719710314 /nfs/dbraw/zinc/71/03/14/719710314.db2.gz AXMXFKPAWMCCAM-UHFFFAOYSA-N 1 1 449.933 3.523 20 0 IHADMO CC(C)N(C)C(=O)c1noc2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164696028 719785832 /nfs/dbraw/zinc/78/58/32/719785832.db2.gz RKPQYICXCDAECB-UHFFFAOYSA-N 1 1 445.567 3.671 20 0 IHADMO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164690858 719805988 /nfs/dbraw/zinc/80/59/88/719805988.db2.gz BELHDEHCBQXELJ-UHFFFAOYSA-N 1 1 435.981 3.707 20 0 IHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3cn(C)nc3[C@@H](COC)C2)n1 ZINC001164693519 719832902 /nfs/dbraw/zinc/83/29/02/719832902.db2.gz BUOXSZACGLPIQL-QGZVFWFLSA-N 1 1 428.606 3.634 20 0 IHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc2ccccc21 ZINC001164701984 719850489 /nfs/dbraw/zinc/85/04/89/719850489.db2.gz MJHVJEKSSGSKQF-FNZWTVRRSA-N 1 1 446.551 3.530 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cn1)CC2 ZINC001164711659 720099759 /nfs/dbraw/zinc/09/97/59/720099759.db2.gz SFLAOCOUKOBTHX-QGZVFWFLSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164718060 720110820 /nfs/dbraw/zinc/11/08/20/720110820.db2.gz RGHDLPLWXRZCAK-KRWDZBQOSA-N 1 1 446.020 3.681 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164718569 720117567 /nfs/dbraw/zinc/11/75/67/720117567.db2.gz SLQAGRJHVJVGRS-NQIIRXRSSA-N 1 1 434.943 3.765 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1SC)CC2 ZINC001164718541 720121852 /nfs/dbraw/zinc/12/18/52/720121852.db2.gz RXHPYKZSCKUNBK-QGZVFWFLSA-N 1 1 434.009 3.754 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3nc[nH]c3cc1Cl)CC2 ZINC001164714823 720124699 /nfs/dbraw/zinc/12/46/99/720124699.db2.gz CFESDCOZIJKUKR-KRWDZBQOSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3[nH]cnc3cc1Cl)CC2 ZINC001164714823 720124708 /nfs/dbraw/zinc/12/47/08/720124708.db2.gz CFESDCOZIJKUKR-KRWDZBQOSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3[nH]cnc3cc1Cl)CC2 ZINC001164714823 720124717 /nfs/dbraw/zinc/12/47/17/720124717.db2.gz CFESDCOZIJKUKR-KRWDZBQOSA-N 1 1 426.952 3.514 20 0 IHADMO CCOC(=O)c1cc2c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)[nH]c(C)c(C)c-2n1 ZINC001164808503 720133066 /nfs/dbraw/zinc/13/30/66/720133066.db2.gz FHUVEBXRYQITMH-KBMIEXCESA-N 1 1 440.588 3.541 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cncc(Cl)n1)CC2 ZINC001164710852 720133140 /nfs/dbraw/zinc/13/31/40/720133140.db2.gz DVLASSPCIIZAIH-KRWDZBQOSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164712367 720156246 /nfs/dbraw/zinc/15/62/46/720156246.db2.gz FZAXRWOIUWIEAQ-IBGZPJMESA-N 1 1 442.007 3.911 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1N1CCCCC1)C2 ZINC001164813068 720161306 /nfs/dbraw/zinc/16/13/06/720161306.db2.gz CMBOOPQNWBOWIW-RLWLMLJZSA-N 1 1 435.616 3.805 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001164817440 720163985 /nfs/dbraw/zinc/16/39/85/720163985.db2.gz PJEYXRKFRZFOOP-QFQXNSOFSA-N 1 1 429.568 3.877 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001164815601 720172994 /nfs/dbraw/zinc/17/29/94/720172994.db2.gz ILNQCPITAXCVRP-DVECYGJZSA-N 1 1 447.023 3.592 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001164818497 720174073 /nfs/dbraw/zinc/17/40/73/720174073.db2.gz SXFVUHAKTLKVMA-HYBUGGRVSA-N 1 1 447.023 3.546 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164816370 720189865 /nfs/dbraw/zinc/18/98/65/720189865.db2.gz LDGPTVXSGGBWLV-DVECYGJZSA-N 1 1 435.597 3.938 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3cccc(Cl)c31)CCC2 ZINC001164811979 720222442 /nfs/dbraw/zinc/22/24/42/720222442.db2.gz BQXDFSDJELXOJN-UHFFFAOYSA-N 1 1 447.370 3.744 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(C(F)F)nc3ccc(F)cc31)CCC2 ZINC001164817979 720243892 /nfs/dbraw/zinc/24/38/92/720243892.db2.gz VXWYIJJUIGMGFS-UHFFFAOYSA-N 1 1 446.477 3.514 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)ccc3c(Cl)ncnc31)CCC2 ZINC001164817963 720245888 /nfs/dbraw/zinc/24/58/88/720245888.db2.gz VKXPRTSAGJFKHM-UHFFFAOYSA-N 1 1 447.370 3.744 20 0 IHADMO Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)O2)n1 ZINC001164832050 720404031 /nfs/dbraw/zinc/40/40/31/720404031.db2.gz YJEKGJIKLDZTED-ZRBLBEILSA-N 1 1 431.540 3.830 20 0 IHADMO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164835345 720507009 /nfs/dbraw/zinc/50/70/09/720507009.db2.gz KEBUWHWIYNNZHZ-XGHQBKJUSA-N 1 1 440.979 3.866 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)CC[C@@H]21 ZINC001164840013 720510114 /nfs/dbraw/zinc/51/01/14/720510114.db2.gz VTMUZNKMJIRCMY-YCPHGPKFSA-N 1 1 445.345 3.903 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)Oc3ccc(Cl)nc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833301 720524725 /nfs/dbraw/zinc/52/47/25/720524725.db2.gz CZVFVLFBBWXSDK-SOLBZPMBSA-N 1 1 425.911 3.734 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c(F)cccc43)CC[C@@H]21 ZINC001164840804 720534707 /nfs/dbraw/zinc/53/47/07/720534707.db2.gz UAJHIWJPVNRGPK-BXWFABGCSA-N 1 1 428.943 3.997 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3F)CC[C@@H]21 ZINC001164835888 720541090 /nfs/dbraw/zinc/54/10/90/720541090.db2.gz IXRFFCWGALFQFP-VYDXJSESSA-N 1 1 427.902 3.993 20 0 IHADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C ZINC001164838560 720542539 /nfs/dbraw/zinc/54/25/39/720542539.db2.gz ONFCJPWYXDYPHN-QWFCFKBJSA-N 1 1 445.995 3.794 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)CC[C@@H]21 ZINC001164842546 720548625 /nfs/dbraw/zinc/54/86/25/720548625.db2.gz YCSWATPUQGIAKR-XWGVYQGASA-N 1 1 444.583 3.908 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(OCc4ccccc4)cnn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840161 720559602 /nfs/dbraw/zinc/55/96/02/720559602.db2.gz RWWAVFJTQVCPGN-WPFOTENUSA-N 1 1 432.572 3.630 20 0 IHADMO COc1cccc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)n2)c1 ZINC001164833600 720573089 /nfs/dbraw/zinc/57/30/89/720573089.db2.gz AOSLXOAGTGVEBL-PQNGQFLHSA-N 1 1 432.572 3.727 20 0 IHADMO CCCN(CCC)c1cncc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164841410 720575128 /nfs/dbraw/zinc/57/51/28/720575128.db2.gz VBGDEGDILKOAPW-BHDDXSALSA-N 1 1 425.625 3.677 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4c(n3)-c3ccccc3CC4)CC[C@@H]21 ZINC001164836843 720582710 /nfs/dbraw/zinc/58/27/10/720582710.db2.gz HBELHDOFBYRTOA-FIXSFTCYSA-N 1 1 428.584 3.817 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(F)cc4ncnc(Cl)c43)CC[C@@H]21 ZINC001164841196 720585785 /nfs/dbraw/zinc/58/57/85/720585785.db2.gz RRSWUSIZQMBIOX-AYBZRNKSSA-N 1 1 428.943 3.997 20 0 IHADMO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164841484 720613745 /nfs/dbraw/zinc/61/37/45/720613745.db2.gz SHHPQAFJQYHDDO-TXTKFYIRSA-N 1 1 433.556 3.596 20 0 IHADMO COc1cc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2cc1OC ZINC001164835326 720615023 /nfs/dbraw/zinc/61/50/23/720615023.db2.gz BDZQMVQOVYTMFS-BHDDXSALSA-N 1 1 435.572 3.826 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)CC[C@@H]21 ZINC001164844159 720620570 /nfs/dbraw/zinc/62/05/70/720620570.db2.gz ZLVFPOQOQFBGFC-SPEDKVCISA-N 1 1 438.526 3.996 20 0 IHADMO CC(C)c1noc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2)n1 ZINC001164835997 720624672 /nfs/dbraw/zinc/62/46/72/720624672.db2.gz DTPJMCHGQPWGJI-PWRODBHTSA-N 1 1 435.576 3.829 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nnc(Cl)c4ccc(F)cc43)CC[C@@H]21 ZINC001164844147 720627605 /nfs/dbraw/zinc/62/76/05/720627605.db2.gz ZBKBCMJWZSEHRC-SYNHAJSKSA-N 1 1 428.943 3.997 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccncc4)nc4c3CCC4)CC[C@@H]21 ZINC001164837800 720628398 /nfs/dbraw/zinc/62/83/98/720628398.db2.gz JPGISJXMLVKACJ-DPLHUUCSSA-N 1 1 443.599 3.602 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)Oc3ccnc(Cl)c3)CC[C@@H]21 ZINC001164840820 720638257 /nfs/dbraw/zinc/63/82/57/720638257.db2.gz QXULIAAUSZEICL-RYRKJORJSA-N 1 1 425.911 3.734 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(F)c(-c4ccsc4)n3)CC[C@@H]21 ZINC001164840801 720640138 /nfs/dbraw/zinc/64/01/38/720640138.db2.gz QUEMCZUFRGQPMV-BJLQDIEVSA-N 1 1 426.565 3.919 20 0 IHADMO COc1cc2ncc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2cc1OC ZINC001164840470 720687051 /nfs/dbraw/zinc/68/70/51/720687051.db2.gz FDQPPSIFOVYEQP-HXUWFJFHSA-N 1 1 448.567 3.907 20 0 IHADMO COCc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(SC)n1 ZINC001164840562 720688947 /nfs/dbraw/zinc/68/89/47/720688947.db2.gz GNNNSRGMPDKCIZ-HXUWFJFHSA-N 1 1 428.602 3.605 20 0 IHADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164839812 720690574 /nfs/dbraw/zinc/69/05/74/720690574.db2.gz BXJXIYMSPIWARV-HXUWFJFHSA-N 1 1 437.588 3.721 20 0 IHADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744040 720730228 /nfs/dbraw/zinc/73/02/28/720730228.db2.gz QWXXYHGEANUGCD-HZPDHXFCSA-N 1 1 431.874 3.565 20 0 IHADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744040 720730246 /nfs/dbraw/zinc/73/02/46/720730246.db2.gz QWXXYHGEANUGCD-HZPDHXFCSA-N 1 1 431.874 3.565 20 0 IHADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742132 720786804 /nfs/dbraw/zinc/78/68/04/720786804.db2.gz CHDWSBYTCVPJJL-IRXDYDNUSA-N 1 1 431.874 3.565 20 0 IHADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C ZINC001164749215 720787140 /nfs/dbraw/zinc/78/71/40/720787140.db2.gz SEKOERJYIPBKIM-QZTJIDSGSA-N 1 1 436.947 3.546 20 0 IHADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749711 720806542 /nfs/dbraw/zinc/80/65/42/720806542.db2.gz ULGBVURJAHSMCU-JKSUJKDBSA-N 1 1 449.933 3.681 20 0 IHADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749711 720806545 /nfs/dbraw/zinc/80/65/45/720806545.db2.gz ULGBVURJAHSMCU-JKSUJKDBSA-N 1 1 449.933 3.681 20 0 IHADMO Clc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccsc2n1 ZINC001164742685 720822762 /nfs/dbraw/zinc/82/27/62/720822762.db2.gz QMFOTJAKHKXXLO-XYJFISCASA-N 1 1 428.993 3.921 20 0 IHADMO Cc1sc2nc(C)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1C ZINC001164742049 720827288 /nfs/dbraw/zinc/82/72/88/720827288.db2.gz PCLNSXBXCZFZBW-XUVXKRRUSA-N 1 1 437.617 3.587 20 0 IHADMO COC[C@]12CCCO[C@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164849919 720827789 /nfs/dbraw/zinc/82/77/89/720827789.db2.gz RILWOEBRTZMWFF-FDDCHVKYSA-N 1 1 430.618 3.926 20 0 IHADMO Clc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(-c2ccccc2)nn1 ZINC001164737694 720828983 /nfs/dbraw/zinc/82/89/83/720828983.db2.gz CBRLPLPETBOGFI-NJDAHSKKSA-N 1 1 449.990 3.768 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164741826 720836867 /nfs/dbraw/zinc/83/68/67/720836867.db2.gz FPNDCYCICYVISK-SVFBPWRDSA-N 1 1 443.555 3.655 20 0 IHADMO Cc1nc(C2CCCCC2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743073 720843968 /nfs/dbraw/zinc/84/39/68/720843968.db2.gz ILXYKQZDBMDIKP-AOHZBQACSA-N 1 1 435.620 3.804 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4scc(-c5cccs5)c43)CC[C@@H]2C1 ZINC001164852557 720844586 /nfs/dbraw/zinc/84/45/86/720844586.db2.gz KUYSQAHUSXKOCD-WBVHZDCISA-N 1 1 430.599 3.593 20 0 IHADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751857 720856169 /nfs/dbraw/zinc/85/61/69/720856169.db2.gz RDQDORIUOVRHHA-HSALFYBXSA-N 1 1 444.027 3.608 20 0 IHADMO Fc1cc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1Cl ZINC001164750291 720856342 /nfs/dbraw/zinc/85/63/42/720856342.db2.gz PICLTINOISCLCK-JBYIUTFZSA-N 1 1 440.954 3.998 20 0 IHADMO Fc1ccc(Cl)c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164745969 720856875 /nfs/dbraw/zinc/85/68/75/720856875.db2.gz DZXFWZJTIPWMID-LLGFUMIMSA-N 1 1 440.954 3.998 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@@H]2C1 ZINC001164859933 720872639 /nfs/dbraw/zinc/87/26/39/720872639.db2.gz NFKQGEFHVBBVFC-RISCZKNCSA-N 1 1 444.737 3.760 20 0 IHADMO c1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cnc2c1 ZINC001164755305 720873380 /nfs/dbraw/zinc/87/33/80/720873380.db2.gz WJUPZKUZQTWVNZ-BKMJKUGQSA-N 1 1 429.568 3.780 20 0 IHADMO Fc1cccc2c1ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749902 720885428 /nfs/dbraw/zinc/88/54/28/720885428.db2.gz AWFKITNKFAOALG-HFZDXXHNSA-N 1 1 447.558 3.919 20 0 IHADMO CC(C)(C)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164755132 720910914 /nfs/dbraw/zinc/91/09/14/720910914.db2.gz YPAZOPGAKZKRSU-GJZUVCINSA-N 1 1 435.616 3.924 20 0 IHADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164862677 720962089 /nfs/dbraw/zinc/96/20/89/720962089.db2.gz WXPXXAOSRFMLOM-CQSZACIVSA-N 1 1 442.951 3.688 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)[C@@H]2C ZINC001164863445 720972219 /nfs/dbraw/zinc/97/22/19/720972219.db2.gz VMGJDUNKGGDKMI-OAHLLOKOSA-N 1 1 433.000 3.881 20 0 IHADMO 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c1ccc(-c2nsc3c2ncnc3N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164881158 721148767 /nfs/dbraw/zinc/14/87/67/721148767.db2.gz ZLALVLCBUQOESA-VQTJNVASSA-N 1 1 444.564 3.628 20 0 IHADMO c1ccc(-c2nsc3c2ncnc3N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164881160 721148859 /nfs/dbraw/zinc/14/88/59/721148859.db2.gz ZLALVLCBUQOESA-WOJBJXKFSA-N 1 1 444.564 3.628 20 0 IHADMO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868875 721196413 /nfs/dbraw/zinc/19/64/13/721196413.db2.gz ORWFFLOCVZWVPI-IRXDYDNUSA-N 1 1 434.918 3.643 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164767984 721239791 /nfs/dbraw/zinc/23/97/91/721239791.db2.gz XITAEJDYVSUWMV-IAGOWNOFSA-N 1 1 442.926 3.753 20 0 IHADMO C[NH+]1CCC(Oc2ccnc(N3CCc4ncnc(-c5ccc(F)cc5)c4CC3)c2)CC1 ZINC001164779383 721316110 /nfs/dbraw/zinc/31/61/10/721316110.db2.gz XKYUWQFPKPJJFT-UHFFFAOYSA-N 1 1 433.531 3.756 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164776185 721350644 /nfs/dbraw/zinc/35/06/44/721350644.db2.gz ALCSDFZURRCHTB-LEWJYISDSA-N 1 1 438.931 3.586 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164776185 721350649 /nfs/dbraw/zinc/35/06/49/721350649.db2.gz ALCSDFZURRCHTB-LEWJYISDSA-N 1 1 438.931 3.586 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C4CC4)n3)C2)C1 ZINC001164777683 721351708 /nfs/dbraw/zinc/35/17/08/721351708.db2.gz HNYNIPRJLCATLU-QFIPXVFZSA-N 1 1 431.968 3.731 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C4CC4)n3)C2)C1 ZINC001164777683 721351713 /nfs/dbraw/zinc/35/17/13/721351713.db2.gz HNYNIPRJLCATLU-QFIPXVFZSA-N 1 1 431.968 3.731 20 0 IHADMO COc1ccc2cnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc2c1 ZINC001164781653 721361012 /nfs/dbraw/zinc/36/10/12/721361012.db2.gz KIFBYWUKAGOSOK-VWLOTQADSA-N 1 1 436.556 3.967 20 0 IHADMO CSc1cnc(Cl)c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786061 721364251 /nfs/dbraw/zinc/36/42/51/721364251.db2.gz VLUUBXYCUGMMNE-FQEVSTJZSA-N 1 1 437.997 3.576 20 0 IHADMO CSc1cnc(Cl)c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786061 721364255 /nfs/dbraw/zinc/36/42/55/721364255.db2.gz VLUUBXYCUGMMNE-FQEVSTJZSA-N 1 1 437.997 3.576 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3C(C)C)C2)C1 ZINC001164782010 721373372 /nfs/dbraw/zinc/37/33/72/721373372.db2.gz LENCFQXFIYDQEC-QFIPXVFZSA-N 1 1 433.984 3.977 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3C(C)C)C2)C1 ZINC001164782010 721373375 /nfs/dbraw/zinc/37/33/75/721373375.db2.gz LENCFQXFIYDQEC-QFIPXVFZSA-N 1 1 433.984 3.977 20 0 IHADMO CCc1nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(Cl)nc1C ZINC001164784576 721375865 /nfs/dbraw/zinc/37/58/65/721375865.db2.gz QJGAYBQDTVCCNT-QFIPXVFZSA-N 1 1 433.984 3.725 20 0 IHADMO CCc1nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(Cl)nc1C ZINC001164784576 721375868 /nfs/dbraw/zinc/37/58/68/721375868.db2.gz QJGAYBQDTVCCNT-QFIPXVFZSA-N 1 1 433.984 3.725 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)C3)O2)CC1 ZINC001164892874 721395700 /nfs/dbraw/zinc/39/57/00/721395700.db2.gz UFCZJDYADMWXOK-URXFXBBRSA-N 1 1 442.007 3.562 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164893623 721397308 /nfs/dbraw/zinc/39/73/08/721397308.db2.gz WFCWJTJQXDVOMW-WZONZLPQSA-N 1 1 432.971 3.793 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5ccc(F)cc54)C3)O2)CC1 ZINC001164886104 721397344 /nfs/dbraw/zinc/39/73/44/721397344.db2.gz DLAXQVDFGASZJF-XXBNENTESA-N 1 1 432.971 3.793 20 0 IHADMO Cc1c(Cl)ccc2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc21 ZINC001164896201 721427869 /nfs/dbraw/zinc/42/78/69/721427869.db2.gz RBMBIURTDSKSSP-HYBUGGRVSA-N 1 1 429.008 3.962 20 0 IHADMO CCCCOc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(Cl)c1 ZINC001164893685 721429282 /nfs/dbraw/zinc/42/92/82/721429282.db2.gz JYFPFFLTLOQLJU-XXBNENTESA-N 1 1 437.028 3.679 20 0 IHADMO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164791087 721437553 /nfs/dbraw/zinc/43/75/53/721437553.db2.gz ZNYXFEGNKOZHQS-GASCZTMLSA-N 1 1 443.960 3.956 20 0 IHADMO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164791087 721437559 /nfs/dbraw/zinc/43/75/59/721437559.db2.gz ZNYXFEGNKOZHQS-GASCZTMLSA-N 1 1 443.960 3.956 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5cccc(Cl)c5)ncn4)C3)O2)CC1 ZINC001164891782 721438217 /nfs/dbraw/zinc/43/82/17/721438217.db2.gz HKUVMRHIHOCZCG-URXFXBBRSA-N 1 1 442.007 3.562 20 0 IHADMO Cc1ccc(C)c(-c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)c1 ZINC001164897996 721439032 /nfs/dbraw/zinc/43/90/32/721439032.db2.gz VIABOXNUOBDOJI-GJZUVCINSA-N 1 1 435.616 3.526 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(Cl)nc4-c4ccccc4)C3)O2)CC1 ZINC001164895429 721440628 /nfs/dbraw/zinc/44/06/28/721440628.db2.gz PADNOPHSWQWJFT-HYBUGGRVSA-N 1 1 442.007 3.562 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c(F)cccc45)C3)O2)CC1 ZINC001164884946 721450018 /nfs/dbraw/zinc/45/00/18/721450018.db2.gz CXIVXWQBRNCJDR-UZUQRXQVSA-N 1 1 432.971 3.793 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3)nn1)CC2 ZINC001164787857 721453214 /nfs/dbraw/zinc/45/32/14/721453214.db2.gz QYOOHEBDMLCMJD-HSZRJFAPSA-N 1 1 436.600 3.878 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164785562 721460038 /nfs/dbraw/zinc/46/00/38/721460038.db2.gz LWTVSFYSBCJDPH-WIYYLYMNSA-N 1 1 441.975 3.596 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3ncc(F)cc3n1)CC2 ZINC001164786628 721464612 /nfs/dbraw/zinc/46/46/12/721464612.db2.gz ORPNXOAUONFKCW-FQEVSTJZSA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3c4c([nH]c31)CCC4)CC2 ZINC001164790029 721471682 /nfs/dbraw/zinc/47/16/82/721471682.db2.gz QAVYVTBWOOKJAA-HXUWFJFHSA-N 1 1 438.616 3.786 20 0 IHADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900350 721512934 /nfs/dbraw/zinc/51/29/34/721512934.db2.gz QWAGGRNJGYSKHT-WMZOPIPTSA-N 1 1 433.911 3.701 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3[nH]cc(Cl)c32)[C@@H]2CCCO[C@@H]12 ZINC001164794278 721526579 /nfs/dbraw/zinc/52/65/79/721526579.db2.gz BDDDWGXSVXJFMB-BFYDXBDKSA-N 1 1 433.343 3.528 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3[nH]cc(Cl)c32)[C@@H]2CCCO[C@@H]12 ZINC001164794278 721526580 /nfs/dbraw/zinc/52/65/80/721526580.db2.gz BDDDWGXSVXJFMB-BFYDXBDKSA-N 1 1 433.343 3.528 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164801583 721533095 /nfs/dbraw/zinc/53/30/95/721533095.db2.gz FTTSWDBFWAARAR-CPUCHLNUSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164801583 721533100 /nfs/dbraw/zinc/53/31/00/721533100.db2.gz FTTSWDBFWAARAR-CPUCHLNUSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(F)c(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164811159 721534125 /nfs/dbraw/zinc/53/41/25/721534125.db2.gz YYNHGYDGJQFUBR-LZLYRXPVSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(F)c(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164811159 721534126 /nfs/dbraw/zinc/53/41/26/721534126.db2.gz YYNHGYDGJQFUBR-LZLYRXPVSA-N 1 1 426.870 3.682 20 0 IHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164911336 721539744 /nfs/dbraw/zinc/53/97/44/721539744.db2.gz WIBMMGZPTJMSRF-UYAOXDASSA-N 1 1 446.954 3.698 20 0 IHADMO Cc1nc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(Cl)c1C ZINC001164908094 721542352 /nfs/dbraw/zinc/54/23/52/721542352.db2.gz OQEZZRMYRPYBOE-RDJZCZTQSA-N 1 1 426.870 3.773 20 0 IHADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909266 721546159 /nfs/dbraw/zinc/54/61/59/721546159.db2.gz RCMIDUCICNYHMF-WBVHZDCISA-N 1 1 430.915 3.542 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(F)cccc32)[C@H]2CCCO[C@@H]12 ZINC001164807190 721549408 /nfs/dbraw/zinc/54/94/08/721549408.db2.gz PZVFAKQIERIUOQ-NLWGTHIKSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(F)cccc32)[C@H]2CCCO[C@@H]12 ZINC001164807190 721549413 /nfs/dbraw/zinc/54/94/13/721549413.db2.gz PZVFAKQIERIUOQ-NLWGTHIKSA-N 1 1 427.911 3.686 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[N@H+]3C2)c1 ZINC001164909641 721560751 /nfs/dbraw/zinc/56/07/51/721560751.db2.gz UMHGQWCYJUIWJW-CTNGQTDRSA-N 1 1 431.515 3.508 20 0 IHADMO Cc1nc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(Cl)c1C ZINC001164808807 721564009 /nfs/dbraw/zinc/56/40/09/721564009.db2.gz VRBJEODTINAYNL-OKZBNKHCSA-N 1 1 437.922 3.555 20 0 IHADMO Cc1nc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(Cl)c1C ZINC001164808807 721564010 /nfs/dbraw/zinc/56/40/10/721564010.db2.gz VRBJEODTINAYNL-OKZBNKHCSA-N 1 1 437.922 3.555 20 0 IHADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCC3 ZINC001164805743 721575856 /nfs/dbraw/zinc/57/58/56/721575856.db2.gz OQLMLGFETFUGBR-IPJJNNNSSA-N 1 1 435.597 3.752 20 0 IHADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCC3 ZINC001164805743 721575859 /nfs/dbraw/zinc/57/58/59/721575859.db2.gz OQLMLGFETFUGBR-IPJJNNNSSA-N 1 1 435.597 3.752 20 0 IHADMO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1N1CCCC1 ZINC001164905959 721582903 /nfs/dbraw/zinc/58/29/03/721582903.db2.gz YDNUZVDRAVPMCX-JOCHJYFZSA-N 1 1 428.531 3.518 20 0 IHADMO F[C@H](Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904944 721695894 /nfs/dbraw/zinc/69/58/94/721695894.db2.gz ICKSSZKHBKOEJT-OALUTQOASA-N 1 1 426.870 3.995 20 0 IHADMO FC1(F)CCN(c2nc(Cl)nc3cnccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904844 721696767 /nfs/dbraw/zinc/69/67/67/721696767.db2.gz GWXAZTKLRFJYKD-HXUWFJFHSA-N 1 1 430.890 3.811 20 0 IHADMO CC1CCN(c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164909803 721725984 /nfs/dbraw/zinc/72/59/84/721725984.db2.gz DSKNNCGFPSTVTE-HSZRJFAPSA-N 1 1 442.558 3.846 20 0 IHADMO COc1nc(Cl)ncc1C(F)(F)N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908997 721760319 /nfs/dbraw/zinc/76/03/19/721760319.db2.gz BPHMHWSDOHLOOF-UHFFFAOYSA-N 1 1 449.889 3.866 20 0 IHADMO COc1nc(Cl)ncc1C(F)(F)N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908997 721760323 /nfs/dbraw/zinc/76/03/23/721760323.db2.gz BPHMHWSDOHLOOF-UHFFFAOYSA-N 1 1 449.889 3.866 20 0 IHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](OCC3CC3)[C@@H]3COC[C@H]32)n1 ZINC001165014956 721763290 /nfs/dbraw/zinc/76/32/90/721763290.db2.gz KEWAQQXJVHSWFE-QRVBRYPASA-N 1 1 430.618 3.780 20 0 IHADMO O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001165015497 721769727 /nfs/dbraw/zinc/76/97/27/721769727.db2.gz LTIAUMFVMHLKQA-UPVQGACJSA-N 1 1 442.563 3.974 20 0 IHADMO CCOC(=O)c1cnc(SC)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026912 721800249 /nfs/dbraw/zinc/80/02/49/721800249.db2.gz SIJDEKKHWDCRCV-DBVUQKKJSA-N 1 1 441.601 3.507 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)N3CCCCC3)C[C@@H]21 ZINC001165026605 721801914 /nfs/dbraw/zinc/80/19/14/721801914.db2.gz RKOXILBUFVGOHA-NKKJXINNSA-N 1 1 433.600 3.840 20 0 IHADMO CCOC(=O)c1cc2cccnc2nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024257 721811613 /nfs/dbraw/zinc/81/16/13/721811613.db2.gz KDDCSOWOZAMWFT-PMOQBDJRSA-N 1 1 445.567 3.938 20 0 IHADMO CCOC(=O)c1cnc(C2CC2)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024147 721811931 /nfs/dbraw/zinc/81/19/31/721811931.db2.gz JDMNAQJHGKBJTN-NYVOZVTQSA-N 1 1 435.572 3.663 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@H]21 ZINC001165022361 721824292 /nfs/dbraw/zinc/82/42/92/721824292.db2.gz HABJEYDOTDAXJD-FVQBIDKESA-N 1 1 447.921 3.635 20 0 IHADMO COc1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(Cl)n1 ZINC001165029695 721831728 /nfs/dbraw/zinc/83/17/28/721831728.db2.gz XMRZVHKHMRNPNC-UAGQMJEPSA-N 1 1 437.922 3.815 20 0 IHADMO COc1cccc(OC)c1CN1CCC(N(C)c2nc(N3CCCC3)cc(C)[nH+]2)CC1 ZINC001165016238 721837818 /nfs/dbraw/zinc/83/78/18/721837818.db2.gz AJSJQIHQIAJXQU-UHFFFAOYSA-N 1 1 425.577 3.503 20 0 IHADMO CN1C(=O)CC[C@H]2[C@@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164936725 721893270 /nfs/dbraw/zinc/89/32/70/721893270.db2.gz ZUWYTVCAEINAJD-ROUUACIJSA-N 1 1 439.629 3.756 20 0 IHADMO COCc1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc(SC)n1 ZINC001164939885 721926160 /nfs/dbraw/zinc/92/61/60/721926160.db2.gz OXYVJQKBGYICHS-UHFFFAOYSA-N 1 1 428.602 3.525 20 0 IHADMO CCOC(=O)c1cc2ccc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)[nH]c-2n1 ZINC001164939692 721929133 /nfs/dbraw/zinc/92/91/33/721929133.db2.gz OTPKULUQHIUNAI-UHFFFAOYSA-N 1 1 448.567 3.919 20 0 IHADMO CCOC(=O)c1cc2ccc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nc2[nH]1 ZINC001164939692 721929137 /nfs/dbraw/zinc/92/91/37/721929137.db2.gz OTPKULUQHIUNAI-UHFFFAOYSA-N 1 1 448.567 3.919 20 0 IHADMO CCOC(=O)c1cc2ccc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nc2[nH]1 ZINC001164939692 721929143 /nfs/dbraw/zinc/92/91/43/721929143.db2.gz OTPKULUQHIUNAI-UHFFFAOYSA-N 1 1 448.567 3.919 20 0 IHADMO C=Cc1nc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1OC ZINC001164938638 721930316 /nfs/dbraw/zinc/93/03/16/721930316.db2.gz CCFXKFFZYKIGJM-UHFFFAOYSA-N 1 1 428.964 3.961 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc(-c5cccc(F)c5)n4)CC3)C2)cc1 ZINC001164938713 721931855 /nfs/dbraw/zinc/93/18/55/721931855.db2.gz FJZSSGKFDBUQHW-UHFFFAOYSA-N 1 1 433.531 3.858 20 0 IHADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@@H]21 ZINC001164950963 721958430 /nfs/dbraw/zinc/95/84/30/721958430.db2.gz YNRWHEHQKPPKBG-GOTSBHOMSA-N 1 1 433.556 3.529 20 0 IHADMO CC(C)c1cc2c(ncnc2N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)s1 ZINC001164942853 721968854 /nfs/dbraw/zinc/96/88/54/721968854.db2.gz DGKWIOUDVLBTGO-UHFFFAOYSA-N 1 1 435.597 3.786 20 0 IHADMO CC(C)c1cc2c(ncnc2N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)s1 ZINC001164942853 721968857 /nfs/dbraw/zinc/96/88/57/721968857.db2.gz DGKWIOUDVLBTGO-UHFFFAOYSA-N 1 1 435.597 3.786 20 0 IHADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955425 722019952 /nfs/dbraw/zinc/01/99/52/722019952.db2.gz GHIRNNSYYWNQIC-UHFFFAOYSA-N 1 1 425.968 3.948 20 0 IHADMO c1cncc(C[N@H+]2CCC3(C2)CCN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)CC3)c1 ZINC001164955622 722022402 /nfs/dbraw/zinc/02/24/02/722022402.db2.gz KOHDVTSIGSSHJK-UHFFFAOYSA-N 1 1 443.551 3.802 20 0 IHADMO Cc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(NC(=O)c2ccccc2)n1 ZINC001164961421 722024239 /nfs/dbraw/zinc/02/42/39/722024239.db2.gz NYUBMVDAKRSIFY-UHFFFAOYSA-N 1 1 442.567 3.925 20 0 IHADMO O=C(c1ccco1)N1CC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164956647 722046860 /nfs/dbraw/zinc/04/68/60/722046860.db2.gz CDGCDKDXMIPWQW-JTHBVZDNSA-N 1 1 428.536 3.584 20 0 IHADMO Fc1cccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164963137 722054746 /nfs/dbraw/zinc/05/47/46/722054746.db2.gz HOOUQHFGJRKJJC-UHFFFAOYSA-N 1 1 441.938 3.936 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCc3onc(COc4ccccn4)c3C2)n1 ZINC001164969429 722083013 /nfs/dbraw/zinc/08/30/13/722083013.db2.gz OCRCERBJOPQDGF-UHFFFAOYSA-N 1 1 425.920 3.856 20 0 IHADMO Fc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980721 722102009 /nfs/dbraw/zinc/10/20/09/722102009.db2.gz JYXBNKNZRYQTQY-WBVHZDCISA-N 1 1 426.870 3.541 20 0 IHADMO Fc1cccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979087 722112246 /nfs/dbraw/zinc/11/22/46/722112246.db2.gz OVEZCMFCTBVJKU-VQIMIIECSA-N 1 1 427.911 3.545 20 0 IHADMO Fc1cccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979077 722112324 /nfs/dbraw/zinc/11/23/24/722112324.db2.gz OVEZCMFCTBVJKU-APWZRJJASA-N 1 1 427.911 3.545 20 0 IHADMO CSc1nc2ccsc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975095 722112998 /nfs/dbraw/zinc/11/29/98/722112998.db2.gz JKEXGPQUHTVFFX-WMZOPIPTSA-N 1 1 427.599 3.536 20 0 IHADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974386 722135215 /nfs/dbraw/zinc/13/52/15/722135215.db2.gz DMCZWNMMXHZSSR-ROUUACIJSA-N 1 1 447.917 3.884 20 0 IHADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979671 722137538 /nfs/dbraw/zinc/13/75/38/722137538.db2.gz LSDGEKKSBKTKQH-TZIWHRDSSA-N 1 1 439.560 3.551 20 0 IHADMO CCN(c1ccccc1)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164973171 722149569 /nfs/dbraw/zinc/14/95/69/722149569.db2.gz BIZWWDOPEXKWFK-ISKFKSNPSA-N 1 1 444.583 3.757 20 0 IHADMO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975296 722158740 /nfs/dbraw/zinc/15/87/40/722158740.db2.gz RPQGSBXPHICOFZ-LAUBAEHRSA-N 1 1 448.945 3.891 20 0 IHADMO CN(C)c1nc(-c2ccccc2)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994441 722202958 /nfs/dbraw/zinc/20/29/58/722202958.db2.gz HCCWHOCENIMTEA-RUZDIDTESA-N 1 1 432.547 3.989 20 0 IHADMO OC[C@@]1([NH2+]Cc2nc(Cc3ccc(F)cc3)no2)CCc2cc(Br)ccc2C1 ZINC001307928934 1126162084 /nfs/dbraw/zinc/16/20/84/1126162084.db2.gz ORJBCYWXHYZFEI-OAQYLSRUSA-N 1 1 446.320 3.572 20 0 IHADMO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(-c3ccc(Br)s3)no2)cc1 ZINC001473838714 1126199278 /nfs/dbraw/zinc/19/92/78/1126199278.db2.gz KFWDZGWGYFMFMH-GOSISDBHSA-N 1 1 438.347 3.653 20 0 IHADMO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ncc(Br)cc1Br ZINC001560548199 1126212042 /nfs/dbraw/zinc/21/20/42/1126212042.db2.gz FZZCTPHTFJWSOH-MRXNPFEDSA-N 1 1 432.131 3.829 20 0 IHADMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000038845964 563098540 /nfs/dbraw/zinc/09/85/40/563098540.db2.gz ACVRIGSOUNTLCT-GFCCVEGCSA-N 1 1 428.373 3.783 20 0 IHADMO c1ccc(C[N@H+]2C[C@@H]3CCCN(c4nc5ccccc5nc4N4CCOCC4)[C@@H]3C2)cc1 ZINC001164625956 719076498 /nfs/dbraw/zinc/07/64/98/719076498.db2.gz NTKQIWQBXJGHGM-XUZZJYLKSA-N 1 1 429.568 3.567 20 0 IHADMO CC(C)C[NH+]1CCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCc2ccccc2)CC1 ZINC001164651300 719329548 /nfs/dbraw/zinc/32/95/48/719329548.db2.gz FIBIUQONOHGGQC-UHFFFAOYSA-N 1 1 438.906 3.810 20 0 IHADMO C[N@H+]1CCO[C@H]2CN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)C[C@@H]21 ZINC001164675068 719437172 /nfs/dbraw/zinc/43/71/72/719437172.db2.gz YLCWVFPHUKVAHW-VXKWHMMOSA-N 1 1 429.499 3.746 20 0 IHADMO C[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164675154 719440703 /nfs/dbraw/zinc/44/07/03/719440703.db2.gz ZHBDJTGACHNTBO-LEWJYISDSA-N 1 1 449.624 3.863 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164690264 719748876 /nfs/dbraw/zinc/74/88/76/719748876.db2.gz XKZILHMLAZNIEL-UHFFFAOYSA-N 1 1 449.933 3.523 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C)c(Cc3ccc(Cl)cc3)c(C)n1)CC2 ZINC001164689357 719752559 /nfs/dbraw/zinc/75/25/59/719752559.db2.gz CMIVHHIOQJTHMP-UHFFFAOYSA-N 1 1 442.007 3.518 20 0 IHADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(NC(=O)C(C)(C)C)nn2)CC3)cs1 ZINC001164694356 719808444 /nfs/dbraw/zinc/80/84/44/719808444.db2.gz WBHRQVQPMZVHDT-UHFFFAOYSA-N 1 1 428.606 3.861 20 0 IHADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)COc2ccc(Cl)nn2)CC3)cs1 ZINC001164694016 719813235 /nfs/dbraw/zinc/81/32/35/719813235.db2.gz ZRCYSKLSCBGLAF-UHFFFAOYSA-N 1 1 443.951 3.997 20 0 IHADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)COc2ccc(Cl)nn2)CC3)cs1 ZINC001164694016 719813237 /nfs/dbraw/zinc/81/32/37/719813237.db2.gz ZRCYSKLSCBGLAF-UHFFFAOYSA-N 1 1 443.951 3.997 20 0 IHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)ccc2ccc(Cl)nc21 ZINC001164703011 719877183 /nfs/dbraw/zinc/87/71/83/719877183.db2.gz JQJWNMCOQXEIIA-QVKFZJNVSA-N 1 1 438.355 3.774 20 0 IHADMO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)s1 ZINC001164697697 719893694 /nfs/dbraw/zinc/89/36/94/719893694.db2.gz NSVCWMZXBDISOX-UHFFFAOYSA-N 1 1 436.006 3.981 20 0 IHADMO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)s1 ZINC001164697697 719893695 /nfs/dbraw/zinc/89/36/95/719893695.db2.gz NSVCWMZXBDISOX-UHFFFAOYSA-N 1 1 436.006 3.981 20 0 IHADMO c1csc(C[N@H+]2CCOC3(CCN(c4nc(-c5cccnc5)nc5c4CCC5)CC3)C2)c1 ZINC001164707368 719899977 /nfs/dbraw/zinc/89/99/77/719899977.db2.gz QVEQVBTXTBBNCN-UHFFFAOYSA-N 1 1 447.608 3.960 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)c(NCC3CC3)n1)CC2 ZINC001164709759 720093256 /nfs/dbraw/zinc/09/32/56/720093256.db2.gz CZHRMKUUEKMMLR-QFIPXVFZSA-N 1 1 436.604 3.509 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(OC(C)(C)C)n1)CC2 ZINC001164716386 720120604 /nfs/dbraw/zinc/12/06/04/720120604.db2.gz KRECDZDAIIYQKK-FQEVSTJZSA-N 1 1 425.577 3.556 20 0 IHADMO CCOCc1cnc(Cl)nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164713616 720134391 /nfs/dbraw/zinc/13/43/91/720134391.db2.gz SZIBIBZOYXHRHA-HXUWFJFHSA-N 1 1 445.995 3.569 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)cnc1Cl)CC2 ZINC001164714378 720137649 /nfs/dbraw/zinc/13/76/49/720137649.db2.gz WQOVOSHJYIMRCI-KRWDZBQOSA-N 1 1 434.009 3.754 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cccc(OC)c31)CC2 ZINC001164710481 720142207 /nfs/dbraw/zinc/14/22/07/720142207.db2.gz BVCJBNDLWKZSHS-HXUWFJFHSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccncc3)nc(C)n1)CC2 ZINC001164710523 720146199 /nfs/dbraw/zinc/14/61/99/720146199.db2.gz CBOGMWSGTUNRNY-HSZRJFAPSA-N 1 1 444.583 3.750 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc(-c3cccc(F)c3)n1)CC2 ZINC001164710783 720147684 /nfs/dbraw/zinc/14/76/84/720147684.db2.gz CMHKSJHINGUIFR-QFIPXVFZSA-N 1 1 448.546 3.580 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)cc1Cl)CCC2 ZINC001164815279 720212958 /nfs/dbraw/zinc/21/29/58/720212958.db2.gz YGWNXFTZGODAOP-UHFFFAOYSA-N 1 1 446.329 3.741 20 0 IHADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2n1 ZINC001164725224 720355735 /nfs/dbraw/zinc/35/57/35/720355735.db2.gz MSHGLBFQCUYKJQ-NEPJUHHUSA-N 1 1 436.734 3.628 20 0 IHADMO Clc1nc2c(c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)C2 ZINC001164726667 720359265 /nfs/dbraw/zinc/35/92/65/720359265.db2.gz QYANJMKWOPGJIC-XZOQPEGZSA-N 1 1 446.986 3.894 20 0 IHADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164723923 720405497 /nfs/dbraw/zinc/40/54/97/720405497.db2.gz ICUMPZXOJJAECS-MSOLQXFVSA-N 1 1 426.883 3.705 20 0 IHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164732108 720425544 /nfs/dbraw/zinc/42/55/44/720425544.db2.gz MYTLZSXXJIALQD-MSOLQXFVSA-N 1 1 436.890 3.705 20 0 IHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164732108 720425550 /nfs/dbraw/zinc/42/55/50/720425550.db2.gz MYTLZSXXJIALQD-MSOLQXFVSA-N 1 1 436.890 3.705 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735384 720431250 /nfs/dbraw/zinc/43/12/50/720431250.db2.gz WTVPQEBMTSKAJE-ZWKOTPCHSA-N 1 1 442.901 3.985 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735384 720431255 /nfs/dbraw/zinc/43/12/55/720431255.db2.gz WTVPQEBMTSKAJE-ZWKOTPCHSA-N 1 1 442.901 3.985 20 0 IHADMO O=C(c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)c1)N1CCCCC1 ZINC001164733383 720449027 /nfs/dbraw/zinc/44/90/27/720449027.db2.gz PIRHNLSQIVBZNX-RTWAWAEBSA-N 1 1 425.964 3.609 20 0 IHADMO O=C(c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)c1)N1CCCCC1 ZINC001164733383 720449028 /nfs/dbraw/zinc/44/90/28/720449028.db2.gz PIRHNLSQIVBZNX-RTWAWAEBSA-N 1 1 425.964 3.609 20 0 IHADMO c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164727017 720455847 /nfs/dbraw/zinc/45/58/47/720455847.db2.gz CTVYDPWSOMAHIL-FGZHOGPDSA-N 1 1 429.524 3.553 20 0 IHADMO COCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccccc2)n1 ZINC001164833341 720512870 /nfs/dbraw/zinc/51/28/70/720512870.db2.gz DFMPRHNZWHJRFR-OEMFJLHTSA-N 1 1 446.599 3.864 20 0 IHADMO 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CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c(Cl)nccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836691 720596441 /nfs/dbraw/zinc/59/64/41/720596441.db2.gz GOMWQEGUBBRSPO-HLLBOEOZSA-N 1 1 446.386 3.906 20 0 IHADMO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164841482 720614760 /nfs/dbraw/zinc/61/47/60/720614760.db2.gz SHHPQAFJQYHDDO-MIZPHKNDSA-N 1 1 433.556 3.596 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc4nc(Cl)cnc4cc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841248 720617435 /nfs/dbraw/zinc/61/74/35/720617435.db2.gz RTXJDAMEKRSCBX-TWOQFEAHSA-N 1 1 428.943 3.997 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4cccnc4)nc4c3CCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836825 720628285 /nfs/dbraw/zinc/62/82/85/720628285.db2.gz GZGMSSVLXXVFLB-AWRGLXIESA-N 1 1 443.599 3.602 20 0 IHADMO CCCSc1ncnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1OC ZINC001164837514 720644661 /nfs/dbraw/zinc/64/46/61/720644661.db2.gz BYLSJXWAYMQNBG-GBESFXJTSA-N 1 1 430.622 3.562 20 0 IHADMO 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IHADMO COC(=O)c1c(Cl)cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1OC ZINC001164796681 721498455 /nfs/dbraw/zinc/49/84/55/721498455.db2.gz VFEXOTUXCVXBGZ-UHFFFAOYSA-N 1 1 444.963 3.806 20 0 IHADMO COc1ccc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1 ZINC001164794754 721524877 /nfs/dbraw/zinc/52/48/77/721524877.db2.gz HLBNTMSLQIROLB-ACRUOGEOSA-N 1 1 439.947 3.555 20 0 IHADMO COc1ccc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1 ZINC001164794754 721524879 /nfs/dbraw/zinc/52/48/79/721524879.db2.gz HLBNTMSLQIROLB-ACRUOGEOSA-N 1 1 439.947 3.555 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccnc4C4SCCCS4)CC[N@H+]3C2)c1 ZINC001164901040 721525571 /nfs/dbraw/zinc/52/55/71/721525571.db2.gz WDQNNLYGJRGUND-SJLPKXTDSA-N 1 1 432.590 3.826 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)CC[N@H+]3C2)c1 ZINC001164897196 721526484 /nfs/dbraw/zinc/52/64/84/721526484.db2.gz FIWCRIZQKCXONP-IEBWSBKVSA-N 1 1 425.895 3.673 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2F)[C@@H]2CCCO[C@H]12 ZINC001164806600 721529067 /nfs/dbraw/zinc/52/90/67/721529067.db2.gz OXXYASNTDYRWNB-NUJGCVRESA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2F)[C@@H]2CCCO[C@H]12 ZINC001164806600 721529070 /nfs/dbraw/zinc/52/90/70/721529070.db2.gz OXXYASNTDYRWNB-NUJGCVRESA-N 1 1 426.870 3.682 20 0 IHADMO COc1cccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903442 721533161 /nfs/dbraw/zinc/53/31/61/721533161.db2.gz COVWBVKZHWUEOF-NVXWUHKLSA-N 1 1 428.895 3.773 20 0 IHADMO COc1cccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164908326 721538091 /nfs/dbraw/zinc/53/80/91/721538091.db2.gz PTKNJVMBTOMTJW-NVXWUHKLSA-N 1 1 428.895 3.773 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(F)c32)[C@H]2CCCO[C@H]12 ZINC001164807779 721544963 /nfs/dbraw/zinc/54/49/63/721544963.db2.gz RGBKKEIPFMCZPT-NSHGMRRFSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(F)c32)[C@H]2CCCO[C@H]12 ZINC001164807779 721544965 /nfs/dbraw/zinc/54/49/65/721544965.db2.gz RGBKKEIPFMCZPT-NSHGMRRFSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)[C@@H]2CCCO[C@H]12 ZINC001164805132 721551528 /nfs/dbraw/zinc/55/15/28/721551528.db2.gz KZGRNTSWQRZSAJ-NUJGCVRESA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)[C@@H]2CCCO[C@H]12 ZINC001164805132 721551535 /nfs/dbraw/zinc/55/15/35/721551535.db2.gz KZGRNTSWQRZSAJ-NUJGCVRESA-N 1 1 426.870 3.682 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164810726 721551750 /nfs/dbraw/zinc/55/17/50/721551750.db2.gz YLXRNHRWDNIFFJ-JENIJYKNSA-N 1 1 438.906 3.552 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164810726 721551754 /nfs/dbraw/zinc/55/17/54/721551754.db2.gz YLXRNHRWDNIFFJ-JENIJYKNSA-N 1 1 438.906 3.552 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)cc3ncnc(Cl)c32)[C@H]2CCCO[C@@H]12 ZINC001164801053 721572214 /nfs/dbraw/zinc/57/22/14/721572214.db2.gz GHPBEZPBIMPCIC-FBBABVLZSA-N 1 1 427.911 3.686 20 0 IHADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]42)n1)CCC3 ZINC001164805739 721575818 /nfs/dbraw/zinc/57/58/18/721575818.db2.gz OQLMLGFETFUGBR-CNNODRBYSA-N 1 1 435.597 3.752 20 0 IHADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]42)n1)CCC3 ZINC001164805739 721575820 /nfs/dbraw/zinc/57/58/20/721575820.db2.gz OQLMLGFETFUGBR-CNNODRBYSA-N 1 1 435.597 3.752 20 0 IHADMO CCOC(=O)/C=C/c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906615 721585256 /nfs/dbraw/zinc/58/52/56/721585256.db2.gz NQKDCKGLKBTEJS-YVSHKSEASA-N 1 1 442.510 3.791 20 0 IHADMO Cc1cc(-c2ccccc2F)nnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164811249 721588619 /nfs/dbraw/zinc/58/86/19/721588619.db2.gz WXKUPIUOELMNAI-KMDXXIMOSA-N 1 1 433.531 3.854 20 0 IHADMO Cc1cc(-c2ccccc2F)nnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164811249 721588621 /nfs/dbraw/zinc/58/86/21/721588621.db2.gz WXKUPIUOELMNAI-KMDXXIMOSA-N 1 1 433.531 3.854 20 0 IHADMO F[C@H](Oc1cccc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906851 721703677 /nfs/dbraw/zinc/70/36/77/721703677.db2.gz ORVSRYYLRSZQFV-RBUKOAKNSA-N 1 1 426.870 3.995 20 0 IHADMO COC(=O)/C=C\c1cc(C)cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904359 721719289 /nfs/dbraw/zinc/71/92/89/721719289.db2.gz CGNDNICNAYLQRP-FUMRIQNTSA-N 1 1 442.510 3.709 20 0 IHADMO C[C@H]1CCCN(c2cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncn2)C1 ZINC001164913078 721732085 /nfs/dbraw/zinc/73/20/85/721732085.db2.gz SFSRCMSPARMSFT-WMZHIEFXSA-N 1 1 442.558 3.846 20 0 IHADMO [O-][n+]1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1Cl ZINC001164912625 721738613 /nfs/dbraw/zinc/73/86/13/721738613.db2.gz OYOSLRFWYMTJFH-GOSISDBHSA-N 1 1 444.860 3.651 20 0 IHADMO 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721765816 /nfs/dbraw/zinc/76/58/16/721765816.db2.gz FIVBCVFPWYLOMC-UHFFFAOYSA-N 1 1 449.889 3.866 20 0 IHADMO COc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165027168 721805106 /nfs/dbraw/zinc/80/51/06/721805106.db2.gz TZYWMHONVANZDV-WEYGHZABSA-N 1 1 433.556 3.779 20 0 IHADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@@]5(C[C@H](Oc6cccnc6)CO5)C4)ccc3C2)cc1 ZINC001164915036 721805673 /nfs/dbraw/zinc/80/56/73/721805673.db2.gz HGCNZMGQMXYWAA-RPLLCQBOSA-N 1 1 442.563 3.852 20 0 IHADMO Cc1cnc2n1CCN(C)C21CCN(c2[nH+]cnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001164916859 721816105 /nfs/dbraw/zinc/81/61/05/721816105.db2.gz JLXDKPBMXORKIK-UHFFFAOYSA-N 1 1 445.546 3.565 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@H]21 ZINC001165019094 721824173 /nfs/dbraw/zinc/82/41/73/721824173.db2.gz AVYRMKNCIKWDPC-FVQBIDKESA-N 1 1 447.921 3.635 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@@H]21 ZINC001165022365 721824383 /nfs/dbraw/zinc/82/43/83/721824383.db2.gz HABJEYDOTDAXJD-VNQPRFMTSA-N 1 1 447.921 3.635 20 0 IHADMO COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165019904 721831341 /nfs/dbraw/zinc/83/13/41/721831341.db2.gz CKPGAFDPBXUMNQ-QILLFSRXSA-N 1 1 437.922 3.815 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nccc(Cl)n2)CC1 ZINC001165022222 721838698 /nfs/dbraw/zinc/83/86/98/721838698.db2.gz QKJQOIMWMHYNTD-UHFFFAOYSA-N 1 1 426.895 3.793 20 0 IHADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164923128 721866709 /nfs/dbraw/zinc/86/67/09/721866709.db2.gz IHQHRBNCFNBAHP-GJZGRUSLSA-N 1 1 430.330 3.696 20 0 IHADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164923128 721866710 /nfs/dbraw/zinc/86/67/10/721866710.db2.gz IHQHRBNCFNBAHP-GJZGRUSLSA-N 1 1 430.330 3.696 20 0 IHADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164934580 721884452 /nfs/dbraw/zinc/88/44/52/721884452.db2.gz SEFHKMZBIHHTOG-WOJBJXKFSA-N 1 1 437.613 3.719 20 0 IHADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164934580 721884454 /nfs/dbraw/zinc/88/44/54/721884454.db2.gz SEFHKMZBIHHTOG-WOJBJXKFSA-N 1 1 437.613 3.719 20 0 IHADMO CN1C(=O)CC[C@@H]2[C@@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164936726 721893335 /nfs/dbraw/zinc/89/33/35/721893335.db2.gz ZUWYTVCAEINAJD-ZWKOTPCHSA-N 1 1 439.629 3.756 20 0 IHADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@H]21 ZINC001164950964 721958370 /nfs/dbraw/zinc/95/83/70/721958370.db2.gz YNRWHEHQKPPKBG-PKTZIBPZSA-N 1 1 433.556 3.529 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)nc1 ZINC001164948294 721962063 /nfs/dbraw/zinc/96/20/63/721962063.db2.gz SVMCNSRSKQFDFE-SGNDLWITSA-N 1 1 439.604 3.713 20 0 IHADMO Cc1sc2nc(C)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2c1C ZINC001164945109 721973821 /nfs/dbraw/zinc/97/38/21/721973821.db2.gz OZDWCPLKHPVFQF-UHFFFAOYSA-N 1 1 435.597 3.588 20 0 IHADMO Cc1sc2nc(C)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2c1C ZINC001164945109 721973823 /nfs/dbraw/zinc/97/38/23/721973823.db2.gz OZDWCPLKHPVFQF-UHFFFAOYSA-N 1 1 435.597 3.588 20 0 IHADMO Cc1ccc2c(n1)N(Cc1cccnc1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164950585 722006552 /nfs/dbraw/zinc/00/65/52/722006552.db2.gz DFENUEPFRZVNLN-UHFFFAOYSA-N 1 1 444.583 3.680 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3Oc2ncccc2F)nc1 ZINC001164960982 722030101 /nfs/dbraw/zinc/03/01/01/722030101.db2.gz VHHYRKJTRIYUGC-JFYQVNSESA-N 1 1 426.536 3.978 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4[C@@H](C3)[C@@H]4NC(=O)C(C)C)c2c1C ZINC001164960203 722039639 /nfs/dbraw/zinc/03/96/39/722039639.db2.gz JRYCEJVPPCUKKA-YRWFTTLQSA-N 1 1 427.618 3.501 20 0 IHADMO Fc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1Cl ZINC001164961187 722053467 /nfs/dbraw/zinc/05/34/67/722053467.db2.gz UUBGPBLODTXSCH-UHFFFAOYSA-N 1 1 440.897 3.933 20 0 IHADMO COc1cc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2cc1OC ZINC001164963853 722056940 /nfs/dbraw/zinc/05/69/40/722056940.db2.gz ODYBZIOWDZEEER-UHFFFAOYSA-N 1 1 448.567 3.766 20 0 IHADMO COc1cc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2cc1OC ZINC001164963853 722056941 /nfs/dbraw/zinc/05/69/41/722056941.db2.gz ODYBZIOWDZEEER-UHFFFAOYSA-N 1 1 448.567 3.766 20 0 IHADMO Fc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164962308 722060351 /nfs/dbraw/zinc/06/03/51/722060351.db2.gz QPVQVXHKYZZMDF-UHFFFAOYSA-N 1 1 433.531 3.797 20 0 IHADMO Fc1ccccc1-c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nn1 ZINC001164961511 722060730 /nfs/dbraw/zinc/06/07/30/722060730.db2.gz LCFMGGCJLJARAX-UHFFFAOYSA-N 1 1 433.531 3.797 20 0 IHADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965790 722069351 /nfs/dbraw/zinc/06/93/51/722069351.db2.gz NDZJWAFPAKEIGH-OKILXGFUSA-N 1 1 429.298 3.781 20 0 IHADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965790 722069353 /nfs/dbraw/zinc/06/93/53/722069353.db2.gz NDZJWAFPAKEIGH-OKILXGFUSA-N 1 1 429.298 3.781 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)nc1 ZINC001164974176 722090809 /nfs/dbraw/zinc/09/08/09/722090809.db2.gz NKPMCRMDUOPVED-KSEOMHKRSA-N 1 1 440.613 3.628 20 0 IHADMO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164975490 722097692 /nfs/dbraw/zinc/09/76/92/722097692.db2.gz BZPZSMFRLFOPOI-KCZVDYSFSA-N 1 1 439.991 3.877 20 0 IHADMO CSc1nc2sccc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164986239 722103493 /nfs/dbraw/zinc/10/34/93/722103493.db2.gz YNVOYPNEVHIZJZ-AEFFLSMTSA-N 1 1 427.599 3.536 20 0 IHADMO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974085 722115341 /nfs/dbraw/zinc/11/53/41/722115341.db2.gz ILADKVDEGPLJTI-WBVHZDCISA-N 1 1 426.870 3.541 20 0 IHADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979669 722137809 /nfs/dbraw/zinc/13/78/09/722137809.db2.gz LSDGEKKSBKTKQH-PZJWPPBQSA-N 1 1 439.560 3.551 20 0 IHADMO Cc1nc2sc3c(c2c(N2CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C2)n1)CCC3 ZINC001164983810 722138642 /nfs/dbraw/zinc/13/86/42/722138642.db2.gz VFBVSARZKJGMSB-UYAOXDASSA-N 1 1 435.597 3.611 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977008 722140154 /nfs/dbraw/zinc/14/01/54/722140154.db2.gz HNLZJEPFTVWVPC-MOPGFXCFSA-N 1 1 429.996 3.858 20 0 IHADMO Fc1ccc(Oc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164984205 722146340 /nfs/dbraw/zinc/14/63/40/722146340.db2.gz WJPACMMWSPHWGY-SIKLNZKXSA-N 1 1 435.503 3.530 20 0 IHADMO Fc1ccc(COc2cccnc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164983798 722146948 /nfs/dbraw/zinc/14/69/48/722146948.db2.gz UXZKQHOMRKTZCY-WIOPSUGQSA-N 1 1 448.542 3.922 20 0 IHADMO c1ccc(CSc2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164985455 722149599 /nfs/dbraw/zinc/14/95/99/722149599.db2.gz ZNJRUWMAGVCANO-XZOQPEGZSA-N 1 1 447.608 3.891 20 0 IHADMO Fc1ccc2nc(C(F)F)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974670 722152550 /nfs/dbraw/zinc/15/25/50/722152550.db2.gz OUBSCWIHZBQOLD-UZLBHIALSA-N 1 1 443.473 3.829 20 0 IHADMO Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1-c1ccccc1F ZINC001164971578 722154947 /nfs/dbraw/zinc/15/49/47/722154947.db2.gz BXHSKBXQOMAWTQ-NFBKMPQASA-N 1 1 433.531 3.713 20 0 IHADMO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]cnc5c4ccn5C(C)C)CC[C@@H]32)cs1 ZINC001164987656 722184723 /nfs/dbraw/zinc/18/47/23/722184723.db2.gz LDXMWNIAZXYONG-PMACEKPBSA-N 1 1 426.590 3.647 20 0 IHADMO COc1cc(Br)c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1O ZINC000679345629 1126105645 /nfs/dbraw/zinc/10/56/45/1126105645.db2.gz OWWZXVLAJNLXHY-YOEHRIQHSA-N 1 1 434.252 3.787 20 0 IHADMO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001620418888 1126240291 /nfs/dbraw/zinc/24/02/91/1126240291.db2.gz HBFIHTXQZHGOJH-XOBRGWDASA-N 1 1 438.366 3.575 20 0 IHADMO COc1nsc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1Br ZINC001620789851 1126242767 /nfs/dbraw/zinc/24/27/67/1126242767.db2.gz LVVBOFQIDCEDRW-GWCFXTLKSA-N 1 1 425.270 3.538 20 0 IHADMO CCOC(=O)c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C(=O)OCC ZINC001164627475 719113727 /nfs/dbraw/zinc/11/37/27/719113727.db2.gz KWINGJTXHNQICW-KNQAVFIVSA-N 1 1 437.540 3.536 20 0 IHADMO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2c1C ZINC001164637175 719237270 /nfs/dbraw/zinc/23/72/70/719237270.db2.gz UMISKNYKRVDHMJ-HOTGVXAUSA-N 1 1 445.633 3.691 20 0 IHADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4C[C@H](c5nc(C6CC6)cs5)O[C@@H]4C3)c2)CC1 ZINC001164649387 719290798 /nfs/dbraw/zinc/29/07/98/719290798.db2.gz WNDUBFGNCJHAPZ-ZLGUVYLKSA-N 1 1 426.586 3.855 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](N3CCCC3=O)C2)nc1 ZINC001164649747 719305857 /nfs/dbraw/zinc/30/58/57/719305857.db2.gz XPDOHRVDCCWERL-XOEOCAAJSA-N 1 1 426.605 3.625 20 0 IHADMO COc1cc2nc(Cl)nc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c2cc1OC ZINC001164649705 719310014 /nfs/dbraw/zinc/31/00/14/719310014.db2.gz RBBVXEOJCJPTND-UHFFFAOYSA-N 1 1 444.967 3.702 20 0 IHADMO CCOC(=O)c1cc2c(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)[nH]c(C)c(C)c-2n1 ZINC001164649831 719312426 /nfs/dbraw/zinc/31/24/26/719312426.db2.gz SVALBLOFQJWLAH-UHFFFAOYSA-N 1 1 438.576 3.758 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164650208 719312699 /nfs/dbraw/zinc/31/26/99/719312699.db2.gz VDRKNKOYLGZKPP-UHFFFAOYSA-N 1 1 445.930 3.858 20 0 IHADMO COC(=O)C[C@@H](c1ccnc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1)C1CC1 ZINC001164652828 719314759 /nfs/dbraw/zinc/31/47/59/719314759.db2.gz RDWPCXRHBFYLRQ-HXUWFJFHSA-N 1 1 425.577 3.540 20 0 IHADMO COc1ccc(-c2ccc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nn2)c(OC)c1 ZINC001164651043 719316492 /nfs/dbraw/zinc/31/64/92/719316492.db2.gz HCNSZQLFFJHYAY-UHFFFAOYSA-N 1 1 436.560 3.563 20 0 IHADMO COc1cc(Oc2ccnc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2)ccc1OCc1ccccc1 ZINC001164674278 719421671 /nfs/dbraw/zinc/42/16/71/719421671.db2.gz VQRQDXBQLQQPKK-WIOPSUGQSA-N 1 1 447.535 3.981 20 0 IHADMO C[N@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164667492 719442314 /nfs/dbraw/zinc/44/23/14/719442314.db2.gz HCTIQJBVLWJNFJ-UXHICEINSA-N 1 1 429.549 3.940 20 0 IHADMO C[N@H+]1CCO[C@@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164668201 719443727 /nfs/dbraw/zinc/44/37/27/719443727.db2.gz IGVHHOASWFFYCU-ZWKOTPCHSA-N 1 1 438.622 3.992 20 0 IHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1 ZINC001164677483 719561700 /nfs/dbraw/zinc/56/17/00/719561700.db2.gz OFWXTSAIFHZFJW-GOTSBHOMSA-N 1 1 438.616 3.650 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3sc(C)c(-c4ccccc4)c31)CC2 ZINC001164690040 719743547 /nfs/dbraw/zinc/74/35/47/719743547.db2.gz QKYSMVGGOHBIAV-UHFFFAOYSA-N 1 1 435.597 3.848 20 0 IHADMO CCc1ccc(Oc2nc(Cl)ncc2N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)cc1 ZINC001164689316 719756394 /nfs/dbraw/zinc/75/63/94/719756394.db2.gz APGJGMYEQMTFEO-UHFFFAOYSA-N 1 1 443.979 3.666 20 0 IHADMO COC[C@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)Cc2cn(C)nc21 ZINC001164697872 719832881 /nfs/dbraw/zinc/83/28/81/719832881.db2.gz ZDOCOZYZEDYWAU-GOSISDBHSA-N 1 1 448.596 3.904 20 0 IHADMO COC(=O)c1cccc2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ccc21 ZINC001164707723 719901369 /nfs/dbraw/zinc/90/13/69/719901369.db2.gz WIRYLXNTQYJOPM-UHFFFAOYSA-N 1 1 437.565 3.954 20 0 IHADMO c1csc(C[N@H+]2CCOC3(CCN(c4cc(-c5nc(C6CC6)no5)ccn4)CC3)C2)c1 ZINC001164707878 719904383 /nfs/dbraw/zinc/90/43/83/719904383.db2.gz XXHPMOUBVALRDQ-UHFFFAOYSA-N 1 1 437.569 3.942 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CCC3)CC2 ZINC001164712962 720100902 /nfs/dbraw/zinc/10/09/02/720100902.db2.gz ZGROUEVRMQLCAC-SFHVURJKSA-N 1 1 427.980 3.521 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3cccc(OC)c3n1)CC2 ZINC001164719437 720120891 /nfs/dbraw/zinc/12/08/91/720120891.db2.gz WSUIJXNZBOVUJJ-OAQYLSRUSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164807954 720121519 /nfs/dbraw/zinc/12/15/19/720121519.db2.gz DASBNKVSPCFUOK-HYBUGGRVSA-N 1 1 442.991 3.894 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)cnc1Cl)CC2 ZINC001164714380 720136247 /nfs/dbraw/zinc/13/62/47/720136247.db2.gz WQOVOSHJYIMRCI-QGZVFWFLSA-N 1 1 434.009 3.754 20 0 IHADMO C=Cc1nc(Cl)nc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1OC ZINC001164711304 720139663 /nfs/dbraw/zinc/13/96/63/720139663.db2.gz HDKPNRHUAGKUTM-SFHVURJKSA-N 1 1 443.979 3.684 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)nc(-c3ccc(Cl)nc3)n1)C2 ZINC001164815065 720191490 /nfs/dbraw/zinc/19/14/90/720191490.db2.gz HTUBQTBQTQHXJG-AUSIDOKSSA-N 1 1 427.980 3.685 20 0 IHADMO COc1ccc2c(cc(Cl)nc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1 ZINC001164814637 720230132 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Clc1ccc2c(c1)nc(Cl)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864928 721087859 /nfs/dbraw/zinc/08/78/59/721087859.db2.gz HNVODNLBIWBOPR-IRXDYDNUSA-N 1 1 430.339 3.811 20 0 IHADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865783 721090270 /nfs/dbraw/zinc/09/02/70/721090270.db2.gz PMEDDAKKQBOPAY-HOTGVXAUSA-N 1 1 433.890 3.636 20 0 IHADMO Fc1ccc(-c2nc(Cl)cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164881099 721159566 /nfs/dbraw/zinc/15/95/66/721159566.db2.gz ZASNMXSUKKBVHO-VQTJNVASSA-N 1 1 439.922 3.811 20 0 IHADMO FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164877631 721183352 /nfs/dbraw/zinc/18/33/52/721183352.db2.gz PHCLYMAJELBOKU-HUUCEWRRSA-N 1 1 445.297 3.688 20 0 IHADMO CCN1C(=O)[C@]2(CC[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]32)N=C1C ZINC001164872888 721228900 /nfs/dbraw/zinc/22/89/00/721228900.db2.gz OWDROBHRDPHSFA-WHCXKFMVSA-N 1 1 443.595 3.505 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)Oc4ccc(Cl)nc4Cl)C[C@H]3C2)cn1 ZINC001164766195 721236959 /nfs/dbraw/zinc/23/69/59/721236959.db2.gz SUYMZBPSABQKPH-ZIAGYGMSSA-N 1 1 432.302 3.505 20 0 IHADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164764675 721238996 /nfs/dbraw/zinc/23/89/96/721238996.db2.gz PKADUFNFRGINIK-RBUKOAKNSA-N 1 1 438.963 3.923 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001164770675 721276526 /nfs/dbraw/zinc/27/65/26/721276526.db2.gz WQRHLNPILRNXMF-RDPSFJRHSA-N 1 1 432.572 3.935 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001164770673 721277116 /nfs/dbraw/zinc/27/71/16/721277116.db2.gz WQRHLNPILRNXMF-GBXCKJPGSA-N 1 1 432.572 3.935 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)n1 ZINC001164874202 721312888 /nfs/dbraw/zinc/31/28/88/721312888.db2.gz BKRXBJHEUKYCHZ-DFQSSKMNSA-N 1 1 428.964 3.789 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccnc(-c4ccccc4)n3)C2)C1 ZINC001164777800 721337687 /nfs/dbraw/zinc/33/76/87/721337687.db2.gz QUZGLYRVOUQFCX-VWLOTQADSA-N 1 1 433.556 3.867 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccnc(-c4ccccc4)n3)C2)C1 ZINC001164777800 721337692 /nfs/dbraw/zinc/33/76/92/721337692.db2.gz QUZGLYRVOUQFCX-VWLOTQADSA-N 1 1 433.556 3.867 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4cc(F)ccc43)C2)C1 ZINC001164780040 721343462 /nfs/dbraw/zinc/34/34/62/721343462.db2.gz YTKJRTQMVFZCLR-DEOSSOPVSA-N 1 1 439.535 3.801 20 0 IHADMO COc1ccc2cnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc2c1 ZINC001164781651 721360164 /nfs/dbraw/zinc/36/01/64/721360164.db2.gz KIFBYWUKAGOSOK-RUZDIDTESA-N 1 1 436.556 3.967 20 0 IHADMO Cc1ccc(-c2ccc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)o1 ZINC001164787042 721369959 /nfs/dbraw/zinc/36/99/59/721369959.db2.gz XSFSSCFHBUDUIC-XMMPIXPASA-N 1 1 437.544 3.769 20 0 IHADMO Cc1ccc(-c2ccc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)o1 ZINC001164787042 721369964 /nfs/dbraw/zinc/36/99/64/721369964.db2.gz XSFSSCFHBUDUIC-XMMPIXPASA-N 1 1 437.544 3.769 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(C)c(C)cc43)C2)C1 ZINC001164787046 721372868 /nfs/dbraw/zinc/37/28/68/721372868.db2.gz XTEUQBNQLRZBQO-VWLOTQADSA-N 1 1 435.572 3.970 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)nc1 ZINC001164892173 721377404 /nfs/dbraw/zinc/37/74/04/721377404.db2.gz RZVJNCQZRYGUPU-GGAORHGYSA-N 1 1 434.650 3.803 20 0 IHADMO CC(C)c1cc2c(ncnc2N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)s1 ZINC001164889913 721381165 /nfs/dbraw/zinc/38/11/65/721381165.db2.gz MXSLKJCGJUYQQH-JPYJTQIMSA-N 1 1 429.634 3.580 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccnc(Cl)c4Cl)C3)O2)CC1 ZINC001164886296 721387621 /nfs/dbraw/zinc/38/76/21/721387621.db2.gz DZBBQKWKKHBLDW-KXBFYZLASA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)C3)O2)CC1 ZINC001164892875 721395156 /nfs/dbraw/zinc/39/51/56/721395156.db2.gz UFCZJDYADMWXOK-XUZZJYLKSA-N 1 1 442.007 3.562 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1Cl ZINC001164790752 721400171 /nfs/dbraw/zinc/40/01/71/721400171.db2.gz XXIHJAASAIWMQS-RYUDHWBXSA-N 1 1 427.357 3.590 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C3)O2)CC1 ZINC001164890959 721410049 /nfs/dbraw/zinc/41/00/49/721410049.db2.gz UTEMSNVJSINWCM-KXBFYZLASA-N 1 1 449.373 3.699 20 0 IHADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2cc(Cl)ccc12 ZINC001164891074 721421756 /nfs/dbraw/zinc/42/17/56/721421756.db2.gz VCANEVJFQFUUAE-HYBUGGRVSA-N 1 1 429.008 3.962 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5Cl)nn4)C3)O2)CC1 ZINC001164883483 721422889 /nfs/dbraw/zinc/42/28/89/721422889.db2.gz ACPDIHPFYXTDSO-CYFREDJKSA-N 1 1 442.007 3.562 20 0 IHADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2c(Cl)cccc12 ZINC001164889513 721426162 /nfs/dbraw/zinc/42/61/62/721426162.db2.gz BFCNAVCCTIGGMS-YADARESESA-N 1 1 429.008 3.962 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(Cl)ccc(F)c5n4)C3)O2)CC1 ZINC001164890220 721446444 /nfs/dbraw/zinc/44/64/44/721446444.db2.gz CKWACLTWENCSPF-GAJHUEQPSA-N 1 1 432.971 3.793 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(Cl)ccc(F)c5n4)C3)O2)CC1 ZINC001164890222 721447743 /nfs/dbraw/zinc/44/77/43/721447743.db2.gz CKWACLTWENCSPF-SBUREZEXSA-N 1 1 432.971 3.793 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164787810 721455647 /nfs/dbraw/zinc/45/56/47/721455647.db2.gz QSNHKUGKWZLNRH-GOSISDBHSA-N 1 1 448.011 3.654 20 0 IHADMO CCOc1cc(Cl)nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1 ZINC001164789379 721459135 /nfs/dbraw/zinc/45/91/35/721459135.db2.gz XNRDJLLXUAXGKH-IBGZPJMESA-N 1 1 438.012 3.868 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@H](F)c1ccnc(Cl)c1)CC2 ZINC001164784065 721459467 /nfs/dbraw/zinc/45/94/67/721459467.db2.gz GSAYDKLOVPBWNO-FPOVZHCZSA-N 1 1 425.976 3.933 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(Cl)c1C(C)C)CC2 ZINC001164787252 721471373 /nfs/dbraw/zinc/47/13/73/721471373.db2.gz DTEDDDLAWSWQEV-IBGZPJMESA-N 1 1 437.028 3.987 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@@]3(COc3ncccc3F)C2)nc1 ZINC001164793633 721488069 /nfs/dbraw/zinc/48/80/69/721488069.db2.gz UZTAKZRBJAEWQF-XZDHIHRUSA-N 1 1 426.536 3.694 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)nc4Cl)CC[N@H+]3C2)c1 ZINC001164899966 721512242 /nfs/dbraw/zinc/51/22/42/721512242.db2.gz MPCCEXYVUOQFCA-TZMCWYRMSA-N 1 1 433.261 3.809 20 0 IHADMO COc1cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc(Cl)n1 ZINC001164807175 721533060 /nfs/dbraw/zinc/53/30/60/721533060.db2.gz PWHNHGWRKCFAAW-UWVAXJGDSA-N 1 1 438.906 3.552 20 0 IHADMO COc1cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc(Cl)n1 ZINC001164807175 721533063 /nfs/dbraw/zinc/53/30/63/721533063.db2.gz PWHNHGWRKCFAAW-UWVAXJGDSA-N 1 1 438.906 3.552 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(F)c(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164811157 721534220 /nfs/dbraw/zinc/53/42/20/721534220.db2.gz YYNHGYDGJQFUBR-JFIYKMOQSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(F)c(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164811157 721534223 /nfs/dbraw/zinc/53/42/23/721534223.db2.gz YYNHGYDGJQFUBR-JFIYKMOQSA-N 1 1 426.870 3.682 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)s1 ZINC001164810071 721544227 /nfs/dbraw/zinc/54/42/27/721544227.db2.gz WXZPPMROZPTUHQ-BZSNNMDCSA-N 1 1 429.977 3.916 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)s1 ZINC001164810071 721544232 /nfs/dbraw/zinc/54/42/32/721544232.db2.gz WXZPPMROZPTUHQ-BZSNNMDCSA-N 1 1 429.977 3.916 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(Cc3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164809589 721546612 /nfs/dbraw/zinc/54/66/12/721546612.db2.gz VPPUYNLLGKORTH-BKSPAHHJSA-N 1 1 449.986 3.984 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(Cc3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164809589 721546614 /nfs/dbraw/zinc/54/66/14/721546614.db2.gz VPPUYNLLGKORTH-BKSPAHHJSA-N 1 1 449.986 3.984 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)CC[N@H+]3C2)c1 ZINC001164907366 721548780 /nfs/dbraw/zinc/54/87/80/721548780.db2.gz NFAVOVRKWLUPQC-NVXWUHKLSA-N 1 1 449.864 3.704 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164810725 721551980 /nfs/dbraw/zinc/55/19/80/721551980.db2.gz YLXRNHRWDNIFFJ-AOIWGVFYSA-N 1 1 438.906 3.552 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164810725 721551983 /nfs/dbraw/zinc/55/19/83/721551983.db2.gz YLXRNHRWDNIFFJ-AOIWGVFYSA-N 1 1 438.906 3.552 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)CC[N@H+]3C2)c1 ZINC001164911496 721552026 /nfs/dbraw/zinc/55/20/26/721552026.db2.gz ZHCVTQHUSBKLJY-DZGCQCFKSA-N 1 1 434.302 3.813 20 0 IHADMO COc1cccc2c1nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804500 721552300 /nfs/dbraw/zinc/55/23/00/721552300.db2.gz KBCUOZIOMXYVRC-LVCYWYKZSA-N 1 1 439.947 3.555 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2F)[C@H]2CCCO[C@H]12 ZINC001164803698 721552579 /nfs/dbraw/zinc/55/25/79/721552579.db2.gz IUWWQDQETNPAQC-SCTDSRPQSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2F)[C@H]2CCCO[C@H]12 ZINC001164803698 721552582 /nfs/dbraw/zinc/55/25/82/721552582.db2.gz IUWWQDQETNPAQC-SCTDSRPQSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)-c2ccccc2CC3)[C@H]2CCCO[C@H]12 ZINC001164803117 721570806 /nfs/dbraw/zinc/57/08/06/721570806.db2.gz JONUPZLIIWBQNJ-ARNLJNQMSA-N 1 1 427.552 3.505 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)-c2ccccc2CC3)[C@H]2CCCO[C@H]12 ZINC001164803117 721570810 /nfs/dbraw/zinc/57/08/10/721570810.db2.gz JONUPZLIIWBQNJ-ARNLJNQMSA-N 1 1 427.552 3.505 20 0 IHADMO CC(C)c1noc(-c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2)n1 ZINC001164805158 721585373 /nfs/dbraw/zinc/58/53/73/721585373.db2.gz KTRBBUDFOCYVNW-URVUXULASA-N 1 1 434.544 3.518 20 0 IHADMO CCOC(=O)c1cc(F)cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907031 721587481 /nfs/dbraw/zinc/58/74/81/721587481.db2.gz QKIPIYSBWAPAGM-OAQYLSRUSA-N 1 1 434.462 3.530 20 0 IHADMO FC1(F)CCN(c2nc(Cl)nc3ncccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904895 721587596 /nfs/dbraw/zinc/58/75/96/721587596.db2.gz HNLLXKCTFKFRNE-FQEVSTJZSA-N 1 1 430.890 3.811 20 0 IHADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164808129 721588393 /nfs/dbraw/zinc/58/83/93/721588393.db2.gz PZEHUYLEXHNNFH-BIATYSSJSA-N 1 1 435.616 3.892 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164808129 721588394 /nfs/dbraw/zinc/58/83/94/721588394.db2.gz PZEHUYLEXHNNFH-BIATYSSJSA-N 1 1 435.616 3.892 20 0 IHADMO FC1(F)CCN(c2ncnc3nc(Cl)ccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904935 721692220 /nfs/dbraw/zinc/69/22/20/721692220.db2.gz HTCBVXOUXYZXTL-FQEVSTJZSA-N 1 1 430.890 3.811 20 0 IHADMO FC1(F)CCN(c2nc(Cl)nc3cccnc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907924 721692759 /nfs/dbraw/zinc/69/27/59/721692759.db2.gz WOWSNHZTGOEUGJ-HXUWFJFHSA-N 1 1 430.890 3.811 20 0 IHADMO CC(C)(C)NC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164906041 721705370 /nfs/dbraw/zinc/70/53/70/721705370.db2.gz JNATZANOLXTDNB-HSZRJFAPSA-N 1 1 443.542 3.743 20 0 IHADMO COc1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncc2c1 ZINC001164907320 721708919 /nfs/dbraw/zinc/70/89/19/721708919.db2.gz QTBLMESSCWKPMX-JOCHJYFZSA-N 1 1 425.483 3.771 20 0 IHADMO FC(F)(c1cncc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904340 721717977 /nfs/dbraw/zinc/71/79/77/721717977.db2.gz BVMZAZQHLPQYNO-KRWDZBQOSA-N 1 1 429.849 3.808 20 0 IHADMO COC(=O)/C=C\c1cc(C)cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904360 721718448 /nfs/dbraw/zinc/71/84/48/721718448.db2.gz CGNDNICNAYLQRP-KSEXMQBYSA-N 1 1 442.510 3.709 20 0 IHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cccc3ccnc(Cl)c32)CC1 ZINC001165009607 721740171 /nfs/dbraw/zinc/74/01/71/721740171.db2.gz GVZBNDRWHAYZLW-UHFFFAOYSA-N 1 1 436.934 3.956 20 0 IHADMO COC(=O)c1ccc(Cl)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164909428 721743951 /nfs/dbraw/zinc/74/39/51/721743951.db2.gz SOMCIIPQUVUFFP-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COC(=O)c1ccc(Cl)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164909428 721743962 /nfs/dbraw/zinc/74/39/62/721743962.db2.gz SOMCIIPQUVUFFP-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)nc1 ZINC001165021850 721785408 /nfs/dbraw/zinc/78/54/08/721785408.db2.gz PTZUXWNJYNFUAL-RCZVLFRGSA-N 1 1 434.588 3.832 20 0 IHADMO COC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025111 721803572 /nfs/dbraw/zinc/80/35/72/721803572.db2.gz NPGLQHFDPVRXFB-AVCGJXAMSA-N 1 1 431.540 3.548 20 0 IHADMO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1OCC ZINC001165027300 721811247 /nfs/dbraw/zinc/81/12/47/721811247.db2.gz UAESLACHSSLURF-YUXAGFNASA-N 1 1 438.572 3.789 20 0 IHADMO CCOC(=O)c1cnc(C2CC2)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024148 721811980 /nfs/dbraw/zinc/81/19/80/721811980.db2.gz JDMNAQJHGKBJTN-VLCRHTCISA-N 1 1 435.572 3.663 20 0 IHADMO CCOC(=O)c1cnc(C2CC2)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024151 721811995 /nfs/dbraw/zinc/81/19/95/721811995.db2.gz JDMNAQJHGKBJTN-YUXAGFNASA-N 1 1 435.572 3.663 20 0 IHADMO Cc1cnc2n1CCN(C)C21CCN(c2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001164917314 721816529 /nfs/dbraw/zinc/81/65/29/721816529.db2.gz LAPMWMBRDZLGCB-UHFFFAOYSA-N 1 1 445.546 3.565 20 0 IHADMO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)no1 ZINC001165024637 721822919 /nfs/dbraw/zinc/82/29/19/721822919.db2.gz KUTMOACAFDGEOD-YUXAGFNASA-N 1 1 446.555 3.762 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(N)cc(Cl)n2)CC1 ZINC001165022027 721841557 /nfs/dbraw/zinc/84/15/57/721841557.db2.gz NBIBBIJXEJTARU-UHFFFAOYSA-N 1 1 440.922 3.980 20 0 IHADMO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940848 721921779 /nfs/dbraw/zinc/92/17/79/721921779.db2.gz VEDOSMOBQZQEQS-UHFFFAOYSA-N 1 1 446.551 3.596 20 0 IHADMO COC(=O)c1ccc2cnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nc2c1 ZINC001164940471 721921873 /nfs/dbraw/zinc/92/18/73/721921873.db2.gz RDQJHLMURVPVTP-UHFFFAOYSA-N 1 1 446.551 3.596 20 0 IHADMO CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)[nH+]cc21 ZINC001164938623 721930711 /nfs/dbraw/zinc/93/07/11/721930711.db2.gz BEZKMJFXESKTMI-UHFFFAOYSA-N 1 1 448.567 3.919 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCCn3cnc(COc4cccnc4)c3C2)n1 ZINC001164950328 721997660 /nfs/dbraw/zinc/99/76/60/721997660.db2.gz HTVVHWYMGGZQCA-UHFFFAOYSA-N 1 1 438.963 3.912 20 0 IHADMO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953047 722016874 /nfs/dbraw/zinc/01/68/74/722016874.db2.gz RGEFQOZEOLGTHE-UHFFFAOYSA-N 1 1 431.540 3.694 20 0 IHADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055691 722018771 /nfs/dbraw/zinc/01/87/71/722018771.db2.gz SPKDGDWRLFVQQV-QFIPXVFZSA-N 1 1 427.911 3.684 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)nc1 ZINC001164956136 722035175 /nfs/dbraw/zinc/03/51/75/722035175.db2.gz CCZNAGQRSAARLJ-PPJWLVRDSA-N 1 1 433.600 3.946 20 0 IHADMO O=C(c1ccco1)N1CC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164956643 722046873 /nfs/dbraw/zinc/04/68/73/722046873.db2.gz CDGCDKDXMIPWQW-GGAORHGYSA-N 1 1 428.536 3.584 20 0 IHADMO CC(C)(C)OC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164962585 722055650 /nfs/dbraw/zinc/05/56/50/722055650.db2.gz FRGMKWWJWDVQTB-UHFFFAOYSA-N 1 1 438.572 3.551 20 0 IHADMO COc1ccc(-c2cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ncn2)cc1 ZINC001164960023 722060152 /nfs/dbraw/zinc/06/01/52/722060152.db2.gz DAUISEGRAILQMT-UHFFFAOYSA-N 1 1 445.567 3.666 20 0 IHADMO COc1ccccc1-c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncn1 ZINC001164960664 722060400 /nfs/dbraw/zinc/06/04/00/722060400.db2.gz GMUPSIYRCJKOIB-UHFFFAOYSA-N 1 1 445.567 3.666 20 0 IHADMO Fc1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164977175 722104377 /nfs/dbraw/zinc/10/43/77/722104377.db2.gz DVRMVTTUIDYYNC-RDJZCZTQSA-N 1 1 426.870 3.541 20 0 IHADMO Fc1cc2nc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1F ZINC001164972453 722111809 /nfs/dbraw/zinc/11/18/09/722111809.db2.gz FOOIHDUAFFRFNW-YWZLYKJASA-N 1 1 445.901 3.684 20 0 IHADMO Clc1cccc(-c2cccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164983237 722119058 /nfs/dbraw/zinc/11/90/58/722119058.db2.gz YRMBKHAGSYDUTJ-KNQAVFIVSA-N 1 1 435.959 3.919 20 0 IHADMO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983293 722129782 /nfs/dbraw/zinc/12/97/82/722129782.db2.gz SXYFWUKLSJIHPV-XUZZJYLKSA-N 1 1 446.551 3.534 20 0 IHADMO Clc1ccc2[nH]c3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c3c2c1 ZINC001164976988 722137281 /nfs/dbraw/zinc/13/72/81/722137281.db2.gz HMJZJZOPCKHAFF-UWJYYQICSA-N 1 1 448.958 3.887 20 0 IHADMO Cc1nc2sc3c(c2c(N2CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C2)n1)CCC3 ZINC001164983809 722138621 /nfs/dbraw/zinc/13/86/21/722138621.db2.gz VFBVSARZKJGMSB-QUCCMNQESA-N 1 1 435.597 3.611 20 0 IHADMO c1ccc(COc2cccnc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164980358 722138676 /nfs/dbraw/zinc/13/86/76/722138676.db2.gz NEWMOPWEBAHPAD-NOZRDPDXSA-N 1 1 430.552 3.783 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971707 722153979 /nfs/dbraw/zinc/15/39/79/722153979.db2.gz DIUWGJXHQILCEF-QPPBQGQZSA-N 1 1 433.531 3.713 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC001164991507 722187372 /nfs/dbraw/zinc/18/73/72/722187372.db2.gz PGLOALVZDRBEQL-UGKGYDQZSA-N 1 1 434.005 3.648 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC001164991507 722187373 /nfs/dbraw/zinc/18/73/73/722187373.db2.gz PGLOALVZDRBEQL-UGKGYDQZSA-N 1 1 434.005 3.648 20 0 IHADMO O=C1NCCc2[nH]c(-c3ccnc(N4CCC[C@@]5(CC[N@@H+]5Cc5cccc(F)c5)C4)c3)cc21 ZINC001164994732 722199323 /nfs/dbraw/zinc/19/93/23/722199323.db2.gz PMLGQYXTGJTSMJ-AREMUKBSSA-N 1 1 445.542 3.747 20 0 IHADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164994403 722207065 /nfs/dbraw/zinc/20/70/65/722207065.db2.gz GDVNMDVACUQPRJ-JOCHJYFZSA-N 1 1 443.910 3.782 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165001413 722249985 /nfs/dbraw/zinc/24/99/85/722249985.db2.gz QBLLORIIRXFFNR-BWKNWUBXSA-N 1 1 438.572 3.733 20 0 IHADMO COc1cc(-c2noc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)n2)ccc1C ZINC001198218965 1126154841 /nfs/dbraw/zinc/15/48/41/1126154841.db2.gz LTEOMPLHFLXUMN-NRFANRHFSA-N 1 1 446.345 3.899 20 0 IHADMO COC(=O)[C@]1(C)CCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164391964 718805346 /nfs/dbraw/zinc/80/53/46/718805346.db2.gz XFSBBLFTGRLGDM-WNSKOXEYSA-N 1 1 428.602 3.944 20 0 IHADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC(F)C3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164415851 718884128 /nfs/dbraw/zinc/88/41/28/718884128.db2.gz OBNXLQRSMDBTES-QGZVFWFLSA-N 1 1 432.584 3.599 20 0 IHADMO Cc1[nH+]cc2n1CCN(c1nc(CN3CCOCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164439568 718990143 /nfs/dbraw/zinc/99/01/43/718990143.db2.gz FJAIYMJOCRUOSU-UHFFFAOYSA-N 1 1 446.580 3.716 20 0 IHADMO CCOC(=O)[C@@]12C[C@@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164625505 719041537 /nfs/dbraw/zinc/04/15/37/719041537.db2.gz PXESRSVMMXUIGW-NPMXOYFQSA-N 1 1 426.586 3.698 20 0 IHADMO C[C@@H]1CN([C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)[C@@H](C)C[N@H+]1C ZINC001164638769 719213820 /nfs/dbraw/zinc/21/38/20/719213820.db2.gz PDOZKALOKTVBIJ-LRAJWGHMSA-N 1 1 438.378 3.946 20 0 IHADMO C[N@H+]1CCO[C@H]2CN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)C[C@H]21 ZINC001164675071 719437041 /nfs/dbraw/zinc/43/70/41/719437041.db2.gz YLCWVFPHUKVAHW-YADHBBJMSA-N 1 1 429.499 3.746 20 0 IHADMO COC(=O)c1c[nH]c2nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)ccc12 ZINC001164692593 719806809 /nfs/dbraw/zinc/80/68/09/719806809.db2.gz KLDSWOMTKQUQFE-UHFFFAOYSA-N 1 1 425.558 3.749 20 0 IHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2cc(Cl)ccc21 ZINC001164698623 719848955 /nfs/dbraw/zinc/84/89/55/719848955.db2.gz GGKYGYNNIYGHNG-BTYIYWSLSA-N 1 1 438.355 3.774 20 0 IHADMO C[C@H]1CCCN(c2cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ncn2)C1 ZINC001164707293 719901461 /nfs/dbraw/zinc/90/14/61/719901461.db2.gz OPIXIPCKKBAOIX-IBGZPJMESA-N 1 1 427.618 3.646 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nccc(Cl)n1)CC2 ZINC001164712717 720099451 /nfs/dbraw/zinc/09/94/51/720099451.db2.gz YLNBUZGYRCXEGF-QGZVFWFLSA-N 1 1 437.922 3.577 20 0 IHADMO CCOc1cc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c2cc1OCC ZINC001164814934 720117120 /nfs/dbraw/zinc/11/71/20/720117120.db2.gz UOYHYGACYFPCKS-DFBJGRDBSA-N 1 1 440.588 3.612 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164718046 720118185 /nfs/dbraw/zinc/11/81/85/720118185.db2.gz QVINMTQAFCHCEB-RXVVDRJESA-N 1 1 434.943 3.765 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(C)o3)nn1)CC2 ZINC001164713957 720148973 /nfs/dbraw/zinc/14/89/73/720148973.db2.gz UKXOXJOQTVEHLQ-NRFANRHFSA-N 1 1 433.556 3.948 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164818166 720167681 /nfs/dbraw/zinc/16/76/81/720167681.db2.gz RYHVNFPQNJFCDN-FQRUVTKNSA-N 1 1 429.568 3.877 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001164818500 720173682 /nfs/dbraw/zinc/17/36/82/720173682.db2.gz SXFVUHAKTLKVMA-YKSBVNFPSA-N 1 1 447.023 3.546 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001164818496 720174326 /nfs/dbraw/zinc/17/43/26/720174326.db2.gz SXFVUHAKTLKVMA-GBXCKJPGSA-N 1 1 447.023 3.546 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164817844 720177471 /nfs/dbraw/zinc/17/74/71/720177471.db2.gz QKMCGVGTBUGGNE-OZXSUGGESA-N 1 1 435.568 3.623 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164817840 720178378 /nfs/dbraw/zinc/17/83/78/720178378.db2.gz QKMCGVGTBUGGNE-BVAGGSTKSA-N 1 1 435.568 3.623 20 0 IHADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729809 720348070 /nfs/dbraw/zinc/34/80/70/720348070.db2.gz YEAOITGIOCOTFD-IRXDYDNUSA-N 1 1 434.922 3.523 20 0 IHADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729809 720348079 /nfs/dbraw/zinc/34/80/79/720348079.db2.gz YEAOITGIOCOTFD-IRXDYDNUSA-N 1 1 434.922 3.523 20 0 IHADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164726735 720351415 /nfs/dbraw/zinc/35/14/15/720351415.db2.gz ROMIAEWIPGOWMF-FGZHOGPDSA-N 1 1 447.970 3.913 20 0 IHADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c2[nH]cnc21 ZINC001164733605 720427357 /nfs/dbraw/zinc/42/73/57/720427357.db2.gz PYFRQYBBNLVEEY-ZWKOTPCHSA-N 1 1 435.532 3.553 20 0 IHADMO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164722431 720472765 /nfs/dbraw/zinc/47/27/65/720472765.db2.gz AJVPYPBSQYLKAI-RPBOFIJWSA-N 1 1 429.568 3.941 20 0 IHADMO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164835343 720506688 /nfs/dbraw/zinc/50/66/88/720506688.db2.gz KEBUWHWIYNNZHZ-LLGFUMIMSA-N 1 1 440.979 3.866 20 0 IHADMO COCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccccc2)n1 ZINC001164833339 720513548 /nfs/dbraw/zinc/51/35/48/720513548.db2.gz DFMPRHNZWHJRFR-GMKZXUHWSA-N 1 1 446.599 3.864 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4ccc(F)cc43)CC[C@@H]21 ZINC001164837919 720515257 /nfs/dbraw/zinc/51/52/57/720515257.db2.gz QPYOOSHGTDKMDI-KNBMTAEXSA-N 1 1 428.943 3.997 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)Oc3cccc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837928 720525226 /nfs/dbraw/zinc/52/52/26/720525226.db2.gz QQJSWUSABSRNDZ-IXDOHACOSA-N 1 1 425.911 3.734 20 0 IHADMO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164835386 720532339 /nfs/dbraw/zinc/53/23/39/720532339.db2.gz HAPNHHKFEMPVNJ-FUPPJEDESA-N 1 1 433.556 3.596 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c(F)cccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840810 720534916 /nfs/dbraw/zinc/53/49/16/720534916.db2.gz UAJHIWJPVNRGPK-TXPKVOOTSA-N 1 1 428.943 3.997 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3CCCCC4)CC[C@@H]21 ZINC001164833638 720537744 /nfs/dbraw/zinc/53/77/44/720537744.db2.gz BARRQYHWZWCOHB-WFXMLNOXSA-N 1 1 429.012 3.973 20 0 IHADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)n1 ZINC001164842405 720540036 /nfs/dbraw/zinc/54/00/36/720540036.db2.gz XCJYTVQSFVTIJW-SOLBZPMBSA-N 1 1 439.938 3.863 20 0 IHADMO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c21 ZINC001164835340 720553909 /nfs/dbraw/zinc/55/39/09/720553909.db2.gz GVLGIDLNDAYQFC-JENIJYKNSA-N 1 1 440.979 3.866 20 0 IHADMO CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncn1 ZINC001164840151 720572593 /nfs/dbraw/zinc/57/25/93/720572593.db2.gz RWQOEUGKWYDCSI-FDFHNCONSA-N 1 1 425.625 3.677 20 0 IHADMO COc1cccc(-c2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)n2)c1 ZINC001164833599 720573587 /nfs/dbraw/zinc/57/35/87/720573587.db2.gz AOSLXOAGTGVEBL-AWRGLXIESA-N 1 1 432.572 3.727 20 0 IHADMO COc1ccccc1-c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nn1 ZINC001164835260 720604058 /nfs/dbraw/zinc/60/40/58/720604058.db2.gz AUGPPODDPAXUPI-ZRCGQRJVSA-N 1 1 432.572 3.727 20 0 IHADMO COc1cc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844175 720637849 /nfs/dbraw/zinc/63/78/49/720637849.db2.gz ZOPDEUCNJBOMJN-YCRNBWNJSA-N 1 1 435.572 3.826 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(-c4ccncc4)n3)CC[C@@H]21 ZINC001164835982 720640154 /nfs/dbraw/zinc/64/01/54/720640154.db2.gz DHQLCWGPETZPIL-ZJOUEHCJSA-N 1 1 437.979 3.766 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(F)ccc4c(Cl)ncnc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842616 720647463 /nfs/dbraw/zinc/64/74/63/720647463.db2.gz SOUZZQGYRQKXIT-JTDSTZFVSA-N 1 1 428.943 3.997 20 0 IHADMO Clc1nc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)c1Cl ZINC001164736659 720662788 /nfs/dbraw/zinc/66/27/88/720662788.db2.gz AGDMUBPDLGOXHY-ZJUUUORDSA-N 1 1 435.142 3.827 20 0 IHADMO 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FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739307 720720156 /nfs/dbraw/zinc/72/01/56/720720156.db2.gz MYYDDOIIHUKNRY-HOTGVXAUSA-N 1 1 431.874 3.565 20 0 IHADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741812 720727980 /nfs/dbraw/zinc/72/79/80/720727980.db2.gz NBNGMRZMLYAGCX-UONOGXRCSA-N 1 1 446.338 3.682 20 0 IHADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752507 720806668 /nfs/dbraw/zinc/80/66/68/720806668.db2.gz ZAQWLEBYKBKNBE-CVEARBPZSA-N 1 1 447.873 3.672 20 0 IHADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752507 720806672 /nfs/dbraw/zinc/80/66/72/720806672.db2.gz ZAQWLEBYKBKNBE-CVEARBPZSA-N 1 1 447.873 3.672 20 0 IHADMO CC(C)c1cc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164745532 720809439 /nfs/dbraw/zinc/80/94/39/720809439.db2.gz KTEGHODLBHDHKW-NLWGTHIKSA-N 1 1 437.617 3.786 20 0 IHADMO 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Cc1nc2ccoc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748004 720868990 /nfs/dbraw/zinc/86/89/90/720868990.db2.gz DIAHUYXREOBRJJ-OFVILXPXSA-N 1 1 433.556 3.681 20 0 IHADMO Clc1cc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164751674 720873515 /nfs/dbraw/zinc/87/35/15/720873515.db2.gz LVBVMHWWOKLVPA-XMSQKQJNSA-N 1 1 448.398 3.934 20 0 IHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nccc4ncccc42)C3)c1 ZINC001164754824 720875483 /nfs/dbraw/zinc/87/54/83/720875483.db2.gz STPAUQLJUYOODK-NVQXNPDNSA-N 1 1 429.568 3.780 20 0 IHADMO COc1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750089 720875602 /nfs/dbraw/zinc/87/56/02/720875602.db2.gz ITHACNIZGMCQRL-RDPSFJRHSA-N 1 1 442.991 3.894 20 0 IHADMO Clc1cnc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755927 720887092 /nfs/dbraw/zinc/88/70/92/720887092.db2.gz NJXQBQUMZSOYPR-AVRDEDQJSA-N 1 1 448.398 3.934 20 0 IHADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869946 721053045 /nfs/dbraw/zinc/05/30/45/721053045.db2.gz USIDBZSTDKRXHV-CVEARBPZSA-N 1 1 429.298 3.808 20 0 IHADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869925 721062036 /nfs/dbraw/zinc/06/20/36/721062036.db2.gz UNLCGDQYSXYVRY-QZTJIDSGSA-N 1 1 445.901 3.703 20 0 IHADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865135 721085990 /nfs/dbraw/zinc/08/59/90/721085990.db2.gz IPWLPBZSYPUENU-GJZGRUSLSA-N 1 1 429.298 3.808 20 0 IHADMO Clc1ccc2[nH]c3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c3c2c1 ZINC001164877011 721133223 /nfs/dbraw/zinc/13/32/23/721133223.db2.gz NUMTWPOJPAOLDJ-ROUUACIJSA-N 1 1 434.931 3.639 20 0 IHADMO c1cc2c(nc(-c3ccncc3)nc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164878519 721173039 /nfs/dbraw/zinc/17/30/39/721173039.db2.gz QJGPJYPUHLNKOM-WOJBJXKFSA-N 1 1 444.564 3.628 20 0 IHADMO Clc1cccc2nc(Cl)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc12 ZINC001164872188 721178779 /nfs/dbraw/zinc/17/87/79/721178779.db2.gz GUNFASILDKOWSM-HZPDHXFCSA-N 1 1 430.339 3.811 20 0 IHADMO c1ccc(SCc2nccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164870981 721183018 /nfs/dbraw/zinc/18/30/18/721183018.db2.gz CTYWMZFSHKBOOD-SFTDATJTSA-N 1 1 433.581 3.644 20 0 IHADMO Clc1ccc2c(Cl)ncnc2c1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871378 721190976 /nfs/dbraw/zinc/19/09/76/721190976.db2.gz YSXXXXXBTCTUNN-JKSUJKDBSA-N 1 1 430.339 3.811 20 0 IHADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871389 721198215 /nfs/dbraw/zinc/19/82/15/721198215.db2.gz YVUUBVXTSZTSEF-ZWKOTPCHSA-N 1 1 442.922 3.911 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C[C@H]3C2)cn1 ZINC001164763289 721239957 /nfs/dbraw/zinc/23/99/57/721239957.db2.gz NDYPMLJZLYKKDO-UONOGXRCSA-N 1 1 432.302 3.505 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)cc3Cl)C2)C1 ZINC001164776367 721335566 /nfs/dbraw/zinc/33/55/66/721335566.db2.gz FBLVJWKRIRDSHS-IBGZPJMESA-N 1 1 426.348 3.507 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)cc3Cl)C2)C1 ZINC001164776367 721335571 /nfs/dbraw/zinc/33/55/71/721335571.db2.gz FBLVJWKRIRDSHS-IBGZPJMESA-N 1 1 426.348 3.507 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccncc4)cn3)C2)C1 ZINC001164787804 721365572 /nfs/dbraw/zinc/36/55/72/721365572.db2.gz ZYZKAGFITNVGEN-RUZDIDTESA-N 1 1 433.556 3.867 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(C)c(C)cc43)C2)C1 ZINC001164787045 721373241 /nfs/dbraw/zinc/37/32/41/721373241.db2.gz XTEUQBNQLRZBQO-RUZDIDTESA-N 1 1 435.572 3.970 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164890985 721384220 /nfs/dbraw/zinc/38/42/20/721384220.db2.gz PSWKTBFYSSXQCM-KXBFYZLASA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164893579 721387120 /nfs/dbraw/zinc/38/71/20/721387120.db2.gz VJVHVNRLKNDMHR-LPHOPBHVSA-N 1 1 449.373 3.699 20 0 IHADMO COC(=O)c1ccc(-c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2C)cc1 ZINC001164788286 721423911 /nfs/dbraw/zinc/42/39/11/721423911.db2.gz SRNWLNYPSIBNBQ-WOJBJXKFSA-N 1 1 434.565 3.868 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164896822 721433434 /nfs/dbraw/zinc/43/34/34/721433434.db2.gz SDMPUUOCFHNJPQ-FDDCHVKYSA-N 1 1 436.044 3.501 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3scc(C)c31)CC2 ZINC001164789314 721450338 /nfs/dbraw/zinc/45/03/38/721450338.db2.gz UPMRFIBDFRWPOM-LJQANCHMSA-N 1 1 430.618 3.734 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)Sc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164886537 721451132 /nfs/dbraw/zinc/45/11/32/721451132.db2.gz HCIUANZLYSQYKS-APWZRJJASA-N 1 1 446.995 3.638 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)cc1Cl)CC2 ZINC001164783356 721451378 /nfs/dbraw/zinc/45/13/78/721451378.db2.gz BQPJLAACNAZPJR-INIZCTEOSA-N 1 1 429.392 3.517 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(F)ccc31)CC2 ZINC001164784001 721452545 /nfs/dbraw/zinc/45/25/45/721452545.db2.gz DDHAGKBCWLVCFK-HXUWFJFHSA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)ncc1Cl)CC2 ZINC001164785965 721453232 /nfs/dbraw/zinc/45/32/32/721453232.db2.gz KKPGOIDIKSMREE-QGZVFWFLSA-N 1 1 441.041 3.586 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cc(OC)ccc3n1)CC2 ZINC001164783289 721455624 /nfs/dbraw/zinc/45/56/24/721455624.db2.gz BHKKLNZUZPTCHN-JOCHJYFZSA-N 1 1 439.600 3.977 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164784194 721458322 /nfs/dbraw/zinc/45/83/22/721458322.db2.gz HDSNPMDASZGXQZ-LJQANCHMSA-N 1 1 449.039 3.743 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164786760 721459793 /nfs/dbraw/zinc/45/97/93/721459793.db2.gz PHGBOUKXRKAIQQ-RXVVDRJESA-N 1 1 441.975 3.596 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164785513 721459890 /nfs/dbraw/zinc/45/98/90/721459890.db2.gz LWTVSFYSBCJDPH-GHTZIAJQSA-N 1 1 441.975 3.596 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164790093 721473244 /nfs/dbraw/zinc/47/32/44/721473244.db2.gz QVHNJLYYFALXMH-IBGZPJMESA-N 1 1 449.039 3.743 20 0 IHADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900348 721512527 /nfs/dbraw/zinc/51/25/27/721512527.db2.gz QWAGGRNJGYSKHT-FUHWJXTLSA-N 1 1 433.911 3.701 20 0 IHADMO COc1cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc(Cl)n1 ZINC001164807173 721532624 /nfs/dbraw/zinc/53/26/24/721532624.db2.gz PWHNHGWRKCFAAW-ABSDTBQOSA-N 1 1 438.906 3.552 20 0 IHADMO COc1cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc(Cl)n1 ZINC001164807173 721532625 /nfs/dbraw/zinc/53/26/25/721532625.db2.gz PWHNHGWRKCFAAW-ABSDTBQOSA-N 1 1 438.906 3.552 20 0 IHADMO O=C(Nc1ccccc1)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906721 721535734 /nfs/dbraw/zinc/53/57/34/721535734.db2.gz LCIJLIMRIGRMQF-GGAORHGYSA-N 1 1 432.499 3.815 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CC[N@H+]3C2)c1 ZINC001164911944 721540006 /nfs/dbraw/zinc/54/00/06/721540006.db2.gz XPLRLEUPOJAHAH-PZJWPPBQSA-N 1 1 430.955 3.812 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)CC[N@H+]3C2)c1 ZINC001164907364 721548312 /nfs/dbraw/zinc/54/83/12/721548312.db2.gz NFAVOVRKWLUPQC-DOTOQJQBSA-N 1 1 449.864 3.704 20 0 IHADMO CC(C)(C)c1noc(-c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)n1 ZINC001164912310 721549168 /nfs/dbraw/zinc/54/91/68/721549168.db2.gz YSGNMMYEZUQMAP-QUCCMNQESA-N 1 1 437.519 3.910 20 0 IHADMO COc1cc2c(cc1Cl)ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164807330 721555878 /nfs/dbraw/zinc/55/58/78/721555878.db2.gz SSBOIFLELHOAHW-JAXLGGSGSA-N 1 1 439.947 3.555 20 0 IHADMO COc1cccc(Oc2cncc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)c1 ZINC001164806283 721568484 /nfs/dbraw/zinc/56/84/84/721568484.db2.gz PQSMQIIYNUINFI-HWBMXIPRSA-N 1 1 447.539 3.541 20 0 IHADMO COc1cccc(Oc2cncc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)c1 ZINC001164806283 721568485 /nfs/dbraw/zinc/56/84/85/721568485.db2.gz PQSMQIIYNUINFI-HWBMXIPRSA-N 1 1 447.539 3.541 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3cccc(F)c3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809869 721571330 /nfs/dbraw/zinc/57/13/30/721571330.db2.gz XRZXBSUJAFRVOH-MQSCRBSSSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3cccc(F)c3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809869 721571333 /nfs/dbraw/zinc/57/13/33/721571333.db2.gz XRZXBSUJAFRVOH-MQSCRBSSSA-N 1 1 435.503 3.671 20 0 IHADMO COC(=O)c1c(Cl)ccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907062 721586181 /nfs/dbraw/zinc/58/61/81/721586181.db2.gz QUBKCGWLAMBKDG-FQEVSTJZSA-N 1 1 436.890 3.654 20 0 IHADMO FC1(F)CCN(c2nc(Cl)nc3cccnc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907922 721693308 /nfs/dbraw/zinc/69/33/08/721693308.db2.gz WOWSNHZTGOEUGJ-FQEVSTJZSA-N 1 1 430.890 3.811 20 0 IHADMO CC1(C)OC(=O)c2c1ccnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904961 721700717 /nfs/dbraw/zinc/70/07/17/721700717.db2.gz INEURPAPDDBUCE-JOCHJYFZSA-N 1 1 428.483 3.620 20 0 IHADMO COC(=O)c1c(C)cc(C)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908460 721702676 /nfs/dbraw/zinc/70/26/76/721702676.db2.gz ZHEIYYUJIRWMFW-QFIPXVFZSA-N 1 1 430.499 3.618 20 0 IHADMO COc1cc2c(cc1F)ncnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906461 721714743 /nfs/dbraw/zinc/71/47/43/721714743.db2.gz MBFJKLDWAHEWQC-QFIPXVFZSA-N 1 1 443.473 3.910 20 0 IHADMO Fc1cccc(-c2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164909774 721728353 /nfs/dbraw/zinc/72/83/53/721728353.db2.gz DPULBDVCFLBMPE-JOCHJYFZSA-N 1 1 440.473 3.810 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](OCC4CC4)[C@@H]4COC[C@@H]43)c2c1C ZINC001165015369 721763307 /nfs/dbraw/zinc/76/33/07/721763307.db2.gz OXEKDKPTWVPIMF-QYZOEREBSA-N 1 1 428.602 3.534 20 0 IHADMO COc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165027164 721804987 /nfs/dbraw/zinc/80/49/87/721804987.db2.gz TZYWMHONVANZDV-RBDMOPTHSA-N 1 1 433.556 3.779 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)C[C@@H]21 ZINC001165023319 721807613 /nfs/dbraw/zinc/80/76/13/721807613.db2.gz JGNJUSYICMOVSN-YZGWKJHDSA-N 1 1 438.576 3.956 20 0 IHADMO CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026022 721814162 /nfs/dbraw/zinc/81/41/62/721814162.db2.gz OVYXBJCFBPJFJJ-DBVUQKKJSA-N 1 1 443.979 3.500 20 0 IHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@@H]5[C@@H]4CCC(=O)N5C)c23)C1 ZINC001164935604 721893273 /nfs/dbraw/zinc/89/32/73/721893273.db2.gz VZNRWGVRGYJCMN-NXHRZFHOSA-N 1 1 439.629 3.611 20 0 IHADMO COc1cc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2c(OC)c1 ZINC001164939387 721927169 /nfs/dbraw/zinc/92/71/69/721927169.db2.gz LFJHPBFVUREEFN-UHFFFAOYSA-N 1 1 448.567 3.827 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)s1 ZINC001164943728 721972006 /nfs/dbraw/zinc/97/20/06/721972006.db2.gz CKTBXBIUCFWWBD-UHFFFAOYSA-N 1 1 441.988 3.624 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)s1 ZINC001164943728 721972009 /nfs/dbraw/zinc/97/20/09/721972009.db2.gz CKTBXBIUCFWWBD-UHFFFAOYSA-N 1 1 441.988 3.624 20 0 IHADMO COc1ccc2c(C)cc(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)[nH+]c2c1 ZINC001164946049 721976166 /nfs/dbraw/zinc/97/61/66/721976166.db2.gz IWVOJIRGGKPVTI-UHFFFAOYSA-N 1 1 430.552 3.523 20 0 IHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164945631 721979522 /nfs/dbraw/zinc/97/95/22/721979522.db2.gz BYQVRPYJGZQDNU-UHFFFAOYSA-N 1 1 437.494 3.538 20 0 IHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164945631 721979523 /nfs/dbraw/zinc/97/95/23/721979523.db2.gz BYQVRPYJGZQDNU-UHFFFAOYSA-N 1 1 437.494 3.538 20 0 IHADMO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164961622 722039889 /nfs/dbraw/zinc/03/98/89/722039889.db2.gz LUTQKKQFJCRZGR-LFUKPOHLSA-N 1 1 435.597 3.627 20 0 IHADMO CCCSc1ncnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1OC ZINC001164964155 722062540 /nfs/dbraw/zinc/06/25/40/722062540.db2.gz FHFGAMCIFIYDAY-UHFFFAOYSA-N 1 1 443.617 3.501 20 0 IHADMO CC(C)CNC(=O)c1nc2c(s1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164964927 722066436 /nfs/dbraw/zinc/06/64/36/722066436.db2.gz FMLPQYMZFKWRHL-UHFFFAOYSA-N 1 1 448.036 3.778 20 0 IHADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967673 722077856 /nfs/dbraw/zinc/07/78/56/722077856.db2.gz IPBCLNDKMXOMPB-HDICACEKSA-N 1 1 448.958 3.553 20 0 IHADMO O=C(NC1CCC1)[C@@H]1C[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164973373 722084699 /nfs/dbraw/zinc/08/46/99/722084699.db2.gz NOYSBJAAHPTGLE-NUNAXRQHSA-N 1 1 430.596 3.771 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164971874 722109306 /nfs/dbraw/zinc/10/93/06/722109306.db2.gz CYMONOMHBXRMTI-AEFFLSMTSA-N 1 1 429.977 3.775 20 0 IHADMO Fc1cc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164978349 722113690 /nfs/dbraw/zinc/11/36/90/722113690.db2.gz OLSVFDMGUYOWPW-MAUKXSAKSA-N 1 1 426.870 3.541 20 0 IHADMO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983291 722129835 /nfs/dbraw/zinc/12/98/35/722129835.db2.gz SXYFWUKLSJIHPV-QPPBQGQZSA-N 1 1 446.551 3.534 20 0 IHADMO c1ccc(CSc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164973338 722151219 /nfs/dbraw/zinc/15/12/19/722151219.db2.gz BTGYXFCQXZILRI-PKTZIBPZSA-N 1 1 447.608 3.891 20 0 IHADMO Fc1ccc2c(Cl)ncnc2c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973340 722157265 /nfs/dbraw/zinc/15/72/65/722157265.db2.gz LXTSLZOCWZSRCM-QFBILLFUSA-N 1 1 427.911 3.545 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC001164991504 722187392 /nfs/dbraw/zinc/18/73/92/722187392.db2.gz PGLOALVZDRBEQL-SIKLNZKXSA-N 1 1 434.005 3.648 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC001164991504 722187393 /nfs/dbraw/zinc/18/73/93/722187393.db2.gz PGLOALVZDRBEQL-SIKLNZKXSA-N 1 1 434.005 3.648 20 0 IHADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995513 722200146 /nfs/dbraw/zinc/20/01/46/722200146.db2.gz NXPKPELBHDHVOC-JOCHJYFZSA-N 1 1 432.927 3.620 20 0 IHADMO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cn2ccc(Br)cc2n1)C(F)(F)F ZINC000685616204 1126106372 /nfs/dbraw/zinc/10/63/72/1126106372.db2.gz CTJWLEWGFZAMEJ-DOTOQJQBSA-N 1 1 428.252 3.721 20 0 IHADMO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cn2cc(Br)ccc2n1)C(F)(F)F ZINC001175686195 1126148829 /nfs/dbraw/zinc/14/88/29/1126148829.db2.gz BUQZLAKMQMBUHD-DOTOQJQBSA-N 1 1 428.252 3.721 20 0 IHADMO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc(Cc2cccc(Br)c2)no1 ZINC001620537585 1126241128 /nfs/dbraw/zinc/24/11/28/1126241128.db2.gz ZFXKQEIQKAXPPK-OAQYLSRUSA-N 1 1 446.345 3.515 20 0 IHADMO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc(Cc2cccc(Br)c2)no1 ZINC001620537584 1126241210 /nfs/dbraw/zinc/24/12/10/1126241210.db2.gz ZFXKQEIQKAXPPK-NRFANRHFSA-N 1 1 446.345 3.515 20 0 IHADMO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nc(Cc2cccc(Br)c2)no1 ZINC001620625366 1126242666 /nfs/dbraw/zinc/24/26/66/1126242666.db2.gz RQSCPUUKYMOTIV-HXUWFJFHSA-N 1 1 434.309 3.645 20 0 IHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5OCC(F)(F)[C@H]5C3)n2)CCC4)CC1 ZINC001164424395 718928550 /nfs/dbraw/zinc/92/85/50/718928550.db2.gz NHKOUDSCNFCAJP-HOTGVXAUSA-N 1 1 434.556 3.882 20 0 IHADMO CCOC(=O)[C@]12C[C@H]1CCN2c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164622995 719041417 /nfs/dbraw/zinc/04/14/17/719041417.db2.gz LIPALHADDXVUPM-GYCJOSAFSA-N 1 1 440.613 3.944 20 0 IHADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624943 719083425 /nfs/dbraw/zinc/08/34/25/719083425.db2.gz MBXNIYTUALUDDL-ROUUACIJSA-N 1 1 448.398 3.721 20 0 IHADMO O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001164621205 719128098 /nfs/dbraw/zinc/12/80/98/719128098.db2.gz LUUVMLHLGUREMV-UHFFFAOYSA-N 1 1 440.551 3.932 20 0 IHADMO O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001164621205 719128107 /nfs/dbraw/zinc/12/81/07/719128107.db2.gz LUUVMLHLGUREMV-UHFFFAOYSA-N 1 1 440.551 3.932 20 0 IHADMO Cc1ccc(-c2nc3c(ncnc3N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)o2)cc1 ZINC001164652145 719315432 /nfs/dbraw/zinc/31/54/32/719315432.db2.gz OITRXKQUCPWUJI-UHFFFAOYSA-N 1 1 431.544 3.995 20 0 IHADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(NC3CC3)cc[nH+]1)CC2 ZINC001164661293 719344718 /nfs/dbraw/zinc/34/47/18/719344718.db2.gz KIBBWDHQSPBCLT-UHFFFAOYSA-N 1 1 429.572 3.746 20 0 IHADMO C[N@H+]1CCO[C@@H]2CN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)C[C@@H]21 ZINC001164675061 719436734 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438.355 3.774 20 0 IHADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1OCC ZINC001164695336 719892056 /nfs/dbraw/zinc/89/20/56/719892056.db2.gz OKOSWEFQMKRGGB-UHFFFAOYSA-N 1 1 445.585 3.590 20 0 IHADMO COc1cc2c(cc1F)ncnc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696677 719895049 /nfs/dbraw/zinc/89/50/49/719895049.db2.gz HCMNPZSWYLRJRX-UHFFFAOYSA-N 1 1 428.533 3.710 20 0 IHADMO COC(=O)c1cc2ccccc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707903 719899440 /nfs/dbraw/zinc/89/94/40/719899440.db2.gz YSLKHJGNMRBFLM-UHFFFAOYSA-N 1 1 437.565 3.954 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3nc[nH]c31)CC2 ZINC001164719101 720115179 /nfs/dbraw/zinc/11/51/79/720115179.db2.gz WBBNRIWLSOCNJX-QGZVFWFLSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3[nH]cnc31)CC2 ZINC001164719101 720115184 /nfs/dbraw/zinc/11/51/84/720115184.db2.gz WBBNRIWLSOCNJX-QGZVFWFLSA-N 1 1 426.952 3.514 20 0 IHADMO 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Cc1nc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164757457 720891043 /nfs/dbraw/zinc/89/10/43/720891043.db2.gz UZQKPJVFSRAGDN-XUZZJYLKSA-N 1 1 442.007 3.897 20 0 IHADMO COc1ccc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754902 720891346 /nfs/dbraw/zinc/89/13/46/720891346.db2.gz JMKBKENSROTPFJ-HYBUGGRVSA-N 1 1 442.991 3.894 20 0 IHADMO CCCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)n1 ZINC001164756852 720897087 /nfs/dbraw/zinc/89/70/87/720897087.db2.gz RQJAXMKQFKKOTB-JYFHCDHNSA-N 1 1 435.616 3.888 20 0 IHADMO CC(C)(C)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164755177 720913142 /nfs/dbraw/zinc/91/31/42/720913142.db2.gz ZHVHHUQFWSBANJ-ATIYNZHBSA-N 1 1 435.616 3.924 20 0 IHADMO CCOC(=O)c1sc2ncnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164863182 720920649 /nfs/dbraw/zinc/92/06/49/720920649.db2.gz XIDPJXLSDMAEQR-OAHLLOKOSA-N 1 1 442.589 3.794 20 0 IHADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C2CC2)n1 ZINC001164748071 720920769 /nfs/dbraw/zinc/92/07/69/720920769.db2.gz FOCHMTNDFDUTTA-BVAGGSTKSA-N 1 1 433.600 3.813 20 0 IHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nccnc2OC2CCC2)C3)c1 ZINC001164753801 720929406 /nfs/dbraw/zinc/92/94/06/720929406.db2.gz TUUNJZIQUUEBQN-GJZUVCINSA-N 1 1 449.599 3.558 20 0 IHADMO COC(=O)c1ccc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c(Cl)n1 ZINC001164863224 720954769 /nfs/dbraw/zinc/95/47/69/720954769.db2.gz YXLYNNXTZAONNA-CYBMUJFWSA-N 1 1 441.910 3.684 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3c1ncn3Cc1ccccc1F)[C@@H]2C ZINC001164861819 720975405 /nfs/dbraw/zinc/97/54/05/720975405.db2.gz QRPYUSFXOKIXPI-QGZVFWFLSA-N 1 1 448.550 3.632 20 0 IHADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164862523 720982645 /nfs/dbraw/zinc/98/26/45/720982645.db2.gz SVYPKTRZZQWMRO-GOSISDBHSA-N 1 1 449.603 3.634 20 0 IHADMO FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871516 721052100 /nfs/dbraw/zinc/05/21/00/721052100.db2.gz ZLNMOSHFLYNZAG-DLBZAZTESA-N 1 1 445.901 3.703 20 0 IHADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869926 721062319 /nfs/dbraw/zinc/06/23/19/721062319.db2.gz UNLCGDQYSXYVRY-ROUUACIJSA-N 1 1 445.901 3.703 20 0 IHADMO Clc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(Cc2ccccc2)n1 ZINC001164865601 721076725 /nfs/dbraw/zinc/07/67/25/721076725.db2.gz NJICIBZFEBJKBZ-SFTDATJTSA-N 1 1 435.959 3.596 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)C[C@H]3C2)cn1 ZINC001164771599 721082015 /nfs/dbraw/zinc/08/20/15/721082015.db2.gz SGGNPMPLCOWENM-HZPDHXFCSA-N 1 1 432.906 3.520 20 0 IHADMO Cc1cccc(Sc2cncc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164876517 721124656 /nfs/dbraw/zinc/12/46/56/721124656.db2.gz MYUFBXPYZYPNGO-NHCUHLMSSA-N 1 1 433.581 3.811 20 0 IHADMO Fc1ccc(-c2nc(Cl)cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164881096 721158526 /nfs/dbraw/zinc/15/85/26/721158526.db2.gz ZASNMXSUKKBVHO-PMACEKPBSA-N 1 1 439.922 3.811 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001164764959 721159777 /nfs/dbraw/zinc/15/97/77/721159777.db2.gz INAPEIFDCZOEHG-HZPDHXFCSA-N 1 1 432.906 3.520 20 0 IHADMO c1ccc(CSc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164871572 721172912 /nfs/dbraw/zinc/17/29/12/721172912.db2.gz FLNCYUPSKUKEQV-YADHBBJMSA-N 1 1 433.581 3.644 20 0 IHADMO c1ccc(SCc2nccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164870975 721183619 /nfs/dbraw/zinc/18/36/19/721183619.db2.gz CTYWMZFSHKBOOD-NHCUHLMSSA-N 1 1 433.581 3.644 20 0 IHADMO CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164770865 721186250 /nfs/dbraw/zinc/18/62/50/721186250.db2.gz OYVVKKFGVRWNEZ-LSDHHAIUSA-N 1 1 427.952 3.694 20 0 IHADMO Clc1ccc2c(Cl)ncnc2c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871375 721191035 /nfs/dbraw/zinc/19/10/35/721191035.db2.gz YSXXXXXBTCTUNN-HOTGVXAUSA-N 1 1 430.339 3.811 20 0 IHADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871381 721196876 /nfs/dbraw/zinc/19/68/76/721196876.db2.gz YVUUBVXTSZTSEF-MSOLQXFVSA-N 1 1 442.922 3.911 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3cncn3C[C@H](COc3cccnc3)C2)nc1 ZINC001164770677 721276713 /nfs/dbraw/zinc/27/67/13/721276713.db2.gz WQRHLNPILRNXMF-YKSBVNFPSA-N 1 1 432.572 3.935 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4ccsc43)C2)C1 ZINC001164776307 721331864 /nfs/dbraw/zinc/33/18/64/721331864.db2.gz DOQJCYREWWHXLS-QFIPXVFZSA-N 1 1 427.574 3.724 20 0 IHADMO Cc1csc2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164778456 721331893 /nfs/dbraw/zinc/33/18/93/721331893.db2.gz XCZOUGJISBQLDE-JOCHJYFZSA-N 1 1 427.574 3.724 20 0 IHADMO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164780059 721343914 /nfs/dbraw/zinc/34/39/14/721343914.db2.gz ZFZNTEUWSMWPRR-JOCHJYFZSA-N 1 1 444.967 3.644 20 0 IHADMO CCOc1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780097 721348342 /nfs/dbraw/zinc/34/83/42/721348342.db2.gz ZPWZFZOZVXMTOA-QFIPXVFZSA-N 1 1 434.968 3.858 20 0 IHADMO CCOc1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164780097 721348347 /nfs/dbraw/zinc/34/83/47/721348347.db2.gz ZPWZFZOZVXMTOA-QFIPXVFZSA-N 1 1 434.968 3.858 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C4CC4)nc4[nH]ccc43)C2)C1 ZINC001164786126 721374802 /nfs/dbraw/zinc/37/48/02/721374802.db2.gz SQQOQICXSSTIQF-XMMPIXPASA-N 1 1 436.560 3.559 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccnc(Cl)c4Cl)C3)O2)CC1 ZINC001164886290 721387867 /nfs/dbraw/zinc/38/78/67/721387867.db2.gz DZBBQKWKKHBLDW-DNVCBOLYSA-N 1 1 449.373 3.699 20 0 IHADMO COc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c2cc(Cl)ccc12 ZINC001164887694 721412309 /nfs/dbraw/zinc/41/23/09/721412309.db2.gz MJTPGRRSEDWHNL-CYFREDJKSA-N 1 1 445.007 3.662 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ncc4-c4ccccc4)C3)O2)CC1 ZINC001164893011 721413768 /nfs/dbraw/zinc/41/37/68/721413768.db2.gz ZVKOTZAHXBKDFK-YKSBVNFPSA-N 1 1 442.007 3.562 20 0 IHADMO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164883671 721418965 /nfs/dbraw/zinc/41/89/65/721418965.db2.gz BSINWECGXPBPIL-YADARESESA-N 1 1 429.008 3.962 20 0 IHADMO COc1ccc2c(cc(Cl)nc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164887759 721423974 /nfs/dbraw/zinc/42/39/74/721423974.db2.gz NJHOYRVDAZAWDX-HYBUGGRVSA-N 1 1 445.007 3.662 20 0 IHADMO c1csc(-c2noc(-c3ccnc(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)c3)n2)c1 ZINC001164784621 721432080 /nfs/dbraw/zinc/43/20/80/721432080.db2.gz LKCKPFGUIPSGSQ-IYBDPMFKSA-N 1 1 436.566 3.885 20 0 IHADMO c1csc(-c2noc(-c3ccnc(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)c3)n2)c1 ZINC001164784621 721432083 /nfs/dbraw/zinc/43/20/83/721432083.db2.gz LKCKPFGUIPSGSQ-IYBDPMFKSA-N 1 1 436.566 3.885 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C(C)(C)C)nc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164892340 721432472 /nfs/dbraw/zinc/43/24/72/721432472.db2.gz IELJWKUQDGFKHM-IBVKSMDESA-N 1 1 443.680 3.837 20 0 IHADMO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164791098 721437770 /nfs/dbraw/zinc/43/77/70/721437770.db2.gz ZNYXFEGNKOZHQS-HUUCEWRRSA-N 1 1 443.960 3.956 20 0 IHADMO Clc1nnc(Cl)c(N2CCCCC2)c1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164781439 721439607 /nfs/dbraw/zinc/43/96/07/721439607.db2.gz FWRKREKDYJIHQX-KBPBESRZSA-N 1 1 439.416 3.798 20 0 IHADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164894916 721446292 /nfs/dbraw/zinc/44/62/92/721446292.db2.gz NGKLVZMZHCKOGZ-GEQKSPFYSA-N 1 1 436.044 3.717 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(OC(C)(C)C)n1)CC2 ZINC001164784332 721461830 /nfs/dbraw/zinc/46/18/30/721461830.db2.gz HJAZIFDKRDAPPP-OAQYLSRUSA-N 1 1 431.621 3.993 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc(C)o3)nn1)CC2 ZINC001164788083 721469152 /nfs/dbraw/zinc/46/91/52/721469152.db2.gz IDEDTPIBLYLPKB-OAQYLSRUSA-N 1 1 440.588 3.779 20 0 IHADMO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792971 721496190 /nfs/dbraw/zinc/49/61/90/721496190.db2.gz WQRVGXBGXOAQME-UHFFFAOYSA-N 1 1 443.979 3.644 20 0 IHADMO COC(=O)c1cc2ccncc2nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793023 721496825 /nfs/dbraw/zinc/49/68/25/721496825.db2.gz ZLQDLGFMTHKYEG-UHFFFAOYSA-N 1 1 431.540 3.692 20 0 IHADMO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795451 721499351 /nfs/dbraw/zinc/49/93/51/721499351.db2.gz HKSNKBCJOQWTEL-UHFFFAOYSA-N 1 1 429.952 3.583 20 0 IHADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795276 721503813 /nfs/dbraw/zinc/50/38/13/721503813.db2.gz JFYLFSKAFIEPHA-MRXNPFEDSA-N 1 1 443.979 3.683 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC[N@H+]3C2)c1 ZINC001164897172 721512981 /nfs/dbraw/zinc/51/29/81/721512981.db2.gz DWPONMGKLPGUGO-OCCSQVGLSA-N 1 1 433.261 3.809 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccnc4C4SCCCS4)CC[N@H+]3C2)c1 ZINC001164901039 721525423 /nfs/dbraw/zinc/52/54/23/721525423.db2.gz WDQNNLYGJRGUND-FUHWJXTLSA-N 1 1 432.590 3.826 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(F)c(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164811160 721533603 /nfs/dbraw/zinc/53/36/03/721533603.db2.gz YYNHGYDGJQFUBR-NUJGCVRESA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(F)c(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164811160 721533607 /nfs/dbraw/zinc/53/36/07/721533607.db2.gz YYNHGYDGJQFUBR-NUJGCVRESA-N 1 1 426.870 3.682 20 0 IHADMO O=C(Nc1ccccc1)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906717 721535587 /nfs/dbraw/zinc/53/55/87/721535587.db2.gz LCIJLIMRIGRMQF-FYYLOGMGSA-N 1 1 432.499 3.815 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4ccn5Cc4ccccc4)CC[N@H+]3C2)c1 ZINC001164902533 721538675 /nfs/dbraw/zinc/53/86/75/721538675.db2.gz AFHUVPGZDASEFY-GMAHTHKFSA-N 1 1 443.526 3.961 20 0 IHADMO COc1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164904712 721539771 /nfs/dbraw/zinc/53/97/71/721539771.db2.gz GBCFYCIQPPVDTJ-GDBMZVCRSA-N 1 1 427.854 3.770 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)CC[N@H+]3C2)c1 ZINC001164911510 721542336 /nfs/dbraw/zinc/54/23/36/721542336.db2.gz XCCXSEAAWNQSPJ-GOEBONIOSA-N 1 1 449.864 3.704 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(F)c32)[C@@H]2CCCO[C@H]12 ZINC001164807777 721544980 /nfs/dbraw/zinc/54/49/80/721544980.db2.gz RGBKKEIPFMCZPT-GGPKGHCWSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(F)c32)[C@@H]2CCCO[C@H]12 ZINC001164807777 721544981 /nfs/dbraw/zinc/54/49/81/721544981.db2.gz RGBKKEIPFMCZPT-GGPKGHCWSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCCCC3)[C@@H]2CCCO[C@H]12 ZINC001164805071 721550711 /nfs/dbraw/zinc/55/07/11/721550711.db2.gz KSHQBOVFGKYIKP-NJYVYQBISA-N 1 1 427.980 3.662 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C[C@@H]4C(=O)N(C)C)CC3)c2c1C ZINC001164905433 721570380 /nfs/dbraw/zinc/57/03/80/721570380.db2.gz ZMCAREUWTPYSSI-GOSISDBHSA-N 1 1 441.645 3.989 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(C(C)(C)C)no3)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164799709 721571996 /nfs/dbraw/zinc/57/19/96/721571996.db2.gz DGHVLGYAKQYWCG-KCZVDYSFSA-N 1 1 448.571 3.692 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808601 721576988 /nfs/dbraw/zinc/57/69/88/721576988.db2.gz VEJOPTLOTOJTQL-GBESFXJTSA-N 1 1 429.996 3.999 20 0 IHADMO CCOC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164903290 721583550 /nfs/dbraw/zinc/58/35/50/721583550.db2.gz KVYKSEMNAHJXPH-JOCHJYFZSA-N 1 1 430.499 3.699 20 0 IHADMO COc1nc2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905419 721694635 /nfs/dbraw/zinc/69/46/35/721694635.db2.gz JBYHUCMDJNPIKC-QFIPXVFZSA-N 1 1 425.483 3.771 20 0 IHADMO COc1ccc2c(c1)ncnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908544 721704327 /nfs/dbraw/zinc/70/43/27/721704327.db2.gz XSPHRIYYLDHBCB-QFIPXVFZSA-N 1 1 425.483 3.771 20 0 IHADMO COc1cccc2cnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164906174 721706469 /nfs/dbraw/zinc/70/64/69/721706469.db2.gz KLKQSRMAYSBRTM-QFIPXVFZSA-N 1 1 425.483 3.771 20 0 IHADMO Nc1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907329 721706950 /nfs/dbraw/zinc/70/69/50/721706950.db2.gz QYNZFYHFJSPJFQ-SFHVURJKSA-N 1 1 443.876 3.995 20 0 IHADMO Cc1noc(-c2cccnc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164913963 721725710 /nfs/dbraw/zinc/72/57/10/721725710.db2.gz ZRYZITVLWWHDBC-NRFANRHFSA-N 1 1 426.471 3.573 20 0 IHADMO COCc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(SC)n1 ZINC001164911737 721753399 /nfs/dbraw/zinc/75/33/99/721753399.db2.gz YHMCLLBBTFXLGJ-UHFFFAOYSA-N 1 1 425.558 3.528 20 0 IHADMO COCc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(SC)n1 ZINC001164911737 721753403 /nfs/dbraw/zinc/75/34/03/721753403.db2.gz YHMCLLBBTFXLGJ-UHFFFAOYSA-N 1 1 425.558 3.528 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001164910073 721758281 /nfs/dbraw/zinc/75/82/81/721758281.db2.gz KVIPWXDGXTVGIM-UHFFFAOYSA-N 1 1 433.556 3.793 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001164910073 721758283 /nfs/dbraw/zinc/75/82/83/721758283.db2.gz KVIPWXDGXTVGIM-UHFFFAOYSA-N 1 1 433.556 3.793 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)nc1 ZINC001165021764 721782501 /nfs/dbraw/zinc/78/25/01/721782501.db2.gz PKASFGICLMDLHR-QENXHYHDSA-N 1 1 439.604 3.668 20 0 IHADMO CCOC(=O)c1cnc(SC)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026914 721800403 /nfs/dbraw/zinc/80/04/03/721800403.db2.gz SIJDEKKHWDCRCV-PWIZWCRZSA-N 1 1 441.601 3.507 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)n1 ZINC001164915498 721810017 /nfs/dbraw/zinc/81/00/17/721810017.db2.gz BIQBUJOEVIKGST-BBTUJRGHSA-N 1 1 449.020 3.988 20 0 IHADMO CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026030 721813952 /nfs/dbraw/zinc/81/39/52/721813952.db2.gz OVYXBJCFBPJFJJ-FFZOFVMBSA-N 1 1 443.979 3.500 20 0 IHADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]c-2n1 ZINC001165021660 721818696 /nfs/dbraw/zinc/81/86/96/721818696.db2.gz FUJMDRBWVPEEQT-DWLFOUALSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2[nH]1 ZINC001165021660 721818697 /nfs/dbraw/zinc/81/86/97/721818697.db2.gz FUJMDRBWVPEEQT-DWLFOUALSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2[nH]1 ZINC001165021660 721818699 /nfs/dbraw/zinc/81/86/99/721818699.db2.gz FUJMDRBWVPEEQT-DWLFOUALSA-N 1 1 433.556 3.872 20 0 IHADMO COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028200 721821102 /nfs/dbraw/zinc/82/11/02/721821102.db2.gz UVSQJMAYGWEYNN-LESCRADOSA-N 1 1 437.922 3.815 20 0 IHADMO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)no1 ZINC001165024631 721823072 /nfs/dbraw/zinc/82/30/72/721823072.db2.gz KUTMOACAFDGEOD-VLCRHTCISA-N 1 1 446.555 3.762 20 0 IHADMO COC(=O)c1cc(Cl)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C ZINC001165020695 721830205 /nfs/dbraw/zinc/83/02/05/721830205.db2.gz DFGDGTHQGOHEAL-SCWSEQNSSA-N 1 1 428.964 3.962 20 0 IHADMO COc1cc(OC)c2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165022165 721831241 /nfs/dbraw/zinc/83/12/41/721831241.db2.gz GMHYZGSCSHXMLD-HSQYWUDLSA-N 1 1 433.556 3.779 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164922215 721836898 /nfs/dbraw/zinc/83/68/98/721836898.db2.gz GEVOPJFWTIXSSU-SGIRGMQISA-N 1 1 436.604 3.683 20 0 IHADMO CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940584 721922616 /nfs/dbraw/zinc/92/26/16/721922616.db2.gz UJPMIGNZXGJPJC-UHFFFAOYSA-N 1 1 427.520 3.577 20 0 IHADMO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@H]21 ZINC001164950962 721958182 /nfs/dbraw/zinc/95/81/82/721958182.db2.gz YNRWHEHQKPPKBG-DHIUTWEWSA-N 1 1 433.556 3.529 20 0 IHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(C4)OCCO5)c23)C1 ZINC001165047856 721985312 /nfs/dbraw/zinc/98/53/12/721985312.db2.gz RUVGAYMIDVVVBT-MRXNPFEDSA-N 1 1 428.602 3.755 20 0 IHADMO Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]21 ZINC001164953193 722005511 /nfs/dbraw/zinc/00/55/11/722005511.db2.gz QBTGAJJFYKHCOA-KNQAVFIVSA-N 1 1 429.568 3.731 20 0 IHADMO Fc1cc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cnc1Cl ZINC001164963833 722055171 /nfs/dbraw/zinc/05/51/71/722055171.db2.gz NAZOAAWXUQDFJR-UHFFFAOYSA-N 1 1 440.897 3.933 20 0 IHADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966796 722072678 /nfs/dbraw/zinc/07/26/78/722072678.db2.gz CSLBVIYNADPZRM-OKILXGFUSA-N 1 1 429.298 3.781 20 0 IHADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966796 722072679 /nfs/dbraw/zinc/07/26/79/722072679.db2.gz CSLBVIYNADPZRM-OKILXGFUSA-N 1 1 429.298 3.781 20 0 IHADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)cc1 ZINC001164967395 722077825 /nfs/dbraw/zinc/07/78/25/722077825.db2.gz DMEZIRQXVOVCPZ-HDICACEKSA-N 1 1 434.918 3.950 20 0 IHADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)cc1 ZINC001164967395 722077827 /nfs/dbraw/zinc/07/78/27/722077827.db2.gz DMEZIRQXVOVCPZ-HDICACEKSA-N 1 1 434.918 3.950 20 0 IHADMO Fc1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981658 722103560 /nfs/dbraw/zinc/10/35/60/722103560.db2.gz LUTLSHCEIPORJU-OXQOHEQNSA-N 1 1 427.911 3.545 20 0 IHADMO Clc1cc(-c2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)ccn1 ZINC001164986563 722107161 /nfs/dbraw/zinc/10/71/61/722107161.db2.gz ZHJGNTFBTZTLPW-VXKWHMMOSA-N 1 1 435.959 3.919 20 0 IHADMO Clc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cc2ccccc2)n1 ZINC001164978322 722111320 /nfs/dbraw/zinc/11/13/20/722111320.db2.gz OKNKCYJZTPUXSX-YADHBBJMSA-N 1 1 449.986 3.843 20 0 IHADMO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974083 722115884 /nfs/dbraw/zinc/11/58/84/722115884.db2.gz ILADKVDEGPLJTI-NVXWUHKLSA-N 1 1 426.870 3.541 20 0 IHADMO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972423 722116465 /nfs/dbraw/zinc/11/64/65/722116465.db2.gz FEOQEWWLGSNNIM-CRAIPNDOSA-N 1 1 426.870 3.541 20 0 IHADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982707 722118145 /nfs/dbraw/zinc/11/81/45/722118145.db2.gz XTXKIHDWTCDHAA-LPHOPBHVSA-N 1 1 447.917 3.884 20 0 IHADMO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981086 722119857 /nfs/dbraw/zinc/11/98/57/722119857.db2.gz SLJWIZJZMAPGKC-IFMALSPDSA-N 1 1 435.959 3.919 20 0 IHADMO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981087 722120122 /nfs/dbraw/zinc/12/01/22/722120122.db2.gz SLJWIZJZMAPGKC-IRLDBZIGSA-N 1 1 435.959 3.919 20 0 IHADMO Clc1cc(Cc2ccccc2)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982827 722133273 /nfs/dbraw/zinc/13/32/73/722133273.db2.gz SURPYVROJGEIQY-GMAHTHKFSA-N 1 1 449.986 3.843 20 0 IHADMO c1ccc(CSc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164973334 722150915 /nfs/dbraw/zinc/15/09/15/722150915.db2.gz BTGYXFCQXZILRI-GOTSBHOMSA-N 1 1 447.608 3.891 20 0 IHADMO O=C1NCCc2[nH]c(-c3ccnc(N4CCC[C@]5(CC[N@@H+]5Cc5cccc(F)c5)C4)c3)cc21 ZINC001164994733 722198963 /nfs/dbraw/zinc/19/89/63/722198963.db2.gz PMLGQYXTGJTSMJ-SANMLTNESA-N 1 1 445.542 3.747 20 0 IHADMO CC(C)N1Cc2c(nc(Cl)nc2N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)C1=O ZINC001164996353 722206458 /nfs/dbraw/zinc/20/64/58/722206458.db2.gz UHXRYHXVCDKHGT-QHCPKHFHSA-N 1 1 443.954 3.878 20 0 IHADMO COC(=O)c1c(Cl)cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1OC ZINC001164993785 722206654 /nfs/dbraw/zinc/20/66/54/722206654.db2.gz BLWABBUOGZODPH-JOCHJYFZSA-N 1 1 433.911 3.914 20 0 IHADMO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC001198220104 1126155345 /nfs/dbraw/zinc/15/53/45/1126155345.db2.gz XJNHOOMHDNXZHL-LJQANCHMSA-N 1 1 438.272 3.861 20 0 IHADMO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC001473838529 1126199365 /nfs/dbraw/zinc/19/93/65/1126199365.db2.gz GWEDPCGVPQATMX-KRWDZBQOSA-N 1 1 426.311 3.783 20 0 IHADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000508368884 719236787 /nfs/dbraw/zinc/23/67/87/719236787.db2.gz CXZLZKHPHILPGH-QZTJIDSGSA-N 1 1 437.613 3.719 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164649745 719305650 /nfs/dbraw/zinc/30/56/50/719305650.db2.gz XPDOHRVDCCWERL-OUMCCJGNSA-N 1 1 426.605 3.625 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1Cl ZINC001164646825 719309069 /nfs/dbraw/zinc/30/90/69/719309069.db2.gz ILEQWHNKDDZGSQ-UHFFFAOYSA-N 1 1 440.375 3.967 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164652939 719315887 /nfs/dbraw/zinc/31/58/87/719315887.db2.gz UYZRQUISMQLQIX-UHFFFAOYSA-N 1 1 433.556 3.840 20 0 IHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@H]4[C@@H](OCC5CCCC5)CC[C@@H]43)C2)cc1 ZINC001164662768 719343079 /nfs/dbraw/zinc/34/30/79/719343079.db2.gz RXAMWLSLWILFBC-GSDHBNRESA-N 1 1 448.611 3.978 20 0 IHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@H]4[C@@H](OCC5CCCC5)CC[C@@H]43)C2)cc1 ZINC001164662768 719343081 /nfs/dbraw/zinc/34/30/81/719343081.db2.gz RXAMWLSLWILFBC-GSDHBNRESA-N 1 1 448.611 3.978 20 0 IHADMO CC(C)N(c1ccc2c(n1)CCN(Cc1ccccc1)C2)c1ncnc2c1CC[NH2+]CC2 ZINC001164662114 719344899 /nfs/dbraw/zinc/34/48/99/719344899.db2.gz NHXYKYSMBKICBV-UHFFFAOYSA-N 1 1 428.584 3.665 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)nc1 ZINC001164684799 719600353 /nfs/dbraw/zinc/60/03/53/719600353.db2.gz JYVSMKBEKVUNJA-REWPJTCUSA-N 1 1 432.572 3.940 20 0 IHADMO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693791 719807848 /nfs/dbraw/zinc/80/78/48/719807848.db2.gz RGQMPVSYZVQAOG-UHFFFAOYSA-N 1 1 435.981 3.707 20 0 IHADMO c1csc(C[N@H+]2CCOC3(CCN(c4cncc(N5CCCCCC5)n4)CC3)C2)c1 ZINC001164706320 719900249 /nfs/dbraw/zinc/90/02/49/719900249.db2.gz HUFABXKNIMYFHP-UHFFFAOYSA-N 1 1 427.618 3.790 20 0 IHADMO CCOc1cc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c2cc1OCC ZINC001164814936 720118145 /nfs/dbraw/zinc/11/81/45/720118145.db2.gz UOYHYGACYFPCKS-UQBPGWFLSA-N 1 1 440.588 3.612 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C3CC3)n1)CC2 ZINC001164716983 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440.979 3.585 20 0 IHADMO O=C1CCCC2(CCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC2)N1 ZINC001164836115 720733500 /nfs/dbraw/zinc/73/35/00/720733500.db2.gz AJJLETCGPNIJLU-UHFFFAOYSA-N 1 1 439.629 3.805 20 0 IHADMO CC[C@H]1N(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CCC[C@]12CCC(=O)N2 ZINC001164846216 720755111 /nfs/dbraw/zinc/75/51/11/720755111.db2.gz IGTWWQKUPCRASR-HXOBKFHXSA-N 1 1 427.618 3.932 20 0 IHADMO Fc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164745255 720756832 /nfs/dbraw/zinc/75/68/32/720756832.db2.gz UJLUQCXINDVLSO-QZTJIDSGSA-N 1 1 448.527 3.629 20 0 IHADMO CC(C)c1cc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164745531 720809332 /nfs/dbraw/zinc/80/93/32/720809332.db2.gz KTEGHODLBHDHKW-CMKODMSKSA-N 1 1 437.617 3.786 20 0 IHADMO Clc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2sccc2n1 ZINC001164739210 720822605 /nfs/dbraw/zinc/82/26/05/720822605.db2.gz HSMGMMDEHAFNRC-JFIYKMOQSA-N 1 1 428.993 3.921 20 0 IHADMO 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FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871522 721051480 /nfs/dbraw/zinc/05/14/80/721051480.db2.gz ZLNMOSHFLYNZAG-IRXDYDNUSA-N 1 1 445.901 3.703 20 0 IHADMO Clc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(Cc2ccccc2)n1 ZINC001164865598 721076913 /nfs/dbraw/zinc/07/69/13/721076913.db2.gz NJICIBZFEBJKBZ-LEWJYISDSA-N 1 1 435.959 3.596 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164774114 721093500 /nfs/dbraw/zinc/09/35/00/721093500.db2.gz YVLBIWIMENVDRA-JKSUJKDBSA-N 1 1 432.906 3.520 20 0 IHADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164873652 721124805 /nfs/dbraw/zinc/12/48/05/721124805.db2.gz JUSRXNPEVMIITQ-IAGOWNOFSA-N 1 1 433.890 3.636 20 0 IHADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880323 721132716 /nfs/dbraw/zinc/13/27/16/721132716.db2.gz VWBZLYHESDFLIN-ROUUACIJSA-N 1 1 426.952 3.540 20 0 IHADMO Fc1ccc(-c2nc(Cl)cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164881101 721158958 /nfs/dbraw/zinc/15/89/58/721158958.db2.gz ZASNMXSUKKBVHO-WOJBJXKFSA-N 1 1 439.922 3.811 20 0 IHADMO c1ccc(CSc2cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ncn2)cc1 ZINC001164871553 721168220 /nfs/dbraw/zinc/16/82/20/721168220.db2.gz FGRSZTUIXAKXNV-FCHUYYIVSA-N 1 1 433.581 3.644 20 0 IHADMO CC(C)(C)OC(=O)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164880700 721178735 /nfs/dbraw/zinc/17/87/35/721178735.db2.gz XDDIXDXBOLVCDU-RBUKOAKNSA-N 1 1 444.963 3.565 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C[C@H]3C2)cn1 ZINC001164772375 721196936 /nfs/dbraw/zinc/19/69/36/721196936.db2.gz UGCJOZVCZWHTRG-IAGOWNOFSA-N 1 1 442.926 3.753 20 0 IHADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001164764670 721238058 /nfs/dbraw/zinc/23/80/58/721238058.db2.gz PKADUFNFRGINIK-MOPGFXCFSA-N 1 1 438.963 3.923 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccccc4F)C[C@@H]3C2)cn1 ZINC001164760330 721238460 /nfs/dbraw/zinc/23/84/60/721238460.db2.gz DKRSURYFOFWKCG-SJORKVTESA-N 1 1 442.926 3.753 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164767982 721240532 /nfs/dbraw/zinc/24/05/32/721240532.db2.gz XITAEJDYVSUWMV-DLBZAZTESA-N 1 1 442.926 3.753 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164763285 721240634 /nfs/dbraw/zinc/24/06/34/721240634.db2.gz NDYPMLJZLYKKDO-KBPBESRZSA-N 1 1 432.302 3.505 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4c3CCC4)C2)C1 ZINC001164779049 721342588 /nfs/dbraw/zinc/34/25/88/721342588.db2.gz POAGXYCIZRABLS-QHCPKHFHSA-N 1 1 430.980 3.948 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164780089 721342942 /nfs/dbraw/zinc/34/29/42/721342942.db2.gz ZMODAPHRDDIHHK-RTWAWAEBSA-N 1 1 438.931 3.586 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164780089 721342946 /nfs/dbraw/zinc/34/29/46/721342946.db2.gz ZMODAPHRDDIHHK-RTWAWAEBSA-N 1 1 438.931 3.586 20 0 IHADMO CCc1cc2c(ncnc2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)s1 ZINC001164777352 721349532 /nfs/dbraw/zinc/34/95/32/721349532.db2.gz GLCURZCBXBOKIW-HSZRJFAPSA-N 1 1 441.601 3.978 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccncc4)cn3)C2)C1 ZINC001164787807 721365906 /nfs/dbraw/zinc/36/59/06/721365906.db2.gz ZYZKAGFITNVGEN-VWLOTQADSA-N 1 1 433.556 3.867 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5cc(F)ccc54)C3)O2)CC1 ZINC001164891863 721379621 /nfs/dbraw/zinc/37/96/21/721379621.db2.gz QZMNJPFRGPQCKJ-CVDCTZTESA-N 1 1 432.971 3.793 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)cc(Cl)nc4Cl)C3)O2)CC1 ZINC001164889189 721396255 /nfs/dbraw/zinc/39/62/55/721396255.db2.gz KQPRPFGTFRAUPN-LIRRHRJNSA-N 1 1 433.811 3.807 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164893621 721397666 /nfs/dbraw/zinc/39/76/66/721397666.db2.gz WFCWJTJQXDVOMW-JPYJTQIMSA-N 1 1 432.971 3.793 20 0 IHADMO Cc1ccc2nc(Cl)cc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164886161 721401541 /nfs/dbraw/zinc/40/15/41/721401541.db2.gz HVKNIYWPWXZKTD-NTKDMRAZSA-N 1 1 429.008 3.962 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C(C)(C)C)nc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164892341 721432695 /nfs/dbraw/zinc/43/26/95/721432695.db2.gz IELJWKUQDGFKHM-RXFWQSSRSA-N 1 1 443.680 3.837 20 0 IHADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164788908 721437606 /nfs/dbraw/zinc/43/76/06/721437606.db2.gz UESZFGUKZQDNRY-HUUCEWRRSA-N 1 1 443.960 3.956 20 0 IHADMO CC(C)c1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc(C(C)(C)C)n1 ZINC001164894868 721441212 /nfs/dbraw/zinc/44/12/12/721441212.db2.gz MTAMQYJBSLLIQG-NLFFAJNJSA-N 1 1 429.653 3.663 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(Cl)ccc(F)c5n4)C3)O2)CC1 ZINC001164890223 721447120 /nfs/dbraw/zinc/44/71/20/721447120.db2.gz CKWACLTWENCSPF-UZUQRXQVSA-N 1 1 432.971 3.793 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C5CCCCC5)n4)C3)O2)CC1 ZINC001164887765 721448248 /nfs/dbraw/zinc/44/82/48/721448248.db2.gz JYYDOKYNVDFKES-YKSBVNFPSA-N 1 1 448.055 3.943 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3ccsc31)CC2 ZINC001164786897 721448374 /nfs/dbraw/zinc/44/83/74/721448374.db2.gz OPGLDFSHGAHKQQ-LJQANCHMSA-N 1 1 430.618 3.734 20 0 IHADMO CCOc1cc(Cl)nc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1 ZINC001164789381 721458804 /nfs/dbraw/zinc/45/88/04/721458804.db2.gz XNRDJLLXUAXGKH-LJQANCHMSA-N 1 1 438.012 3.868 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@@H](F)c1ccnc(Cl)c1)CC2 ZINC001164784072 721459331 /nfs/dbraw/zinc/45/93/31/721459331.db2.gz GSAYDKLOVPBWNO-TZIWHRDSSA-N 1 1 425.976 3.933 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(Cl)nc1SC)CC2 ZINC001164789276 721459591 /nfs/dbraw/zinc/45/95/91/721459591.db2.gz WHRPSQABVOSFSE-QGZVFWFLSA-N 1 1 441.041 3.586 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164787599 721462833 /nfs/dbraw/zinc/46/28/33/721462833.db2.gz RONNBHJSHZQADN-KRWDZBQOSA-N 1 1 434.968 3.610 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3ccc(OC)cc31)CC2 ZINC001164783645 721464095 /nfs/dbraw/zinc/46/40/95/721464095.db2.gz DZGMOABBLYOTRO-JOCHJYFZSA-N 1 1 439.600 3.977 20 0 IHADMO CCc1nc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c(Cl)nc1C ZINC001164790059 721473432 /nfs/dbraw/zinc/47/34/32/721473432.db2.gz QNTNBWWYUFQQNS-LJQANCHMSA-N 1 1 437.028 3.735 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)CC[N@H+]3C2)c1 ZINC001164897200 721526171 /nfs/dbraw/zinc/52/61/71/721526171.db2.gz FIWCRIZQKCXONP-MJGOQNOKSA-N 1 1 425.895 3.673 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(F)c(F)cc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164807184 721547333 /nfs/dbraw/zinc/54/73/33/721547333.db2.gz PYQFGEXWYOEDPG-ZCNNSNEGSA-N 1 1 445.901 3.825 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(F)c(F)cc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164807184 721547337 /nfs/dbraw/zinc/54/73/37/721547337.db2.gz PYQFGEXWYOEDPG-ZCNNSNEGSA-N 1 1 445.901 3.825 20 0 IHADMO COC(=O)C[C@H](c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1)C1CC1 ZINC001164911104 721550851 /nfs/dbraw/zinc/55/08/51/721550851.db2.gz YMXSYHNTPSTZJM-PMVMPFDFSA-N 1 1 439.531 3.619 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)CC[N@H+]3C2)c1 ZINC001164911543 721552082 /nfs/dbraw/zinc/55/20/82/721552082.db2.gz ZHCVTQHUSBKLJY-ZFWWWQNUSA-N 1 1 434.302 3.813 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[N@H+]3C2)c1 ZINC001164908651 721560898 /nfs/dbraw/zinc/56/08/98/721560898.db2.gz RKJITXGOXGMAAB-FPOVZHCZSA-N 1 1 431.515 3.508 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[N@H+]3C2)c1 ZINC001164909642 721560954 /nfs/dbraw/zinc/56/09/54/721560954.db2.gz UMHGQWCYJUIWJW-FPOVZHCZSA-N 1 1 431.515 3.508 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1Cl ZINC001164800831 721561178 /nfs/dbraw/zinc/56/11/78/721561178.db2.gz FQBBFYCDHYXDTM-TXPKVOOTSA-N 1 1 438.906 3.552 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1Cl ZINC001164800831 721561183 /nfs/dbraw/zinc/56/11/83/721561183.db2.gz FQBBFYCDHYXDTM-TXPKVOOTSA-N 1 1 438.906 3.552 20 0 IHADMO CCOC(=O)c1cc2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164805824 721566396 /nfs/dbraw/zinc/56/63/96/721566396.db2.gz OZGXFYJQFVIERR-KMDXXIMOSA-N 1 1 446.551 3.675 20 0 IHADMO CCOC(=O)c1cc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164805824 721566399 /nfs/dbraw/zinc/56/63/99/721566399.db2.gz OZGXFYJQFVIERR-KMDXXIMOSA-N 1 1 446.551 3.675 20 0 IHADMO COc1cccc(Oc2cncc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)c1 ZINC001164806293 721568298 /nfs/dbraw/zinc/56/82/98/721568298.db2.gz PQSMQIIYNUINFI-WRALFONMSA-N 1 1 447.539 3.541 20 0 IHADMO COc1cccc(Oc2cncc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)c1 ZINC001164806293 721568301 /nfs/dbraw/zinc/56/83/01/721568301.db2.gz PQSMQIIYNUINFI-WRALFONMSA-N 1 1 447.539 3.541 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(F)cc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164810235 721582999 /nfs/dbraw/zinc/58/29/99/721582999.db2.gz VJRXVVKFIOMMCL-XPNTWCBSSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(F)cc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164810235 721583000 /nfs/dbraw/zinc/58/30/00/721583000.db2.gz VJRXVVKFIOMMCL-XPNTWCBSSA-N 1 1 435.503 3.671 20 0 IHADMO CCc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)cc1 ZINC001164800012 721583819 /nfs/dbraw/zinc/58/38/19/721583819.db2.gz BFOFAQXVHYOOAC-KYPHJKQUSA-N 1 1 429.568 3.969 20 0 IHADMO CCc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)cc1 ZINC001164800012 721583820 /nfs/dbraw/zinc/58/38/20/721583820.db2.gz BFOFAQXVHYOOAC-KYPHJKQUSA-N 1 1 429.568 3.969 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164800928 721585881 /nfs/dbraw/zinc/58/58/81/721585881.db2.gz DBUFZJLHNFMOMD-XUVXKRRUSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164800928 721585885 /nfs/dbraw/zinc/58/58/85/721585885.db2.gz DBUFZJLHNFMOMD-XUVXKRRUSA-N 1 1 427.911 3.686 20 0 IHADMO COC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164904163 721586436 /nfs/dbraw/zinc/58/64/36/721586436.db2.gz DKCWVFQCJBMPTI-HXUWFJFHSA-N 1 1 436.890 3.654 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164806192 721587980 /nfs/dbraw/zinc/58/79/80/721587980.db2.gz MFFWJZCDBMCESN-ZCNNSNEGSA-N 1 1 443.473 3.970 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164806192 721587983 /nfs/dbraw/zinc/58/79/83/721587983.db2.gz MFFWJZCDBMCESN-ZCNNSNEGSA-N 1 1 443.473 3.970 20 0 IHADMO F[C@H](Oc1ccc(Cl)nc1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907813 721703914 /nfs/dbraw/zinc/70/39/14/721703914.db2.gz UJLLHMRJZFDVFQ-RBUKOAKNSA-N 1 1 426.870 3.995 20 0 IHADMO F[C@@H](Oc1cccc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906845 721703950 /nfs/dbraw/zinc/70/39/50/721703950.db2.gz ORVSRYYLRSZQFV-MOPGFXCFSA-N 1 1 426.870 3.995 20 0 IHADMO COC(=O)c1ccc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907769 721708354 /nfs/dbraw/zinc/70/83/54/721708354.db2.gz TZYUTPQSFBOKBR-FQEVSTJZSA-N 1 1 436.890 3.654 20 0 IHADMO COc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2ccccc21 ZINC001164907275 721711176 /nfs/dbraw/zinc/71/11/76/721711176.db2.gz QHOTZPRYDOTVEH-QFIPXVFZSA-N 1 1 425.483 3.771 20 0 IHADMO Fc1ncccc1-c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905566 721716483 /nfs/dbraw/zinc/71/64/83/721716483.db2.gz HONZFPJWUDDPRB-QFIPXVFZSA-N 1 1 440.473 3.810 20 0 IHADMO CN(C)C(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164912596 721725123 /nfs/dbraw/zinc/72/51/23/721725123.db2.gz OFFUEMSXSMRKOY-NRFANRHFSA-N 1 1 449.933 3.570 20 0 IHADMO COc1cccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164913461 721725226 /nfs/dbraw/zinc/72/52/26/721725226.db2.gz VXRDTIIXWOZACU-JOCHJYFZSA-N 1 1 425.483 3.771 20 0 IHADMO C[C@@H]1CCCN(c2cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncn2)C1 ZINC001164913076 721731971 /nfs/dbraw/zinc/73/19/71/721731971.db2.gz SFSRCMSPARMSFT-AUSIDOKSSA-N 1 1 442.558 3.846 20 0 IHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc3ccccc3nc2Cl)CC1 ZINC001165011419 721741470 /nfs/dbraw/zinc/74/14/70/721741470.db2.gz WZHAQUIZOAXUCJ-UHFFFAOYSA-N 1 1 436.934 3.956 20 0 IHADMO CCOC(=O)c1cc2ccnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2[nH]1 ZINC001164908426 721751948 /nfs/dbraw/zinc/75/19/48/721751948.db2.gz IUNRKZCSRYVTRM-UHFFFAOYSA-N 1 1 445.523 3.922 20 0 IHADMO CCOC(=O)c1cc2ccnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2[nH]1 ZINC001164908426 721751952 /nfs/dbraw/zinc/75/19/52/721751952.db2.gz IUNRKZCSRYVTRM-UHFFFAOYSA-N 1 1 445.523 3.922 20 0 IHADMO COc1nc(-c2ccccc2)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910131 721757619 /nfs/dbraw/zinc/75/76/19/721757619.db2.gz NSAVJMQLIUBRAU-UHFFFAOYSA-N 1 1 442.523 3.730 20 0 IHADMO COc1nc(-c2ccccc2)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910131 721757621 /nfs/dbraw/zinc/75/76/21/721757621.db2.gz NSAVJMQLIUBRAU-UHFFFAOYSA-N 1 1 442.523 3.730 20 0 IHADMO Fc1cccc2c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc(Cl)nc12 ZINC001164914501 721800515 /nfs/dbraw/zinc/80/05/15/721800515.db2.gz OJYCIWDZZJEVRD-HSZRJFAPSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1cccc2c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc(Cl)nc12 ZINC001164914501 721800516 /nfs/dbraw/zinc/80/05/16/721800516.db2.gz OJYCIWDZZJEVRD-HSZRJFAPSA-N 1 1 442.922 3.530 20 0 IHADMO FC1(F)CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@]12CCN(c1cnccn1)C2 ZINC001164915870 721802682 /nfs/dbraw/zinc/80/26/82/721802682.db2.gz LVYRYVNWPZXFNB-OAQYLSRUSA-N 1 1 448.949 3.863 20 0 IHADMO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ncc21 ZINC001165025911 721807369 /nfs/dbraw/zinc/80/73/69/721807369.db2.gz PVIPZFTWCRJGOL-JWNTYJGQSA-N 1 1 431.540 3.548 20 0 IHADMO CCOC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165027124 721812389 /nfs/dbraw/zinc/81/23/89/721812389.db2.gz SJPPZPLNJQGLMK-APTRMMRNSA-N 1 1 445.567 3.938 20 0 IHADMO CN(C)C(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)c1 ZINC001165029593 721825287 /nfs/dbraw/zinc/82/52/87/721825287.db2.gz XGCWTLPEQYIQLK-NBHGPNQESA-N 1 1 427.980 3.569 20 0 IHADMO COC(=O)c1cc(Cl)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1C ZINC001165020691 721830242 /nfs/dbraw/zinc/83/02/42/721830242.db2.gz DFGDGTHQGOHEAL-LRQRDZAKSA-N 1 1 428.964 3.962 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nccnc2Cl)CC1 ZINC001165020333 721843056 /nfs/dbraw/zinc/84/30/56/721843056.db2.gz CNMVGBISXYVELU-UHFFFAOYSA-N 1 1 426.895 3.793 20 0 IHADMO CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCNC(=O)[C@H]3C)n2)CC1 ZINC001165036764 721883618 /nfs/dbraw/zinc/88/36/18/721883618.db2.gz MRJIPZQNPPSLII-OAHLLOKOSA-N 1 1 441.626 3.976 20 0 IHADMO COC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c(Cl)c1 ZINC001164937578 721920132 /nfs/dbraw/zinc/92/01/32/721920132.db2.gz DGSLUESEVRUMOJ-UHFFFAOYSA-N 1 1 429.948 3.701 20 0 IHADMO COC(=O)c1cc(Cl)cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939900 721922597 /nfs/dbraw/zinc/92/25/97/721922597.db2.gz PGZQHQLGAVRCNF-UHFFFAOYSA-N 1 1 429.948 3.701 20 0 IHADMO FC(F)(Oc1ccc(Cl)nc1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964690 722054376 /nfs/dbraw/zinc/05/43/76/722054376.db2.gz WQMNFVBZYKCCSH-UHFFFAOYSA-N 1 1 438.906 3.674 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@@H]2C1 ZINC001164969180 722082611 /nfs/dbraw/zinc/08/26/11/722082611.db2.gz KXWNNDQMWKPVHM-VQTJNVASSA-N 1 1 431.939 3.859 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@@H]2C1 ZINC001164969180 722082612 /nfs/dbraw/zinc/08/26/12/722082612.db2.gz KXWNNDQMWKPVHM-VQTJNVASSA-N 1 1 431.939 3.859 20 0 IHADMO Fc1cccc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164972414 722110245 /nfs/dbraw/zinc/11/02/45/722110245.db2.gz FDJJBQZGSSOIHJ-VQIMIIECSA-N 1 1 427.911 3.545 20 0 IHADMO Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCCCC2 ZINC001164976665 722113460 /nfs/dbraw/zinc/11/34/60/722113460.db2.gz MAYVNGBLVUVWHL-RXVVDRJESA-N 1 1 427.980 3.521 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983671 722128828 /nfs/dbraw/zinc/12/88/28/722128828.db2.gz YZQXXQCVLPPNEY-KNQAVFIVSA-N 1 1 429.524 3.807 20 0 IHADMO Fc1cccc(Oc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164983892 722135209 /nfs/dbraw/zinc/13/52/09/722135209.db2.gz VYWZZSUHIJGZTR-UGKGYDQZSA-N 1 1 435.503 3.530 20 0 IHADMO Clc1cccc(-c2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)c1 ZINC001164984961 722144616 /nfs/dbraw/zinc/14/46/16/722144616.db2.gz YMBDYVNLJIMDNJ-OFNKIYASSA-N 1 1 435.959 3.919 20 0 IHADMO c1ccc(SCc2nccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164973265 722154480 /nfs/dbraw/zinc/15/44/80/722154480.db2.gz LWFDRKBMLPVZPH-JTHBVZDNSA-N 1 1 447.608 3.891 20 0 IHADMO c1ccc(SCc2nccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164973252 722154976 /nfs/dbraw/zinc/15/49/76/722154976.db2.gz LWFDRKBMLPVZPH-FYYLOGMGSA-N 1 1 447.608 3.891 20 0 IHADMO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972581 722156321 /nfs/dbraw/zinc/15/63/21/722156321.db2.gz INBNXMCXPFFSKZ-SJLPKXTDSA-N 1 1 440.947 3.995 20 0 IHADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@]4(C[C@H](OCC5CCCC5)CO4)C3)c2)CC1 ZINC001164973752 722166331 /nfs/dbraw/zinc/16/63/31/722166331.db2.gz CRQSXFMNFQADDS-ZCYQVOJMSA-N 1 1 429.605 3.889 20 0 IHADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993613 722198112 /nfs/dbraw/zinc/19/81/12/722198112.db2.gz FNYDKUKPNKYCDD-JOCHJYFZSA-N 1 1 432.927 3.620 20 0 IHADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)COc2ccc(Cl)nn2)C3)c1 ZINC001164996237 722207829 /nfs/dbraw/zinc/20/78/29/722207829.db2.gz RYJWSUMUKSMOJF-LJQANCHMSA-N 1 1 426.870 3.981 20 0 IHADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)COc2ccc(Cl)nn2)C3)c1 ZINC001164996237 722207832 /nfs/dbraw/zinc/20/78/32/722207832.db2.gz RYJWSUMUKSMOJF-LJQANCHMSA-N 1 1 426.870 3.981 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165001416 722249922 /nfs/dbraw/zinc/24/99/22/722249922.db2.gz QBLLORIIRXFFNR-SQJMNOBHSA-N 1 1 438.572 3.733 20 0 IHADMO Cc1ccccc1-c1nc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)no1 ZINC001171949494 1126148633 /nfs/dbraw/zinc/14/86/33/1126148633.db2.gz TWHRLGOEYPTOCU-OAQYLSRUSA-N 1 1 428.330 3.817 20 0 IHADMO COc1cc(-c2noc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)n2)ccc1C ZINC001198218967 1126154792 /nfs/dbraw/zinc/15/47/92/1126154792.db2.gz LTEOMPLHFLXUMN-OAQYLSRUSA-N 1 1 446.345 3.899 20 0 IHADMO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@@H](CO)Cc3ccc(C)cc3)cs2)cc1 ZINC001308690968 1126168393 /nfs/dbraw/zinc/16/83/93/1126168393.db2.gz JCLGTDQMLVLSBE-LJQANCHMSA-N 1 1 425.554 3.838 20 0 IHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC5(CC(=O)CO5)CC3)n2)CCC4)CC1 ZINC001164391362 718827769 /nfs/dbraw/zinc/82/77/69/718827769.db2.gz URUTXPZPRQHCKL-UHFFFAOYSA-N 1 1 440.613 3.740 20 0 IHADMO Cc1cc2nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc(N3CCOCC3)c2s1 ZINC001164621019 719085755 /nfs/dbraw/zinc/08/57/55/719085755.db2.gz GDPIMJGWDLYWQP-RBBKRZOGSA-N 1 1 449.624 3.937 20 0 IHADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1[C@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164638775 719214609 /nfs/dbraw/zinc/21/46/09/719214609.db2.gz PDOZKALOKTVBIJ-VTJXTGGHSA-N 1 1 438.378 3.946 20 0 IHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1 ZINC001164649711 719312382 /nfs/dbraw/zinc/31/23/82/719312382.db2.gz RHAZXDKAECCAGS-UHFFFAOYSA-N 1 1 433.000 3.619 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3scc(-c4cccs4)c31)CC2 ZINC001164686271 719707324 /nfs/dbraw/zinc/70/73/24/719707324.db2.gz YQWISPBXJKSFJO-UHFFFAOYSA-N 1 1 427.599 3.601 20 0 IHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3cn(C)nc3[C@H](COC)C2)n1 ZINC001164693514 719832853 /nfs/dbraw/zinc/83/28/53/719832853.db2.gz BUOXSZACGLPIQL-KRWDZBQOSA-N 1 1 428.606 3.634 20 0 IHADMO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164699045 719895075 /nfs/dbraw/zinc/89/50/75/719895075.db2.gz WBKLOGWXXYCYCE-VURMDHGXSA-N 1 1 427.570 3.591 20 0 IHADMO Cc1cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)nn1 ZINC001164707493 719898645 /nfs/dbraw/zinc/89/86/45/719898645.db2.gz ROJZGMMGPBAFBG-UHFFFAOYSA-N 1 1 428.936 3.916 20 0 IHADMO C[C@@H]1CCCN(c2cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ncn2)C1 ZINC001164707294 719901108 /nfs/dbraw/zinc/90/11/08/719901108.db2.gz OPIXIPCKKBAOIX-LJQANCHMSA-N 1 1 427.618 3.646 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3nc(Cl)ccc31)CC2 ZINC001164710615 720103429 /nfs/dbraw/zinc/10/34/29/720103429.db2.gz KBEGPZCEYIAUJU-GOSISDBHSA-N 1 1 438.963 3.581 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c(OC)cccc31)CC2 ZINC001164710010 720104103 /nfs/dbraw/zinc/10/41/03/720104103.db2.gz FKSLAZIBGSGPDC-FQEVSTJZSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c(OC)cccc31)CC2 ZINC001164710011 720104770 /nfs/dbraw/zinc/10/47/70/720104770.db2.gz FKSLAZIBGSGPDC-HXUWFJFHSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(OC(C)(C)C)n1)CC2 ZINC001164716389 720120255 /nfs/dbraw/zinc/12/02/55/720120255.db2.gz KRECDZDAIIYQKK-HXUWFJFHSA-N 1 1 425.577 3.556 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccc(OC)cc3nc1C)CC2 ZINC001164711229 720147347 /nfs/dbraw/zinc/14/73/47/720147347.db2.gz GFNIAUCTVQAHBC-NRFANRHFSA-N 1 1 447.583 3.849 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1N1CCCCC1)C2 ZINC001164813066 720160460 /nfs/dbraw/zinc/16/04/60/720160460.db2.gz CMBOOPQNWBOWIW-LVXARBLLSA-N 1 1 435.616 3.805 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)C2 ZINC001164812997 720192198 /nfs/dbraw/zinc/19/21/98/720192198.db2.gz BJEIMSPNZGHBPP-CJFMBICVSA-N 1 1 438.572 3.771 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3ccc(Cl)cc31)CCC2 ZINC001164812893 720209081 /nfs/dbraw/zinc/20/90/81/720209081.db2.gz MUXWQMSUILLCAC-UHFFFAOYSA-N 1 1 447.370 3.744 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)ncc(Cl)c1Cl)CCC2 ZINC001164811910 720225089 /nfs/dbraw/zinc/22/50/89/720225089.db2.gz AFJDNUVNUZYMGC-UHFFFAOYSA-N 1 1 430.767 3.849 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc(Cl)c(Cl)cc31)CCC2 ZINC001164814477 720230866 /nfs/dbraw/zinc/23/08/66/720230866.db2.gz UPLHJZFFMLYEMF-UHFFFAOYSA-N 1 1 447.370 3.744 20 0 IHADMO 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COC(=O)c1cc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cnc1Cl ZINC001164860710 720947080 /nfs/dbraw/zinc/94/70/80/720947080.db2.gz RIKUXGLTHPYRQN-CYBMUJFWSA-N 1 1 441.910 3.684 20 0 IHADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164857117 720971709 /nfs/dbraw/zinc/97/17/09/720971709.db2.gz CKORVVNIUXFLIU-ZDUSSCGKSA-N 1 1 441.910 3.684 20 0 IHADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164862773 720993397 /nfs/dbraw/zinc/99/33/97/720993397.db2.gz UMYUMWGNDGWQKM-CYBMUJFWSA-N 1 1 441.910 3.684 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)[C@H]2C ZINC001164859671 721006904 /nfs/dbraw/zinc/00/69/04/721006904.db2.gz LATMTFYQVUAALS-KRWDZBQOSA-N 1 1 445.011 3.979 20 0 IHADMO Clc1cc2c(Cl)ccnc2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865184 721082975 /nfs/dbraw/zinc/08/29/75/721082975.db2.gz JLCFOWLQEXYGRA-HZPDHXFCSA-N 1 1 430.339 3.811 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc5ccsc5c(Cl)n4)C[C@H]3C2)cn1 ZINC001164763006 721094443 /nfs/dbraw/zinc/09/44/43/721094443.db2.gz FVHXYSFSTYEWLQ-UONOGXRCSA-N 1 1 438.935 3.581 20 0 IHADMO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164881205 721140913 /nfs/dbraw/zinc/14/09/13/721140913.db2.gz ZVQNAZRAWLIONE-VXKWHMMOSA-N 1 1 438.535 3.567 20 0 IHADMO CSc1ccc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1Cl ZINC001164772286 721150636 /nfs/dbraw/zinc/15/06/36/721150636.db2.gz VGAFTVPFWAZJPX-CABCVRRESA-N 1 1 427.952 3.694 20 0 IHADMO Fc1ccc(COc2cccnc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164874561 721161235 /nfs/dbraw/zinc/16/12/35/721161235.db2.gz KQXXJFXNHQWYCD-PKTZIBPZSA-N 1 1 434.515 3.674 20 0 IHADMO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164874482 721163637 /nfs/dbraw/zinc/16/36/37/721163637.db2.gz KCCZMJPLFXIWFQ-RBUKOAKNSA-N 1 1 439.922 3.811 20 0 IHADMO Clc1ccc2c(Cl)nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164880981 721168895 /nfs/dbraw/zinc/16/88/95/721168895.db2.gz YMOWYVHLGAAHIB-IRXDYDNUSA-N 1 1 430.339 3.811 20 0 IHADMO c1cc2c(nc(-c3ccccn3)nc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164880453 721172765 /nfs/dbraw/zinc/17/27/65/721172765.db2.gz WSOJUFRVSNBWMN-RTBURBONSA-N 1 1 444.564 3.628 20 0 IHADMO Clc1ccc(OC(Cl)(Cl)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cn1 ZINC001164868066 721192966 /nfs/dbraw/zinc/19/29/66/721192966.db2.gz JWDBJIVUTRIRKC-NVXWUHKLSA-N 1 1 443.762 3.573 20 0 IHADMO Clc1ccc(OC(Cl)(Cl)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cn1 ZINC001164868066 721192977 /nfs/dbraw/zinc/19/29/77/721192977.db2.gz JWDBJIVUTRIRKC-NVXWUHKLSA-N 1 1 443.762 3.573 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C[C@@H]3C2)cn1 ZINC001164763170 721232334 /nfs/dbraw/zinc/23/23/34/721232334.db2.gz MGTGQQMHWJJEEZ-KBPBESRZSA-N 1 1 449.855 3.991 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccccc4F)C[C@H]3C2)cn1 ZINC001164760323 721238499 /nfs/dbraw/zinc/23/84/99/721238499.db2.gz DKRSURYFOFWKCG-DLBZAZTESA-N 1 1 442.926 3.753 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)n1 ZINC001164874210 721313022 /nfs/dbraw/zinc/31/30/22/721313022.db2.gz BKRXBJHEUKYCHZ-YZGWKJHDSA-N 1 1 428.964 3.789 20 0 IHADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@@H]2C)C1=O ZINC001164777899 721320551 /nfs/dbraw/zinc/32/05/51/721320551.db2.gz MPSHAMAFKRMGDB-NPMXOYFQSA-N 1 1 427.618 3.599 20 0 IHADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@H]2C)C1=O ZINC001164777898 721320721 /nfs/dbraw/zinc/32/07/21/721320721.db2.gz MPSHAMAFKRMGDB-IQMFZBJNSA-N 1 1 427.618 3.599 20 0 IHADMO CCc1c(Cl)nnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1CC ZINC001164780079 721351143 /nfs/dbraw/zinc/35/11/43/721351143.db2.gz ZKGAYGRDRUVJCP-QHCPKHFHSA-N 1 1 448.011 3.979 20 0 IHADMO CCc1c(Cl)nnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1CC ZINC001164780079 721351146 /nfs/dbraw/zinc/35/11/46/721351146.db2.gz ZKGAYGRDRUVJCP-QHCPKHFHSA-N 1 1 448.011 3.979 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(SC(C)C)nn3)C2)C1 ZINC001164782967 721370074 /nfs/dbraw/zinc/37/00/74/721370074.db2.gz OIHLQALORNCUSJ-JOCHJYFZSA-N 1 1 431.606 3.701 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(SC(C)C)nn3)C2)C1 ZINC001164782967 721370077 /nfs/dbraw/zinc/37/00/77/721370077.db2.gz OIHLQALORNCUSJ-JOCHJYFZSA-N 1 1 431.606 3.701 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164886352 721385406 /nfs/dbraw/zinc/38/54/06/721385406.db2.gz FJLUIRCFPWPZSS-BEFAXECRSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C3)O2)CC1 ZINC001164890956 721410518 /nfs/dbraw/zinc/41/05/18/721410518.db2.gz UTEMSNVJSINWCM-HNAYVOBHSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nnc4-c4ccccc4)C3)O2)CC1 ZINC001164891139 721412164 /nfs/dbraw/zinc/41/21/64/721412164.db2.gz VHPOEFZOUCXSFM-HYBUGGRVSA-N 1 1 442.007 3.562 20 0 IHADMO Cc1ccc2cc(Cl)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164890552 721423234 /nfs/dbraw/zinc/42/32/34/721423234.db2.gz SZNZJWOYTDNTCZ-RDPSFJRHSA-N 1 1 429.008 3.962 20 0 IHADMO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164897827 721425322 /nfs/dbraw/zinc/42/53/22/721425322.db2.gz UTEXWTJUMJNGIH-RDPSFJRHSA-N 1 1 429.008 3.962 20 0 IHADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164786416 721431284 /nfs/dbraw/zinc/43/12/84/721431284.db2.gz OREWHTIKVIGCBZ-ZOCZFRKYSA-N 1 1 445.951 3.949 20 0 IHADMO Clc1cccc(COc2cncc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n2)c1 ZINC001164786315 721435842 /nfs/dbraw/zinc/43/58/42/721435842.db2.gz OJHDPBLCDICHJP-IAGOWNOFSA-N 1 1 427.961 3.734 20 0 IHADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164790505 721437098 /nfs/dbraw/zinc/43/70/98/721437098.db2.gz YGFYLCXXZIFDKT-GJZGRUSLSA-N 1 1 443.960 3.956 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Sc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164886539 721451250 /nfs/dbraw/zinc/45/12/50/721451250.db2.gz HCIUANZLYSQYKS-LPHOPBHVSA-N 1 1 446.995 3.638 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3ccc(F)cc31)CC2 ZINC001164786003 721452913 /nfs/dbraw/zinc/45/29/13/721452913.db2.gz LTGGPXZFQLZCKT-FQEVSTJZSA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164785928 721455237 /nfs/dbraw/zinc/45/52/37/721455237.db2.gz IRRYPZXBRAQNJP-NQIIRXRSSA-N 1 1 441.975 3.596 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c(F)cccc31)CC2 ZINC001164790042 721458317 /nfs/dbraw/zinc/45/83/17/721458317.db2.gz ZESIRWSXGFAPBS-LJQANCHMSA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164790668 721466979 /nfs/dbraw/zinc/46/69/79/721466979.db2.gz UINCCOHXTXLEQU-HSZRJFAPSA-N 1 1 436.600 3.878 20 0 IHADMO CCc1nc2sccc2c(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789514 721470086 /nfs/dbraw/zinc/47/00/86/721470086.db2.gz NGGJJOMCCKBBCP-LJQANCHMSA-N 1 1 444.645 3.988 20 0 IHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164796614 721503635 /nfs/dbraw/zinc/50/36/35/721503635.db2.gz UACGOBNPHZHJSS-IBGZPJMESA-N 1 1 443.979 3.574 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC[N@H+]3C2)c1 ZINC001164897174 721512684 /nfs/dbraw/zinc/51/26/84/721512684.db2.gz DWPONMGKLPGUGO-TZMCWYRMSA-N 1 1 433.261 3.809 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nnc(Cl)cc4-c4ccncc4)CC[N@H+]3C2)c1 ZINC001164899586 721517036 /nfs/dbraw/zinc/51/70/36/721517036.db2.gz LFPYAUXFLCLQDV-IEBWSBKVSA-N 1 1 425.895 3.673 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nnc(Cl)cc4-c4ccncc4)CC[N@H+]3C2)c1 ZINC001164899583 721517109 /nfs/dbraw/zinc/51/71/09/721517109.db2.gz LFPYAUXFLCLQDV-HKUYNNGSSA-N 1 1 425.895 3.673 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)ncc4Cl)CC[N@H+]3C2)c1 ZINC001164897660 721522270 /nfs/dbraw/zinc/52/22/70/721522270.db2.gz GEAABIIWZHZQPU-TZMCWYRMSA-N 1 1 433.261 3.809 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccnc4C4SCCCS4)CC[N@H+]3C2)c1 ZINC001164901037 721525584 /nfs/dbraw/zinc/52/55/84/721525584.db2.gz WDQNNLYGJRGUND-AEFFLSMTSA-N 1 1 432.590 3.826 20 0 IHADMO COCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(-c2ccccc2)n1 ZINC001164802521 721530617 /nfs/dbraw/zinc/53/06/17/721530617.db2.gz GRFGLDSEEIVQAO-SONWIMMPSA-N 1 1 445.567 3.553 20 0 IHADMO COCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(-c2ccccc2)n1 ZINC001164802521 721530624 /nfs/dbraw/zinc/53/06/24/721530624.db2.gz GRFGLDSEEIVQAO-SONWIMMPSA-N 1 1 445.567 3.553 20 0 IHADMO COc1cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc(Cl)n1 ZINC001164807174 721532807 /nfs/dbraw/zinc/53/28/07/721532807.db2.gz PWHNHGWRKCFAAW-FUHIMQAGSA-N 1 1 438.906 3.552 20 0 IHADMO COc1cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc(Cl)n1 ZINC001164807174 721532812 /nfs/dbraw/zinc/53/28/12/721532812.db2.gz PWHNHGWRKCFAAW-FUHIMQAGSA-N 1 1 438.906 3.552 20 0 IHADMO CSc1nc2ccsc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164801440 721549377 /nfs/dbraw/zinc/54/93/77/721549377.db2.gz FJOXFJMFDYBIHJ-SQNIBIBYSA-N 1 1 427.599 3.676 20 0 IHADMO CSc1nc2ccsc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164801440 721549382 /nfs/dbraw/zinc/54/93/82/721549382.db2.gz FJOXFJMFDYBIHJ-SQNIBIBYSA-N 1 1 427.599 3.676 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3c[nH]c4ccccc34)n2)[C@@H]2CCCO[C@H]12 ZINC001164807843 721551917 /nfs/dbraw/zinc/55/19/17/721551917.db2.gz RNUCHSBOLWRCJN-SDHSZQHLSA-N 1 1 440.551 3.888 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3c[nH]c4ccccc34)n2)[C@@H]2CCCO[C@H]12 ZINC001164807843 721551920 /nfs/dbraw/zinc/55/19/20/721551920.db2.gz RNUCHSBOLWRCJN-SDHSZQHLSA-N 1 1 440.551 3.888 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCc3ccccc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800975 721569371 /nfs/dbraw/zinc/56/93/71/721569371.db2.gz GBXUNSRXTSGWPY-JQYIIUTOSA-N 1 1 430.552 3.924 20 0 IHADMO COC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904101 721586139 /nfs/dbraw/zinc/58/61/39/721586139.db2.gz CYWPUCVYRVBUIL-FQEVSTJZSA-N 1 1 436.890 3.654 20 0 IHADMO Cc1c(Cl)nc(CC(C)C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808075 721588360 /nfs/dbraw/zinc/58/83/60/721588360.db2.gz PVAARGCHZQMUPL-IRFCIJBXSA-N 1 1 429.996 3.900 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164811996 721589194 /nfs/dbraw/zinc/58/91/94/721589194.db2.gz ZJEKBFVVJFUGTH-TZRRMPRUSA-N 1 1 433.531 3.854 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164811996 721589196 /nfs/dbraw/zinc/58/91/96/721589196.db2.gz ZJEKBFVVJFUGTH-TZRRMPRUSA-N 1 1 433.531 3.854 20 0 IHADMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1-c1ccccc1F ZINC001164811274 721589445 /nfs/dbraw/zinc/58/94/45/721589445.db2.gz XCEVWVJWRFXBDQ-WPFOTENUSA-N 1 1 433.531 3.854 20 0 IHADMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1-c1ccccc1F ZINC001164811274 721589447 /nfs/dbraw/zinc/58/94/47/721589447.db2.gz XCEVWVJWRFXBDQ-WPFOTENUSA-N 1 1 433.531 3.854 20 0 IHADMO FC1(F)CCN(c2nc(Cl)nc3c2SCC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906648 721698606 /nfs/dbraw/zinc/69/86/06/721698606.db2.gz NVTXGVVMOZARNY-LJQANCHMSA-N 1 1 437.947 3.911 20 0 IHADMO FC1(F)CCN(c2nc3ncccc3nc2Cl)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908068 721702662 /nfs/dbraw/zinc/70/26/62/721702662.db2.gz UYZCUZVKVXHVGL-FQEVSTJZSA-N 1 1 430.890 3.811 20 0 IHADMO F[C@@H](Oc1cccc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906854 721704040 /nfs/dbraw/zinc/70/40/40/721704040.db2.gz ORVSRYYLRSZQFV-RTBURBONSA-N 1 1 426.870 3.995 20 0 IHADMO FC(F)(c1cnnc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904142 721705706 /nfs/dbraw/zinc/70/57/06/721705706.db2.gz AGDPVTWVUWBSRZ-KRWDZBQOSA-N 1 1 429.849 3.808 20 0 IHADMO FC(F)(c1nccnc1Cl)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904833 721720149 /nfs/dbraw/zinc/72/01/49/721720149.db2.gz DGSNBIZMZBOUCH-QGZVFWFLSA-N 1 1 429.849 3.808 20 0 IHADMO C=Cc1nc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1OC ZINC001164907774 721721213 /nfs/dbraw/zinc/72/12/13/721721213.db2.gz UAKQJAYAJATMRN-FQEVSTJZSA-N 1 1 435.906 3.914 20 0 IHADMO CC1CCN(c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164909805 721725324 /nfs/dbraw/zinc/72/53/24/721725324.db2.gz DSKNNCGFPSTVTE-QHCPKHFHSA-N 1 1 442.558 3.846 20 0 IHADMO FC(F)(Oc1cnc(Cl)cn1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913814 721738059 /nfs/dbraw/zinc/73/80/59/721738059.db2.gz YBBIKPRJERTROS-QGZVFWFLSA-N 1 1 445.848 3.687 20 0 IHADMO COC(=O)c1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncc1Cl ZINC001164908459 721745374 /nfs/dbraw/zinc/74/53/74/721745374.db2.gz JRRNJZGRAWTYPY-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COC(=O)c1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncc1Cl ZINC001164908459 721745380 /nfs/dbraw/zinc/74/53/80/721745380.db2.gz JRRNJZGRAWTYPY-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COC(=O)c1c[nH]c2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)ccc12 ZINC001164909365 721751366 /nfs/dbraw/zinc/75/13/66/721751366.db2.gz POQCHMRLTHOLEX-UHFFFAOYSA-N 1 1 431.496 3.532 20 0 IHADMO COC(=O)c1c[nH]c2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)ccc12 ZINC001164909365 721751369 /nfs/dbraw/zinc/75/13/69/721751369.db2.gz POQCHMRLTHOLEX-UHFFFAOYSA-N 1 1 431.496 3.532 20 0 IHADMO O=C(c1ccco1)N1C[C@H]2CCCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)[C@H]2C1 ZINC001165015498 721769622 /nfs/dbraw/zinc/76/96/22/721769622.db2.gz LTIAUMFVMHLKQA-VWNXMTODSA-N 1 1 442.563 3.974 20 0 IHADMO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ncc2c1 ZINC001165027248 721804256 /nfs/dbraw/zinc/80/42/56/721804256.db2.gz UXVCZMFEXATELX-AVCGJXAMSA-N 1 1 431.540 3.548 20 0 IHADMO CCOC(=O)c1cc2cccnc2nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024262 721811574 /nfs/dbraw/zinc/81/15/74/721811574.db2.gz KDDCSOWOZAMWFT-WWPVKYPJSA-N 1 1 445.567 3.938 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C[C@@H]21 ZINC001165027426 721821537 /nfs/dbraw/zinc/82/15/37/721821537.db2.gz SCCGDFRCPQEMMW-UCLAIMLFSA-N 1 1 449.933 3.511 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)COc3ccc(Cl)nn3)C[C@@H]21 ZINC001165027284 721823989 /nfs/dbraw/zinc/82/39/89/721823989.db2.gz RVLKFVYTXVKETN-BPQIPLTHSA-N 1 1 437.922 3.729 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)C[C@@H]21 ZINC001165019089 721828544 /nfs/dbraw/zinc/82/85/44/721828544.db2.gz AUBYNVZONXIASQ-VNQPRFMTSA-N 1 1 444.370 3.859 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cncc(Cl)n2)CC1 ZINC001165022067 721842376 /nfs/dbraw/zinc/84/23/76/721842376.db2.gz OXDRJBBVZHATCT-UHFFFAOYSA-N 1 1 426.895 3.793 20 0 IHADMO CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@@H]2CC[N@H+]4CCN(C)C)n1)CCCC3 ZINC001164930924 721879692 /nfs/dbraw/zinc/87/96/92/721879692.db2.gz DJMNYONDOZMQFG-IRXDYDNUSA-N 1 1 431.675 3.648 20 0 IHADMO CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@@H]2CCN4CC[NH+](C)C)n1)CCCC3 ZINC001164930924 721879694 /nfs/dbraw/zinc/87/96/94/721879694.db2.gz DJMNYONDOZMQFG-IRXDYDNUSA-N 1 1 431.675 3.648 20 0 IHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164929744 721884603 /nfs/dbraw/zinc/88/46/03/721884603.db2.gz CBZKTPYPYQCHBQ-FGZHOGPDSA-N 1 1 426.008 3.890 20 0 IHADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001164929744 721884605 /nfs/dbraw/zinc/88/46/05/721884605.db2.gz CBZKTPYPYQCHBQ-FGZHOGPDSA-N 1 1 426.008 3.890 20 0 IHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@@H]5[C@H]3CCC(=O)N5C)n2)CCC4)CC1 ZINC001164933953 721893224 /nfs/dbraw/zinc/89/32/24/721893224.db2.gz NQCYHBPCQXLGJR-QZTJIDSGSA-N 1 1 439.629 3.611 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC3CCC3)C2)nc1 ZINC001164931194 721897855 /nfs/dbraw/zinc/89/78/55/721897855.db2.gz DMPOGXSOIPYFGM-BUZMGHMJSA-N 1 1 440.632 3.919 20 0 IHADMO COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164937577 721920537 /nfs/dbraw/zinc/92/05/37/721920537.db2.gz DFAQITOKOGJIHD-UHFFFAOYSA-N 1 1 429.948 3.701 20 0 IHADMO COc1cc2c(cc1F)ncnc2N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939959 721928634 /nfs/dbraw/zinc/92/86/34/721928634.db2.gz PFEMMWWLBIYIBG-UHFFFAOYSA-N 1 1 436.531 3.957 20 0 IHADMO Fc1ccc(Oc2nc(Cl)nc(N3CC[NH+](CCOc4ccccc4)CC3)n2)cc1 ZINC001165044951 721957583 /nfs/dbraw/zinc/95/75/83/721957583.db2.gz QZIGGQOBQRNMLE-UHFFFAOYSA-N 1 1 429.883 3.657 20 0 IHADMO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@@H]21 ZINC001164950965 721958241 /nfs/dbraw/zinc/95/82/41/721958241.db2.gz YNRWHEHQKPPKBG-XZOQPEGZSA-N 1 1 433.556 3.529 20 0 IHADMO COC[C@]12COC[C@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164954965 721995004 /nfs/dbraw/zinc/99/50/04/721995004.db2.gz YJOVVEYQKQTUNP-OBWXTZQISA-N 1 1 442.629 3.511 20 0 IHADMO COc1cc2nc(C)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2cc1OC ZINC001164953853 722017594 /nfs/dbraw/zinc/01/75/94/722017594.db2.gz ZRZBVQROYURUQJ-UHFFFAOYSA-N 1 1 433.556 3.843 20 0 IHADMO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ccc(C[N@H+](C)C4CC4)cn2)C3)n1 ZINC001164959847 722027362 /nfs/dbraw/zinc/02/73/62/722027362.db2.gz IYTDQPTZBGDZMJ-RSXGOPAZSA-N 1 1 436.600 3.972 20 0 IHADMO CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH]1 ZINC001164961734 722058869 /nfs/dbraw/zinc/05/88/69/722058869.db2.gz ORTVZNLZQRGIJB-UHFFFAOYSA-N 1 1 440.979 3.688 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cscn2)nc1 ZINC001164966518 722065659 /nfs/dbraw/zinc/06/56/59/722065659.db2.gz VNJRFZVFENHACU-QHAWAJNXSA-N 1 1 425.602 3.969 20 0 IHADMO Fc1c(Cl)nccc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980716 722102295 /nfs/dbraw/zinc/10/22/95/722102295.db2.gz JYXBNKNZRYQTQY-DOTOQJQBSA-N 1 1 426.870 3.541 20 0 IHADMO CSc1nc2sccc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164986247 722103602 /nfs/dbraw/zinc/10/36/02/722103602.db2.gz YNVOYPNEVHIZJZ-WMZOPIPTSA-N 1 1 427.599 3.536 20 0 IHADMO Fc1cccc2c1nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979084 722112360 /nfs/dbraw/zinc/11/23/60/722112360.db2.gz OVEZCMFCTBVJKU-QFBILLFUSA-N 1 1 427.911 3.545 20 0 IHADMO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972425 722116823 /nfs/dbraw/zinc/11/68/23/722116823.db2.gz FEOQEWWLGSNNIM-QAPCUYQASA-N 1 1 426.870 3.541 20 0 IHADMO Clc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(-c2ccccc2)nn1 ZINC001164974939 722118914 /nfs/dbraw/zinc/11/89/14/722118914.db2.gz JDCXVOVTFKSODJ-IFMALSPDSA-N 1 1 435.959 3.919 20 0 IHADMO Clc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(-c2ccccc2)nn1 ZINC001164974945 722119335 /nfs/dbraw/zinc/11/93/35/722119335.db2.gz JDCXVOVTFKSODJ-UNMCSNQZSA-N 1 1 435.959 3.919 20 0 IHADMO Clc1ncc(-c2ccccc2)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981088 722119679 /nfs/dbraw/zinc/11/96/79/722119679.db2.gz SLJWIZJZMAPGKC-RBBKRZOGSA-N 1 1 435.959 3.919 20 0 IHADMO c1cn(C2CCCC2)c2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971374 722122297 /nfs/dbraw/zinc/12/22/97/722122297.db2.gz BQBRTTLUMMOFOF-NFBKMPQASA-N 1 1 432.572 3.669 20 0 IHADMO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983373 722143389 /nfs/dbraw/zinc/14/33/89/722143389.db2.gz USSITKPTZMIKJB-PXNSSMCTSA-N 1 1 449.933 3.675 20 0 IHADMO Fc1ccc2c(Cl)nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981672 722150020 /nfs/dbraw/zinc/15/00/20/722150020.db2.gz PYVACZFUNMQJID-OXQOHEQNSA-N 1 1 427.911 3.545 20 0 IHADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973900 722154008 /nfs/dbraw/zinc/15/40/08/722154008.db2.gz NMGDSDWGXHNNLX-RDPSFJRHSA-N 1 1 433.531 3.713 20 0 IHADMO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972577 722156006 /nfs/dbraw/zinc/15/60/06/722156006.db2.gz INBNXMCXPFFSKZ-FUHWJXTLSA-N 1 1 440.947 3.995 20 0 IHADMO FC(F)(N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164975273 722157105 /nfs/dbraw/zinc/15/71/05/722157105.db2.gz QSBKRLHQQIJHCI-UYAOXDASSA-N 1 1 448.945 3.977 20 0 IHADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)cc(O[C@H]4CCOC4)n2)C3)c1 ZINC001164995037 722213220 /nfs/dbraw/zinc/21/32/20/722213220.db2.gz FNQMGOXROQDTOI-PGRDOPGGSA-N 1 1 432.927 3.682 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001165000375 722220396 /nfs/dbraw/zinc/22/03/96/722220396.db2.gz WRHHSVPNTDQGLU-LVXARBLLSA-N 1 1 448.567 3.991 20 0 IHADMO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1Br)OCO2)C(F)(F)F ZINC000604765693 1126099458 /nfs/dbraw/zinc/09/94/58/1126099458.db2.gz JLBWBCYEKXUXIH-YOEHRIQHSA-N 1 1 432.236 3.802 20 0 IHADMO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(Br)c1O ZINC000680627728 1126105830 /nfs/dbraw/zinc/10/58/30/1126105830.db2.gz QZZYBHGXHXDQNZ-GUYCJALGSA-N 1 1 434.252 3.787 20 0 IHADMO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(CCc2ccccc2)no1 ZINC001198218447 1126154547 /nfs/dbraw/zinc/15/45/47/1126154547.db2.gz HHGLZVKPMFVSQU-NRFANRHFSA-N 1 1 430.346 3.701 20 0 IHADMO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nnc(-c3cccc4ccccc43)o2)cc1OC ZINC001460867192 1126192861 /nfs/dbraw/zinc/19/28/61/1126192861.db2.gz ICCFJLXUKJADNO-RUZDIDTESA-N 1 1 433.508 3.990 20 0 IHADMO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@@H](CO)Cc3cccc(C)c3)cs2)cc1 ZINC001462096161 1126197338 /nfs/dbraw/zinc/19/73/38/1126197338.db2.gz VQVAACJHYLZXGC-LJQANCHMSA-N 1 1 425.554 3.838 20 0 IHADMO C[N@@H+](Cc1ccc(N2CCO[C@@H](c3ncn4c3cccc4Br)C2)nc1)C1CC1 ZINC001164416307 718890944 /nfs/dbraw/zinc/89/09/44/718890944.db2.gz DFZPFDULDJBAPB-GOSISDBHSA-N 1 1 442.361 3.664 20 0 IHADMO Clc1nnc(Cl)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1N1CCOCC1 ZINC001164627433 719114101 /nfs/dbraw/zinc/11/41/01/719114101.db2.gz KLKOCBPGJFKXNA-MSOLQXFVSA-N 1 1 448.398 3.721 20 0 IHADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1[C@@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164638773 719214091 /nfs/dbraw/zinc/21/40/91/719214091.db2.gz PDOZKALOKTVBIJ-PZPWOCDFSA-N 1 1 438.378 3.946 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CC2 ZINC001164647009 719308427 /nfs/dbraw/zinc/30/84/27/719308427.db2.gz JRNQFWCMOHRPPA-UHFFFAOYSA-N 1 1 445.011 3.763 20 0 IHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@H]43)C2)cc1 ZINC001164662767 719342894 /nfs/dbraw/zinc/34/28/94/719342894.db2.gz RXAMWLSLWILFBC-CYXNTTPDSA-N 1 1 448.611 3.978 20 0 IHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@H]43)C2)cc1 ZINC001164662767 719342899 /nfs/dbraw/zinc/34/28/99/719342899.db2.gz RXAMWLSLWILFBC-CYXNTTPDSA-N 1 1 448.611 3.978 20 0 IHADMO Cn1ncc2c1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C[C@@H]2COc1cccnc1 ZINC001164687117 719597332 /nfs/dbraw/zinc/59/73/32/719597332.db2.gz RDWPXLGBNMWCKO-GOSISDBHSA-N 1 1 438.963 3.642 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3nnc(COc4ccccn4)n3CC2)nc1 ZINC001164686493 719686639 /nfs/dbraw/zinc/68/66/39/719686639.db2.gz NTXGZWCLBYHWEI-OAQYLSRUSA-N 1 1 447.587 3.647 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1c(OC)ccc3c(Cl)cc(Cl)nc31)CC2 ZINC001164683606 719728144 /nfs/dbraw/zinc/72/81/44/719728144.db2.gz AXYNXDUOGVDXBI-UHFFFAOYSA-N 1 1 437.371 3.731 20 0 IHADMO COC(=O)c1ccc2nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)ncc2c1 ZINC001164691764 719805308 /nfs/dbraw/zinc/80/53/08/719805308.db2.gz JUKKMDMCIDDQTF-UHFFFAOYSA-N 1 1 437.569 3.816 20 0 IHADMO COC[C@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)Cc2cn(C)nc21 ZINC001164693332 719832301 /nfs/dbraw/zinc/83/23/01/719832301.db2.gz ABZTWTMTPPOUJL-GOSISDBHSA-N 1 1 440.617 3.778 20 0 IHADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164702820 719885945 /nfs/dbraw/zinc/88/59/45/719885945.db2.gz RALFQFWEMSJCQD-UHFFFAOYSA-N 1 1 435.977 3.845 20 0 IHADMO c1csc(C[N@H+]2CCOC3(CCN(c4cncc(OCc5ccccc5)n4)CC3)C2)c1 ZINC001164694876 719888384 /nfs/dbraw/zinc/88/83/84/719888384.db2.gz GJPCSTPSAQNXQC-UHFFFAOYSA-N 1 1 436.581 3.989 20 0 IHADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@H]2CCCO[C@H]12 ZINC001164713187 720063388 /nfs/dbraw/zinc/06/33/88/720063388.db2.gz NFOHGRYYQFCPCQ-SVMVAKDDSA-N 1 1 442.629 3.939 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164809229 720076546 /nfs/dbraw/zinc/07/65/46/720076546.db2.gz IYVPMDCHXNIKQY-KSSFIOAISA-N 1 1 432.968 3.582 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccnc31)CC2 ZINC001164712061 720104741 /nfs/dbraw/zinc/10/47/41/720104741.db2.gz UUYOUXUSVMOKPQ-SFHVURJKSA-N 1 1 438.963 3.581 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164715508 720109357 /nfs/dbraw/zinc/10/93/57/720109357.db2.gz GRSOBGXCTNSZFE-KRWDZBQOSA-N 1 1 446.020 3.779 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)ccc31)CC2 ZINC001164716275 720117921 /nfs/dbraw/zinc/11/79/21/720117921.db2.gz KBOVFIKFRDWZQF-FQEVSTJZSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nccnc1Cl)CC2 ZINC001164712194 720135989 /nfs/dbraw/zinc/13/59/89/720135989.db2.gz KVCOMZULYCBXCV-QGZVFWFLSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(SC)nc(SC)n1)CC2 ZINC001164715307 720156124 /nfs/dbraw/zinc/15/61/24/720156124.db2.gz UNBNZEOVBQIGLH-GOSISDBHSA-N 1 1 445.658 3.823 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)C2 ZINC001164816264 720157285 /nfs/dbraw/zinc/15/72/85/720157285.db2.gz KNISMUBISJGAEE-WAIKUNEKSA-N 1 1 425.964 3.949 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001164818499 720173660 /nfs/dbraw/zinc/17/36/60/720173660.db2.gz SXFVUHAKTLKVMA-RDPSFJRHSA-N 1 1 447.023 3.546 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164817842 720176463 /nfs/dbraw/zinc/17/64/63/720176463.db2.gz QKMCGVGTBUGGNE-JYFHCDHNSA-N 1 1 435.568 3.623 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3cc(Cl)ccc31)CCC2 ZINC001164812688 720223042 /nfs/dbraw/zinc/22/30/42/720223042.db2.gz IFNNQOWDRXMOJL-UHFFFAOYSA-N 1 1 447.370 3.744 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(N3CCCC3)cc3ccccc31)CCC2 ZINC001164814623 720238416 /nfs/dbraw/zinc/23/84/16/720238416.db2.gz ZOCLABOTUHCIFK-UHFFFAOYSA-N 1 1 446.599 3.642 20 0 IHADMO Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ccc2C[NH+]2CCCC2)cs1 ZINC001164817062 720254364 /nfs/dbraw/zinc/25/43/64/720254364.db2.gz OQMLSFDITGCAPV-MOPGFXCFSA-N 1 1 446.020 3.866 20 0 IHADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725909 720376851 /nfs/dbraw/zinc/37/68/51/720376851.db2.gz ODGHPWBHAZKJOO-RTBURBONSA-N 1 1 437.931 3.708 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729296 720430336 /nfs/dbraw/zinc/43/03/36/720430336.db2.gz GUMIVMBZELMIJQ-MSOLQXFVSA-N 1 1 442.901 3.985 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729296 720430344 /nfs/dbraw/zinc/43/03/44/720430344.db2.gz GUMIVMBZELMIJQ-MSOLQXFVSA-N 1 1 442.901 3.985 20 0 IHADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731968 720468141 /nfs/dbraw/zinc/46/81/41/720468141.db2.gz YGBLSOGRAZMILC-JKSUJKDBSA-N 1 1 432.862 3.578 20 0 IHADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731968 720468146 /nfs/dbraw/zinc/46/81/46/720468146.db2.gz YGBLSOGRAZMILC-JKSUJKDBSA-N 1 1 432.862 3.578 20 0 IHADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731641 720480876 /nfs/dbraw/zinc/48/08/76/720480876.db2.gz XBJGUTWOEKORLV-IRXDYDNUSA-N 1 1 437.878 3.620 20 0 IHADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731641 720480880 /nfs/dbraw/zinc/48/08/80/720480880.db2.gz XBJGUTWOEKORLV-IRXDYDNUSA-N 1 1 437.878 3.620 20 0 IHADMO O=C(C[C@@H]1OC[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@@H]21)N1CCCCC1 ZINC001164834129 720500823 /nfs/dbraw/zinc/50/08/23/720500823.db2.gz RWRKYKCQFODCMI-HKBOAZHASA-N 1 1 447.023 3.575 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1 ZINC001164728514 720504036 /nfs/dbraw/zinc/50/40/36/720504036.db2.gz GEBASNNSAGRBQJ-SLSDLSHTSA-N 1 1 435.572 3.648 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C(=O)OC(C)(C)C)ccn3)CC[C@@H]21 ZINC001164836716 720516636 /nfs/dbraw/zinc/51/66/36/720516636.db2.gz NNYOJINAUVVWPD-HKBOAZHASA-N 1 1 425.577 3.611 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nnc(Cl)cc3-c3ccncc3)CC[C@@H]21 ZINC001164841724 720516849 /nfs/dbraw/zinc/51/68/49/720516849.db2.gz ZUCZNOZRSINMOQ-DYXWJJEUSA-N 1 1 437.979 3.766 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cncc(OCc4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834328 720519559 /nfs/dbraw/zinc/51/95/59/720519559.db2.gz FPKXAMXIAQPWLT-RJGXRXQPSA-N 1 1 432.572 3.630 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)CC[C@@H]21 ZINC001164834418 720520728 /nfs/dbraw/zinc/52/07/28/720520728.db2.gz GCFYLBUADGGIDQ-YCPHGPKFSA-N 1 1 445.345 3.903 20 0 IHADMO COC(=O)c1ccc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164834568 720531775 /nfs/dbraw/zinc/53/17/75/720531775.db2.gz DYQHJYYYCDFDIZ-MQSCRBSSSA-N 1 1 433.556 3.596 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C(=O)Nc4ccccc4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842543 720547644 /nfs/dbraw/zinc/54/76/44/720547644.db2.gz YCSWATPUQGIAKR-OEMFJLHTSA-N 1 1 444.583 3.908 20 0 IHADMO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c21 ZINC001164835342 720554726 /nfs/dbraw/zinc/55/47/26/720554726.db2.gz GVLGIDLNDAYQFC-YQVWRLOYSA-N 1 1 440.979 3.866 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837323 720555427 /nfs/dbraw/zinc/55/54/27/720555427.db2.gz LQIBCIQXNQZJOG-QWFCFKBJSA-N 1 1 445.995 3.794 20 0 IHADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164838024 720557556 /nfs/dbraw/zinc/55/75/56/720557556.db2.gz NJEUHAYCUCTLFN-BRWVUGGUSA-N 1 1 439.938 3.863 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(Oc4cccc(F)c4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838716 720582892 /nfs/dbraw/zinc/58/28/92/720582892.db2.gz KZBVJGMHTOLFDZ-KAGYGMCKSA-N 1 1 436.535 3.982 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc4c(n3)-c3ccccc3CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836841 720583497 /nfs/dbraw/zinc/58/34/97/720583497.db2.gz HBELHDOFBYRTOA-AOHZBQACSA-N 1 1 428.584 3.817 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(F)cc4ncnc(Cl)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841211 720586585 /nfs/dbraw/zinc/58/65/85/720586585.db2.gz RRSWUSIZQMBIOX-VDZJLULYSA-N 1 1 428.943 3.997 20 0 IHADMO COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cc1 ZINC001164835591 720600502 /nfs/dbraw/zinc/60/05/02/720600502.db2.gz BOFPWTZTECAJPO-AWRGLXIESA-N 1 1 432.572 3.727 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841646 720616987 /nfs/dbraw/zinc/61/69/87/720616987.db2.gz UABQQCQSTWDUOP-YQQAZPJKSA-N 1 1 449.937 3.731 20 0 IHADMO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)s1 ZINC001164843140 720630312 /nfs/dbraw/zinc/63/03/12/720630312.db2.gz WXDHQXIOYQZGAB-IRFCIJBXSA-N 1 1 437.617 3.791 20 0 IHADMO COc1nc(-c2ccccc2)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839765 720697482 /nfs/dbraw/zinc/69/74/82/720697482.db2.gz BQNCFQFIZHZTMW-QFIPXVFZSA-N 1 1 445.567 3.807 20 0 IHADMO CN(C)C(=O)c1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164837554 720715665 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/nfs/dbraw/zinc/81/99/08/720819908.db2.gz LCNXLMNWUOUAHZ-FBBABVLZSA-N 1 1 440.954 3.998 20 0 IHADMO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738110 720828845 /nfs/dbraw/zinc/82/88/45/720828845.db2.gz DSPFUXLMLXYHBB-DCLXLUIPSA-N 1 1 432.572 3.523 20 0 IHADMO Clc1cccc(-c2cccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)n1 ZINC001164738433 720829670 /nfs/dbraw/zinc/82/96/70/720829670.db2.gz FRIZKILCJJNCPZ-XQBPLPMBSA-N 1 1 449.990 3.768 20 0 IHADMO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739259 720830320 /nfs/dbraw/zinc/83/03/20/720830320.db2.gz HWSFNHUKLBEZPD-RZUBCFFCSA-N 1 1 449.990 3.768 20 0 IHADMO CCCCOc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164751906 720843226 /nfs/dbraw/zinc/84/32/26/720843226.db2.gz ZMVVMRFMUDNKFC-NNMXDRDESA-N 1 1 445.011 3.885 20 0 IHADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ncccc4OCc4ccccc4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749542 720845996 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ACJDCWOARVBPSI-XUZZJYLKSA-N 1 1 442.007 3.897 20 0 IHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc4cccnc4n2)C3)c1 ZINC001164756929 720887037 /nfs/dbraw/zinc/88/70/37/720887037.db2.gz SGTPERRTHYFANI-OZXSUGGESA-N 1 1 429.568 3.780 20 0 IHADMO COc1cc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755684 720887803 /nfs/dbraw/zinc/88/78/03/720887803.db2.gz MNZNLCWTHCWNBB-HYBUGGRVSA-N 1 1 442.991 3.894 20 0 IHADMO COc1ccc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754899 720890963 /nfs/dbraw/zinc/89/09/63/720890963.db2.gz JMKBKENSROTPFJ-GBXCKJPGSA-N 1 1 442.991 3.894 20 0 IHADMO c1nc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164755109 720899958 /nfs/dbraw/zinc/89/99/58/720899958.db2.gz KVKPZLUEBSAEGC-YKSBVNFPSA-N 1 1 435.597 3.841 20 0 IHADMO CC(C)(C)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164755178 720911742 /nfs/dbraw/zinc/91/17/42/720911742.db2.gz ZHVHHUQFWSBANJ-BKMJKUGQSA-N 1 1 435.616 3.924 20 0 IHADMO CC(C)Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164748570 720917062 /nfs/dbraw/zinc/91/70/62/720917062.db2.gz HBRDMNKQGUJIJZ-OZXSUGGESA-N 1 1 435.616 3.825 20 0 IHADMO c1coc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164751309 720921032 /nfs/dbraw/zinc/92/10/32/720921032.db2.gz LFNJDTSQPNIDDH-ATIYNZHBSA-N 1 1 445.567 3.887 20 0 IHADMO COc1ccnc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755124 720926850 /nfs/dbraw/zinc/92/68/50/720926850.db2.gz YKIDMPFITQWPHT-YKSBVNFPSA-N 1 1 442.991 3.894 20 0 IHADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164864218 720971246 /nfs/dbraw/zinc/97/12/46/720971246.db2.gz ZUULPLMOCWJCOF-LBPRGKRZSA-N 1 1 441.363 3.578 20 0 IHADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164857115 720972702 /nfs/dbraw/zinc/97/27/02/720972702.db2.gz CKORVVNIUXFLIU-CYBMUJFWSA-N 1 1 441.910 3.684 20 0 IHADMO 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Clc1ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nc2c1 ZINC001164868120 721074471 /nfs/dbraw/zinc/07/44/71/721074471.db2.gz MJFKXYHPLYFWFV-IRXDYDNUSA-N 1 1 430.339 3.811 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164774110 721093287 /nfs/dbraw/zinc/09/32/87/721093287.db2.gz YVLBIWIMENVDRA-HZPDHXFCSA-N 1 1 432.906 3.520 20 0 IHADMO FC(F)(c1nc2ccccc2nc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866976 721109107 /nfs/dbraw/zinc/10/91/07/721109107.db2.gz WBGMVNWVZCUKMT-IRXDYDNUSA-N 1 1 445.901 3.703 20 0 IHADMO CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164770860 721184560 /nfs/dbraw/zinc/18/45/60/721184560.db2.gz OYVVKKFGVRWNEZ-CABCVRRESA-N 1 1 427.952 3.694 20 0 IHADMO FC(F)(N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164871767 721191716 /nfs/dbraw/zinc/19/17/16/721191716.db2.gz ZWYZDIDCLPQFQX-RTBURBONSA-N 1 1 434.918 3.730 20 0 IHADMO Cc1nc2sc3c(c2c(N2C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C2)n1)CCCCC3 ZINC001164762686 721201851 /nfs/dbraw/zinc/20/18/51/721201851.db2.gz DDKGXXMBMHLMKL-MOPGFXCFSA-N 1 1 436.629 3.960 20 0 IHADMO CCN1C(=O)[C@]2(CC[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]32)N=C1C ZINC001164872886 721227890 /nfs/dbraw/zinc/22/78/90/721227890.db2.gz OWDROBHRDPHSFA-VBANMALSSA-N 1 1 443.595 3.505 20 0 IHADMO COc1cc2c(cc1F)cc(Cl)nc2N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164766511 721249770 /nfs/dbraw/zinc/24/97/70/721249770.db2.gz UPDHMZOTGNDDOI-WBVHZDCISA-N 1 1 429.927 3.728 20 0 IHADMO C[N@@H+](Cc1ccc(N2CC[C@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1)C1CC1 ZINC001164872028 721258957 /nfs/dbraw/zinc/25/89/57/721258957.db2.gz CPMSCUXPXPVGGL-BVAGGSTKSA-N 1 1 434.584 3.624 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc(C4CC4)n3)C2)C1 ZINC001164778442 721336728 /nfs/dbraw/zinc/33/67/28/721336728.db2.gz WQXWTCDXULPAAT-QFIPXVFZSA-N 1 1 431.968 3.731 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc(C4CC4)n3)C2)C1 ZINC001164778442 721336731 /nfs/dbraw/zinc/33/67/31/721336731.db2.gz WQXWTCDXULPAAT-QFIPXVFZSA-N 1 1 431.968 3.731 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccccc4)nn3)C2)C1 ZINC001164776346 721339581 /nfs/dbraw/zinc/33/95/81/721339581.db2.gz ARBFIVFZUHODNY-RUZDIDTESA-N 1 1 433.556 3.867 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccccc4)nn3)C2)C1 ZINC001164776346 721339583 /nfs/dbraw/zinc/33/95/83/721339583.db2.gz ARBFIVFZUHODNY-RUZDIDTESA-N 1 1 433.556 3.867 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164778190 721350623 /nfs/dbraw/zinc/35/06/23/721350623.db2.gz KKLJYLCRFRCNPD-LEWJYISDSA-N 1 1 438.931 3.586 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164778190 721350628 /nfs/dbraw/zinc/35/06/28/721350628.db2.gz KKLJYLCRFRCNPD-LEWJYISDSA-N 1 1 438.931 3.586 20 0 IHADMO CSc1cnc(Cl)nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778561 721352186 /nfs/dbraw/zinc/35/21/86/721352186.db2.gz NGOCSYYRHFIQHB-FQEVSTJZSA-N 1 1 437.997 3.576 20 0 IHADMO CSc1cnc(Cl)nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778561 721352192 /nfs/dbraw/zinc/35/21/92/721352192.db2.gz NGOCSYYRHFIQHB-FQEVSTJZSA-N 1 1 437.997 3.576 20 0 IHADMO CSc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(SC)n1 ZINC001164780684 721375741 /nfs/dbraw/zinc/37/57/41/721375741.db2.gz IBSFXDMNAPRZLQ-NRFANRHFSA-N 1 1 449.646 3.644 20 0 IHADMO CSc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(SC)n1 ZINC001164780684 721375744 /nfs/dbraw/zinc/37/57/44/721375744.db2.gz IBSFXDMNAPRZLQ-NRFANRHFSA-N 1 1 449.646 3.644 20 0 IHADMO c1csc(CN2C[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]3C2)n1 ZINC001164781628 721403384 /nfs/dbraw/zinc/40/33/84/721403384.db2.gz CIKBOWPUGRSMDA-SZPZYZBQSA-N 1 1 431.609 3.665 20 0 IHADMO Fc1cccc(Cn2ccc3c2ncnc3N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164788902 721413126 /nfs/dbraw/zinc/41/31/26/721413126.db2.gz SNGXNRGXYIJZGD-ROUUACIJSA-N 1 1 434.544 3.643 20 0 IHADMO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164883669 721419211 /nfs/dbraw/zinc/41/92/11/721419211.db2.gz BSINWECGXPBPIL-NTKDMRAZSA-N 1 1 429.008 3.962 20 0 IHADMO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164897821 721425646 /nfs/dbraw/zinc/42/56/46/721425646.db2.gz UTEXWTJUMJNGIH-HYBUGGRVSA-N 1 1 429.008 3.962 20 0 IHADMO Cc1c(Cl)ccc2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc21 ZINC001164896202 721427995 /nfs/dbraw/zinc/42/79/95/721427995.db2.gz RBMBIURTDSKSSP-RDPSFJRHSA-N 1 1 429.008 3.962 20 0 IHADMO CC(C)c1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc(C(C)(C)C)n1 ZINC001164894864 721441511 /nfs/dbraw/zinc/44/15/11/721441511.db2.gz MTAMQYJBSLLIQG-CPJSRVTESA-N 1 1 429.653 3.663 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c(F)cccc45)C3)O2)CC1 ZINC001164884944 721450661 /nfs/dbraw/zinc/45/06/61/721450661.db2.gz CXIVXWQBRNCJDR-HXOBKFHXSA-N 1 1 432.971 3.793 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cc(OC)ccc3n1)CC2 ZINC001164783290 721456117 /nfs/dbraw/zinc/45/61/17/721456117.db2.gz BHKKLNZUZPTCHN-QFIPXVFZSA-N 1 1 439.600 3.977 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)c3ccccc3n1)CC2 ZINC001164784805 721463720 /nfs/dbraw/zinc/46/37/20/721463720.db2.gz KJRXYCQPNQOOQM-NRFANRHFSA-N 1 1 439.600 3.977 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1ccn3C(C)C)CC2 ZINC001164790155 721464456 /nfs/dbraw/zinc/46/44/56/721464456.db2.gz ZTABAIRZHDEOLZ-NRFANRHFSA-N 1 1 441.620 3.746 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)cnc1Cl)CC2 ZINC001164789280 721465158 /nfs/dbraw/zinc/46/51/58/721465158.db2.gz WJCISRGROJHWPE-QGZVFWFLSA-N 1 1 441.041 3.586 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(CNc4cccnc4)c3C2)nc1 ZINC001164793850 721475513 /nfs/dbraw/zinc/47/55/13/721475513.db2.gz YSWJHRGEORGJQD-QFIPXVFZSA-N 1 1 432.576 3.637 20 0 IHADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900349 721513022 /nfs/dbraw/zinc/51/30/22/721513022.db2.gz QWAGGRNJGYSKHT-SJLPKXTDSA-N 1 1 433.911 3.701 20 0 IHADMO CSc1nc(Cl)cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164896315 721514359 /nfs/dbraw/zinc/51/43/59/721514359.db2.gz AZFICAIFSOWYEJ-HIFRSBDPSA-N 1 1 444.910 3.878 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164809562 721528755 /nfs/dbraw/zinc/52/87/55/721528755.db2.gz VKBRVOFSQWYZHM-CPUCHLNUSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164809562 721528758 /nfs/dbraw/zinc/52/87/58/721528758.db2.gz VKBRVOFSQWYZHM-CPUCHLNUSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164806031 721532652 /nfs/dbraw/zinc/53/26/52/721532652.db2.gz NHZQKUDLDMXLBU-ZCNNSNEGSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164806031 721532654 /nfs/dbraw/zinc/53/26/54/721532654.db2.gz NHZQKUDLDMXLBU-ZCNNSNEGSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(F)c(F)cc3nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164807182 721547706 /nfs/dbraw/zinc/54/77/06/721547706.db2.gz PYQFGEXWYOEDPG-VAMGGRTRSA-N 1 1 445.901 3.825 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(F)c(F)cc3nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164807182 721547708 /nfs/dbraw/zinc/54/77/08/721547708.db2.gz PYQFGEXWYOEDPG-VAMGGRTRSA-N 1 1 445.901 3.825 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)[C@@H]2CCCO[C@@H]12 ZINC001164805126 721551407 /nfs/dbraw/zinc/55/14/07/721551407.db2.gz KZGRNTSWQRZSAJ-JFIYKMOQSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)[C@@H]2CCCO[C@@H]12 ZINC001164805126 721551411 /nfs/dbraw/zinc/55/14/11/721551411.db2.gz KZGRNTSWQRZSAJ-JFIYKMOQSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)[C@H]2CCCO[C@@H]12 ZINC001164805130 721551819 /nfs/dbraw/zinc/55/18/19/721551819.db2.gz KZGRNTSWQRZSAJ-LZLYRXPVSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)[C@H]2CCCO[C@@H]12 ZINC001164805130 721551825 /nfs/dbraw/zinc/55/18/25/721551825.db2.gz KZGRNTSWQRZSAJ-LZLYRXPVSA-N 1 1 426.870 3.682 20 0 IHADMO CCOC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc2ccccc21 ZINC001164803687 721552248 /nfs/dbraw/zinc/55/22/48/721552248.db2.gz ISMRPAGDCXWNMB-SONWIMMPSA-N 1 1 446.551 3.675 20 0 IHADMO Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164909214 721561590 /nfs/dbraw/zinc/56/15/90/721561590.db2.gz SYPNUVWMOMZDSQ-UNMCSNQZSA-N 1 1 447.514 3.518 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)CC[N@H+]3C2)c1 ZINC001164907543 721564971 /nfs/dbraw/zinc/56/49/71/721564971.db2.gz OERYKYKLIJEZQH-PKOBYXMFSA-N 1 1 425.895 3.673 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cc3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164804691 721569850 /nfs/dbraw/zinc/56/98/50/721569850.db2.gz MEXUUBJNKGGGEI-ZDXQCDESSA-N 1 1 449.986 3.984 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cc3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164804691 721569854 /nfs/dbraw/zinc/56/98/54/721569854.db2.gz MEXUUBJNKGGGEI-ZDXQCDESSA-N 1 1 449.986 3.984 20 0 IHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@H]3C(=O)N(C)C)CC2)n1 ZINC001164903955 721570925 /nfs/dbraw/zinc/57/09/25/721570925.db2.gz SRIFCPQXSUQXHW-KRWDZBQOSA-N 1 1 429.634 3.845 20 0 IHADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCC3 ZINC001164805741 721576367 /nfs/dbraw/zinc/57/63/67/721576367.db2.gz OQLMLGFETFUGBR-DXIQSLLYSA-N 1 1 435.597 3.752 20 0 IHADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCC3 ZINC001164805741 721576369 /nfs/dbraw/zinc/57/63/69/721576369.db2.gz OQLMLGFETFUGBR-DXIQSLLYSA-N 1 1 435.597 3.752 20 0 IHADMO CSc1ncc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907863 721722122 /nfs/dbraw/zinc/72/21/22/721722122.db2.gz UWFDMSGOJZKNCS-SFHVURJKSA-N 1 1 425.936 3.985 20 0 IHADMO FC1(F)CCN(c2nc[nH]c3nc(=S)sc2-3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907402 721722324 /nfs/dbraw/zinc/72/23/24/721722324.db2.gz ROWZVXOVQNDJAW-SFHVURJKSA-N 1 1 434.541 3.508 20 0 IHADMO COc1nnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c2ccccc21 ZINC001164904863 721722952 /nfs/dbraw/zinc/72/29/52/721722952.db2.gz DPBKENVHOXATFM-JOCHJYFZSA-N 1 1 425.483 3.771 20 0 IHADMO COc1nnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c2ccccc21 ZINC001164904866 721723350 /nfs/dbraw/zinc/72/33/50/721723350.db2.gz DPBKENVHOXATFM-QFIPXVFZSA-N 1 1 425.483 3.771 20 0 IHADMO FC1(F)CCN(c2ccnc(N3CCCCC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908640 721723603 /nfs/dbraw/zinc/72/36/03/721723603.db2.gz YIPQMKMRLVQFFI-JOCHJYFZSA-N 1 1 428.531 3.600 20 0 IHADMO CC(C)n1cnc2cnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164910605 721724503 /nfs/dbraw/zinc/72/45/03/721724503.db2.gz GTOWLCFROGYVMB-NRFANRHFSA-N 1 1 427.503 3.540 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001164909015 721756178 /nfs/dbraw/zinc/75/61/78/721756178.db2.gz CHMOZPAYNZOCKF-UHFFFAOYSA-N 1 1 435.528 3.615 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001164909015 721756181 /nfs/dbraw/zinc/75/61/81/721756181.db2.gz CHMOZPAYNZOCKF-UHFFFAOYSA-N 1 1 435.528 3.615 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164911220 721761884 /nfs/dbraw/zinc/76/18/84/721761884.db2.gz ODYASKVTYQHQAH-UHFFFAOYSA-N 1 1 449.889 3.780 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164911220 721761886 /nfs/dbraw/zinc/76/18/86/721761886.db2.gz ODYASKVTYQHQAH-UHFFFAOYSA-N 1 1 449.889 3.780 20 0 IHADMO Cc1cccc2cc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164915235 721799683 /nfs/dbraw/zinc/79/96/83/721799683.db2.gz UJCKVCMOJXSKLW-XMMPIXPASA-N 1 1 438.959 3.699 20 0 IHADMO Cc1cccc2cc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164915235 721799685 /nfs/dbraw/zinc/79/96/85/721799685.db2.gz UJCKVCMOJXSKLW-XMMPIXPASA-N 1 1 438.959 3.699 20 0 IHADMO COC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165026137 721803963 /nfs/dbraw/zinc/80/39/63/721803963.db2.gz PYGJACPMSPRAFI-ZEYPLWLESA-N 1 1 431.540 3.548 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)C[C@@H]21 ZINC001165026346 721804777 /nfs/dbraw/zinc/80/47/77/721804777.db2.gz QUPWMBYMEKBIPB-YZGWKJHDSA-N 1 1 438.576 3.956 20 0 IHADMO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ncc21 ZINC001165025909 721807168 /nfs/dbraw/zinc/80/71/68/721807168.db2.gz PVIPZFTWCRJGOL-HYVJGQCMSA-N 1 1 431.540 3.548 20 0 IHADMO COc1cc2ncc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2cc1OC ZINC001165020771 721810288 /nfs/dbraw/zinc/81/02/88/721810288.db2.gz CWERIWZWZTYKEP-LRXVAGHRSA-N 1 1 433.556 3.779 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)COc3ccc(Cl)nn3)C[C@H]21 ZINC001165027287 721823919 /nfs/dbraw/zinc/82/39/19/721823919.db2.gz RVLKFVYTXVKETN-KBAYOESNSA-N 1 1 437.922 3.729 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)C[C@H]21 ZINC001165019084 721828615 /nfs/dbraw/zinc/82/86/15/721828615.db2.gz AUBYNVZONXIASQ-FVQBIDKESA-N 1 1 444.370 3.859 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc(Cl)nn2)CC1 ZINC001165021401 721838962 /nfs/dbraw/zinc/83/89/62/721838962.db2.gz MHEIMNQHTSYNJG-UHFFFAOYSA-N 1 1 426.895 3.793 20 0 IHADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164923129 721866598 /nfs/dbraw/zinc/86/65/98/721866598.db2.gz IHQHRBNCFNBAHP-HUUCEWRRSA-N 1 1 430.330 3.696 20 0 IHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164923129 721866602 /nfs/dbraw/zinc/86/66/02/721866602.db2.gz IHQHRBNCFNBAHP-HUUCEWRRSA-N 1 1 430.330 3.696 20 0 IHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@@H]5[C@@H]3CCC(=O)N5C)n2)CCC4)CC1 ZINC001164933952 721893399 /nfs/dbraw/zinc/89/33/99/721893399.db2.gz NQCYHBPCQXLGJR-MSOLQXFVSA-N 1 1 439.629 3.611 20 0 IHADMO O=C(c1cc(Cl)nc(N2CC[NH+](CCOc3ccccc3)CC2)c1)N1CCCCC1 ZINC001165044178 721954204 /nfs/dbraw/zinc/95/42/04/721954204.db2.gz HQSZFZREGMRYLP-UHFFFAOYSA-N 1 1 428.964 3.562 20 0 IHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cccc(OCc3ccccc3)n1)CC2 ZINC001164945055 721976745 /nfs/dbraw/zinc/97/67/45/721976745.db2.gz BGNHDHZDBNGSKN-UHFFFAOYSA-N 1 1 442.563 3.632 20 0 IHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cccc(OCc3ccccc3)n1)CC2 ZINC001164945055 721976748 /nfs/dbraw/zinc/97/67/48/721976748.db2.gz BGNHDHZDBNGSKN-UHFFFAOYSA-N 1 1 442.563 3.632 20 0 IHADMO COC[C@]12COC[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164954453 721994953 /nfs/dbraw/zinc/99/49/53/721994953.db2.gz VWNWFJFKKHNBHZ-MZNJEOGPSA-N 1 1 442.629 3.655 20 0 IHADMO CCOC(=O)c1cc2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2s1 ZINC001164955230 722019944 /nfs/dbraw/zinc/01/99/44/722019944.db2.gz AYWKUACNGIIJQM-UHFFFAOYSA-N 1 1 437.569 3.756 20 0 IHADMO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2ccc(C[N@H+](C)C4CC4)cn2)C3)n1 ZINC001164959843 722027349 /nfs/dbraw/zinc/02/73/49/722027349.db2.gz IYTDQPTZBGDZMJ-AOYPEHQESA-N 1 1 436.600 3.972 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)nc1 ZINC001164956135 722035252 /nfs/dbraw/zinc/03/52/52/722035252.db2.gz CCZNAGQRSAARLJ-PLXFJCCSSA-N 1 1 433.600 3.946 20 0 IHADMO CSc1nc2c(c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n1)CCCC2 ZINC001164962536 722055042 /nfs/dbraw/zinc/05/50/42/722055042.db2.gz FHRBMVASRVJWNF-UHFFFAOYSA-N 1 1 439.629 3.591 20 0 IHADMO Fc1ccc2c(Cl)nnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164963464 722061212 /nfs/dbraw/zinc/06/12/12/722061212.db2.gz YYQUKQMWVCZLQA-UHFFFAOYSA-N 1 1 441.938 3.936 20 0 IHADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965809 722069011 /nfs/dbraw/zinc/06/90/11/722069011.db2.gz OECSOBHJCNZLPI-OYRHEFFESA-N 1 1 446.551 3.517 20 0 IHADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967276 722072573 /nfs/dbraw/zinc/07/25/73/722072573.db2.gz LXYZFYRJIMMENH-OKILXGFUSA-N 1 1 429.298 3.781 20 0 IHADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967276 722072575 /nfs/dbraw/zinc/07/25/75/722072575.db2.gz LXYZFYRJIMMENH-OKILXGFUSA-N 1 1 429.298 3.781 20 0 IHADMO Fc1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164977176 722104426 /nfs/dbraw/zinc/10/44/26/722104426.db2.gz DVRMVTTUIDYYNC-WBVHZDCISA-N 1 1 426.870 3.541 20 0 IHADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982710 722118424 /nfs/dbraw/zinc/11/84/24/722118424.db2.gz XTXKIHDWTCDHAA-QFBILLFUSA-N 1 1 447.917 3.884 20 0 IHADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982706 722118544 /nfs/dbraw/zinc/11/85/44/722118544.db2.gz XTXKIHDWTCDHAA-APWZRJJASA-N 1 1 447.917 3.884 20 0 IHADMO c1ccc(COc2cccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164981139 722133107 /nfs/dbraw/zinc/13/31/07/722133107.db2.gz OQPFGBGGIYWFSD-DNQXCXABSA-N 1 1 430.552 3.783 20 0 IHADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973904 722154166 /nfs/dbraw/zinc/15/41/66/722154166.db2.gz NMGDSDWGXHNNLX-YKSBVNFPSA-N 1 1 433.531 3.713 20 0 IHADMO Clc1nc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C2CC2)n1 ZINC001164972610 722156101 /nfs/dbraw/zinc/15/61/01/722156101.db2.gz IRLRMWHXCWYFCS-DLBZAZTESA-N 1 1 434.371 3.783 20 0 IHADMO CC(=O)N1CC2(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC2)c2cc(C)ccc21 ZINC001164991125 722189731 /nfs/dbraw/zinc/18/97/31/722189731.db2.gz ZJTDLYFYYCQORS-UHFFFAOYSA-N 1 1 434.584 3.768 20 0 IHADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997180 722206749 /nfs/dbraw/zinc/20/67/49/722206749.db2.gz WRSXQUWGWWHHIP-HXUWFJFHSA-N 1 1 438.881 3.763 20 0 IHADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164997180 722206751 /nfs/dbraw/zinc/20/67/51/722206751.db2.gz WRSXQUWGWWHHIP-HXUWFJFHSA-N 1 1 438.881 3.763 20 0 IHADMO Cc1ccccc1NC(=O)Cc1nc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cs1 ZINC001473838855 1126199412 /nfs/dbraw/zinc/19/94/12/1126199412.db2.gz LLMVXMPKSZGPOQ-QHCPKHFHSA-N 1 1 427.545 3.855 20 0 IHADMO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC001621462956 1126246490 /nfs/dbraw/zinc/24/64/90/1126246490.db2.gz KDPSLMCFLRAUJA-HSZRJFAPSA-N 1 1 425.554 3.920 20 0 IHADMO COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164431047 718955086 /nfs/dbraw/zinc/95/50/86/718955086.db2.gz ZTBOADZQLXBNKP-XMMPIXPASA-N 1 1 448.611 3.677 20 0 IHADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(Cc2noc3c2CNCC3)c2ncccn2)nc1 ZINC001164636656 719267174 /nfs/dbraw/zinc/26/71/74/719267174.db2.gz JNESECWXGMSOBH-OAQYLSRUSA-N 1 1 433.560 3.781 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2noc3c2CNCC3)c2ncccn2)nc1 ZINC001164636656 719267182 /nfs/dbraw/zinc/26/71/82/719267182.db2.gz JNESECWXGMSOBH-OAQYLSRUSA-N 1 1 433.560 3.781 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)n1 ZINC001164645008 719293654 /nfs/dbraw/zinc/29/36/54/719293654.db2.gz AEDCSKOXDRLGGK-ONTIZHBOSA-N 1 1 428.964 3.679 20 0 IHADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N(C)C)nc(C)[nH+]1)CC2 ZINC001164663411 719346158 /nfs/dbraw/zinc/34/61/58/719346158.db2.gz GEPSWCNTVCLQSO-UHFFFAOYSA-N 1 1 431.588 3.546 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164691063 719757711 /nfs/dbraw/zinc/75/77/11/719757711.db2.gz KQXDYPHZIOMZSF-UHFFFAOYSA-N 1 1 440.966 3.730 20 0 IHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2cc(Cl)ccc21 ZINC001164698625 719849086 /nfs/dbraw/zinc/84/90/86/719849086.db2.gz GGKYGYNNIYGHNG-QVKFZJNVSA-N 1 1 438.355 3.774 20 0 IHADMO COc1cc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2cc1OC ZINC001164695721 719888291 /nfs/dbraw/zinc/88/82/91/719888291.db2.gz SNCDHHKKPOMMBW-UHFFFAOYSA-N 1 1 440.569 3.580 20 0 IHADMO CC(C)(C)NC(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164697504 719893098 /nfs/dbraw/zinc/89/30/98/719893098.db2.gz KFXXVOVOSFKNJA-UHFFFAOYSA-N 1 1 428.602 3.543 20 0 IHADMO CC1CCN(c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)CC1 ZINC001164705336 719898592 /nfs/dbraw/zinc/89/85/92/719898592.db2.gz ACFBFGOXVYKFPM-UHFFFAOYSA-N 1 1 427.618 3.646 20 0 IHADMO c1csc(C[N@H+]2CCOC3(CCN(c4ncnc5c4ncn5-c4ccccc4)CC3)C2)c1 ZINC001164706949 719904771 /nfs/dbraw/zinc/90/47/71/719904771.db2.gz MBFKMXRDDRODDC-UHFFFAOYSA-N 1 1 446.580 3.748 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1 ZINC001164801760 720051662 /nfs/dbraw/zinc/05/16/62/720051662.db2.gz GOVVNLCPZDGFQD-JBRSBNLGSA-N 1 1 439.604 3.670 20 0 IHADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@@H]2CCCO[C@H]12 ZINC001164713180 720063494 /nfs/dbraw/zinc/06/34/94/720063494.db2.gz NFOHGRYYQFCPCQ-HMFYCAOWSA-N 1 1 442.629 3.939 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)c(NCC3CC3)n1)CC2 ZINC001164709758 720092674 /nfs/dbraw/zinc/09/26/74/720092674.db2.gz CZHRMKUUEKMMLR-JOCHJYFZSA-N 1 1 436.604 3.509 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(F)c31)CC2 ZINC001164711004 720094131 /nfs/dbraw/zinc/09/41/31/720094131.db2.gz MSYMRQMFPSWJNK-MRXNPFEDSA-N 1 1 444.942 3.653 20 0 IHADMO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001164805902 720096943 /nfs/dbraw/zinc/09/69/43/720096943.db2.gz ANFZVNOFJAFPLE-LEAFIULHSA-N 1 1 446.639 3.825 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001164805902 720096951 /nfs/dbraw/zinc/09/69/51/720096951.db2.gz ANFZVNOFJAFPLE-LEAFIULHSA-N 1 1 446.639 3.825 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164709634 720104923 /nfs/dbraw/zinc/10/49/23/720104923.db2.gz BQBUNKBXURLCRY-LJQANCHMSA-N 1 1 442.007 3.911 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164718613 720107311 /nfs/dbraw/zinc/10/73/11/720107311.db2.gz TWJUNUXSWYPRDP-RXVVDRJESA-N 1 1 434.943 3.765 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164718568 720118259 /nfs/dbraw/zinc/11/82/59/720118259.db2.gz SLQAGRJHVJVGRS-GHTZIAJQSA-N 1 1 434.943 3.765 20 0 IHADMO CCOCc1cnc(Cl)nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164713615 720133895 /nfs/dbraw/zinc/13/38/95/720133895.db2.gz SZIBIBZOYXHRHA-FQEVSTJZSA-N 1 1 445.995 3.569 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164817115 720149525 /nfs/dbraw/zinc/14/95/25/720149525.db2.gz OAKSETJFAMRIRG-RDPSFJRHSA-N 1 1 426.992 3.906 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164816371 720190591 /nfs/dbraw/zinc/19/05/91/720190591.db2.gz LDGPTVXSGGBWLV-NTKDMRAZSA-N 1 1 435.597 3.938 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164810890 720199335 /nfs/dbraw/zinc/19/93/35/720199335.db2.gz FJNUUHNRVSJTDN-KDOFPFPSSA-N 1 1 436.330 3.998 20 0 IHADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccccc4)c4ccccc4n3)C2)C1 ZINC001164723270 720283899 /nfs/dbraw/zinc/28/38/99/720283899.db2.gz VTPMLIXISYMFOU-MHZLTWQESA-N 1 1 444.579 3.567 20 0 IHADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccccc4)c4ccccc4n3)C2)C1 ZINC001164723270 720283911 /nfs/dbraw/zinc/28/39/11/720283911.db2.gz VTPMLIXISYMFOU-MHZLTWQESA-N 1 1 444.579 3.567 20 0 IHADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164726738 720351570 /nfs/dbraw/zinc/35/15/70/720351570.db2.gz ROMIAEWIPGOWMF-YADHBBJMSA-N 1 1 447.970 3.913 20 0 IHADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2n1 ZINC001164725228 720356556 /nfs/dbraw/zinc/35/65/56/720356556.db2.gz MSHGLBFQCUYKJQ-NWDGAFQWSA-N 1 1 436.734 3.628 20 0 IHADMO COc1cc2nc(Cl)c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2cc1OC ZINC001164725052 720388958 /nfs/dbraw/zinc/38/89/58/720388958.db2.gz LKYMHFGNOZPHSW-ROUUACIJSA-N 1 1 425.920 3.549 20 0 IHADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)c1 ZINC001164722583 720407766 /nfs/dbraw/zinc/40/77/66/720407766.db2.gz DNRVXJAHPQTPLW-ZWKOTPCHSA-N 1 1 426.883 3.705 20 0 IHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732825 720416029 /nfs/dbraw/zinc/41/60/29/720416029.db2.gz OLSDSKNFYAZJAX-RBUKOAKNSA-N 1 1 431.874 3.956 20 0 IHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732825 720416036 /nfs/dbraw/zinc/41/60/36/720416036.db2.gz OLSDSKNFYAZJAX-RBUKOAKNSA-N 1 1 431.874 3.956 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@@H]3C2)nc1 ZINC001164824928 720423975 /nfs/dbraw/zinc/42/39/75/720423975.db2.gz MSSVAMFMZHFPCM-BXXSPATCSA-N 1 1 428.621 3.632 20 0 IHADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731965 720467957 /nfs/dbraw/zinc/46/79/57/720467957.db2.gz YGBLSOGRAZMILC-HZPDHXFCSA-N 1 1 432.862 3.578 20 0 IHADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731965 720467964 /nfs/dbraw/zinc/46/79/64/720467964.db2.gz YGBLSOGRAZMILC-HZPDHXFCSA-N 1 1 432.862 3.578 20 0 IHADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731640 720481936 /nfs/dbraw/zinc/48/19/36/720481936.db2.gz XBJGUTWOEKORLV-IAGOWNOFSA-N 1 1 437.878 3.620 20 0 IHADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731640 720481957 /nfs/dbraw/zinc/48/19/57/720481957.db2.gz XBJGUTWOEKORLV-IAGOWNOFSA-N 1 1 437.878 3.620 20 0 IHADMO C[N@@H+](Cc1ccc(N2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1)C1CC1 ZINC001164730185 720494941 /nfs/dbraw/zinc/49/49/41/720494941.db2.gz SSORTUNUFNGNSY-CJFMBICVSA-N 1 1 440.563 3.539 20 0 IHADMO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164835339 720506702 /nfs/dbraw/zinc/50/67/02/720506702.db2.gz KEBUWHWIYNNZHZ-CBGDNZLLSA-N 1 1 440.979 3.866 20 0 IHADMO COCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccccc2)n1 ZINC001164833345 720513080 /nfs/dbraw/zinc/51/30/80/720513080.db2.gz DFMPRHNZWHJRFR-YFNKSVMNSA-N 1 1 446.599 3.864 20 0 IHADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834680 720527716 /nfs/dbraw/zinc/52/77/16/720527716.db2.gz HATSHBBLUQIBDH-IPMKNSEASA-N 1 1 445.995 3.794 20 0 IHADMO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2n1 ZINC001164840641 720552744 /nfs/dbraw/zinc/55/27/44/720552744.db2.gz SJYNFRFGIMXHFI-JENIJYKNSA-N 1 1 440.979 3.866 20 0 IHADMO COc1cc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1OC ZINC001164834580 720553263 /nfs/dbraw/zinc/55/32/63/720553263.db2.gz FAQQIQZSGZKADN-KCZVDYSFSA-N 1 1 435.572 3.826 20 0 IHADMO COc1cc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1OC ZINC001164834580 720553275 /nfs/dbraw/zinc/55/32/75/720553275.db2.gz FAQQIQZSGZKADN-KCZVDYSFSA-N 1 1 435.572 3.826 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cncc(Oc4cccc(F)c4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839170 720574545 /nfs/dbraw/zinc/57/45/45/720574545.db2.gz PRQRGEQXDSFYNL-RCZSKKKRSA-N 1 1 436.535 3.982 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(F)cc4ncnc(Cl)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841201 720586096 /nfs/dbraw/zinc/58/60/96/720586096.db2.gz RRSWUSIZQMBIOX-HHXXYDBFSA-N 1 1 428.943 3.997 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccccc4nc3N3CCCC3)CC[C@@H]21 ZINC001164840171 720595189 /nfs/dbraw/zinc/59/51/89/720595189.db2.gz PEJRAQNTRAFHCF-DPLHUUCSSA-N 1 1 445.615 3.804 20 0 IHADMO 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ZINC001164780096 721348722 /nfs/dbraw/zinc/34/87/22/721348722.db2.gz ZPWZFZOZVXMTOA-JOCHJYFZSA-N 1 1 434.968 3.858 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccccc4)ncn3)C2)C1 ZINC001164780819 721365452 /nfs/dbraw/zinc/36/54/52/721365452.db2.gz HWXBDIHVRMGNDF-RUZDIDTESA-N 1 1 433.556 3.867 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccccc4)ncn3)C2)C1 ZINC001164780819 721365453 /nfs/dbraw/zinc/36/54/53/721365453.db2.gz HWXBDIHVRMGNDF-RUZDIDTESA-N 1 1 433.556 3.867 20 0 IHADMO CCCSc1cncc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779927 721368717 /nfs/dbraw/zinc/36/87/17/721368717.db2.gz AREXUJIHMXNHSF-QFIPXVFZSA-N 1 1 431.606 3.703 20 0 IHADMO CCCSc1cncc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779927 721368721 /nfs/dbraw/zinc/36/87/21/721368721.db2.gz AREXUJIHMXNHSF-QFIPXVFZSA-N 1 1 431.606 3.703 20 0 IHADMO COc1cccc2c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)cc(Cl)nc12 ZINC001164894088 721381052 /nfs/dbraw/zinc/38/10/52/721381052.db2.gz XMEZEPAIFKJQHQ-MHECFPHRSA-N 1 1 445.007 3.662 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164892157 721384882 /nfs/dbraw/zinc/38/48/82/721384882.db2.gz RXWKOSYCRDBLCS-APWZRJJASA-N 1 1 449.373 3.699 20 0 IHADMO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164883667 721419071 /nfs/dbraw/zinc/41/90/71/721419071.db2.gz BSINWECGXPBPIL-DVECYGJZSA-N 1 1 429.008 3.962 20 0 IHADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2c(Cl)cccc12 ZINC001164889511 721426204 /nfs/dbraw/zinc/42/62/04/721426204.db2.gz BFCNAVCCTIGGMS-NTKDMRAZSA-N 1 1 429.008 3.962 20 0 IHADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786401 721431224 /nfs/dbraw/zinc/43/12/24/721431224.db2.gz OREWHTIKVIGCBZ-MRUHUIDDSA-N 1 1 445.951 3.949 20 0 IHADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786401 721431228 /nfs/dbraw/zinc/43/12/28/721431228.db2.gz OREWHTIKVIGCBZ-MRUHUIDDSA-N 1 1 445.951 3.949 20 0 IHADMO Clc1nnc(Cl)c(N2CCCCC2)c1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781448 721439811 /nfs/dbraw/zinc/43/98/11/721439811.db2.gz FWRKREKDYJIHQX-OKILXGFUSA-N 1 1 439.416 3.798 20 0 IHADMO Clc1nnc(Cl)c(N2CCCCC2)c1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781448 721439812 /nfs/dbraw/zinc/43/98/12/721439812.db2.gz FWRKREKDYJIHQX-OKILXGFUSA-N 1 1 439.416 3.798 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(Cl)nc4-c4ccccc4)C3)O2)CC1 ZINC001164895430 721440695 /nfs/dbraw/zinc/44/06/95/721440695.db2.gz PADNOPHSWQWJFT-RDPSFJRHSA-N 1 1 442.007 3.562 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3sc(C)cc31)CC2 ZINC001164788646 721448264 /nfs/dbraw/zinc/44/82/64/721448264.db2.gz RYEICIDKLOLSHL-LJQANCHMSA-N 1 1 430.618 3.734 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)Sc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164886542 721451020 /nfs/dbraw/zinc/45/10/20/721451020.db2.gz HCIUANZLYSQYKS-QFBILLFUSA-N 1 1 446.995 3.638 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1Cl)CC2 ZINC001164790579 721451621 /nfs/dbraw/zinc/45/16/21/721451621.db2.gz ZUBQNKNPFUNQFC-INIZCTEOSA-N 1 1 429.392 3.517 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164783454 721452836 /nfs/dbraw/zinc/45/28/36/721452836.db2.gz BTICHIBPHZJZDO-LJQANCHMSA-N 1 1 435.012 3.741 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)ncc1Cl)CC2 ZINC001164785964 721453542 /nfs/dbraw/zinc/45/35/42/721453542.db2.gz KKPGOIDIKSMREE-KRWDZBQOSA-N 1 1 441.041 3.586 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cnc1Cl)CC2 ZINC001164786890 721458304 /nfs/dbraw/zinc/45/83/04/721458304.db2.gz QGPCOSJELDPAQF-INIZCTEOSA-N 1 1 429.392 3.517 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164786745 721460000 /nfs/dbraw/zinc/46/00/00/721460000.db2.gz PHGBOUKXRKAIQQ-GHTZIAJQSA-N 1 1 441.975 3.596 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3cc(F)ccc3n1)CC2 ZINC001164785455 721463736 /nfs/dbraw/zinc/46/37/36/721463736.db2.gz LLZJOWKJKCJHDS-NRFANRHFSA-N 1 1 428.552 3.503 20 0 IHADMO CCc1nc2sccc2c(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789511 721470139 /nfs/dbraw/zinc/47/01/39/721470139.db2.gz NGGJJOMCCKBBCP-IBGZPJMESA-N 1 1 444.645 3.988 20 0 IHADMO COC(=O)c1ccc2nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)ncc2c1 ZINC001164793171 721491506 /nfs/dbraw/zinc/49/15/06/721491506.db2.gz OTEDOLPCNGXVFN-UHFFFAOYSA-N 1 1 431.540 3.692 20 0 IHADMO CN(C)c1nc(-c2ccccc2)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792530 721497279 /nfs/dbraw/zinc/49/72/79/721497279.db2.gz QGAHUNRCULSQTB-UHFFFAOYSA-N 1 1 443.599 3.881 20 0 IHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164796756 721500921 /nfs/dbraw/zinc/50/09/21/721500921.db2.gz WWLUJMDTXCBGCV-UHFFFAOYSA-N 1 1 437.922 3.873 20 0 IHADMO O=C(NC1CCCCC1)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900097 721515204 /nfs/dbraw/zinc/51/52/04/721515204.db2.gz OAOPAOQQPUSGSF-IFMALSPDSA-N 1 1 438.547 3.625 20 0 IHADMO CSc1nc2sccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164803002 721531791 /nfs/dbraw/zinc/53/17/91/721531791.db2.gz HDIYXRCFGDVOBE-BZSNNMDCSA-N 1 1 427.599 3.676 20 0 IHADMO CSc1nc2sccc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164803002 721531792 /nfs/dbraw/zinc/53/17/92/721531792.db2.gz HDIYXRCFGDVOBE-BZSNNMDCSA-N 1 1 427.599 3.676 20 0 IHADMO COc1cc2c(cc1Cl)ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908627 721535702 /nfs/dbraw/zinc/53/57/02/721535702.db2.gz PWAZMXWUTDJTCH-NVXWUHKLSA-N 1 1 428.895 3.773 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)CC[N@H+]3C2)c1 ZINC001164911516 721542670 /nfs/dbraw/zinc/54/26/70/721542670.db2.gz XCCXSEAAWNQSPJ-ZBFHGGJFSA-N 1 1 449.864 3.704 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(Cc3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164809591 721547114 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ZWHIITGCPGCJEO-JOCHJYFZSA-N 1 1 428.531 3.600 20 0 IHADMO COC(=O)c1cc(Cl)cnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908896 721746017 /nfs/dbraw/zinc/74/60/17/721746017.db2.gz NTCGKMPRIFKVOU-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COC(=O)c1cc(Cl)cnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908896 721746022 /nfs/dbraw/zinc/74/60/22/721746022.db2.gz NTCGKMPRIFKVOU-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO Cc1ccc2cc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164915614 721789550 /nfs/dbraw/zinc/78/95/50/721789550.db2.gz LYIGBYOSUKGFNY-DEOSSOPVSA-N 1 1 438.959 3.699 20 0 IHADMO Cc1ccc2cc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164915614 721789552 /nfs/dbraw/zinc/78/95/52/721789552.db2.gz LYIGBYOSUKGFNY-DEOSSOPVSA-N 1 1 438.959 3.699 20 0 IHADMO COC(=O)c1ccc2cnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2c1 ZINC001165028046 721803994 /nfs/dbraw/zinc/80/39/94/721803994.db2.gz XZNZOBVHNHNFNB-IEIRFRATSA-N 1 1 431.540 3.548 20 0 IHADMO CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026035 721814049 /nfs/dbraw/zinc/81/40/49/721814049.db2.gz OVYXBJCFBPJFJJ-VDGAXYAQSA-N 1 1 443.979 3.500 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@H]21 ZINC001165022363 721824288 /nfs/dbraw/zinc/82/42/88/721824288.db2.gz HABJEYDOTDAXJD-NUEKZKHPSA-N 1 1 447.921 3.635 20 0 IHADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164929200 721878029 /nfs/dbraw/zinc/87/80/29/721878029.db2.gz AMEQEHKKJYYVLV-UXHICEINSA-N 1 1 448.640 3.847 20 0 IHADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164929200 721878031 /nfs/dbraw/zinc/87/80/31/721878031.db2.gz AMEQEHKKJYYVLV-UXHICEINSA-N 1 1 448.640 3.847 20 0 IHADMO C[C@@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001165036725 721883653 /nfs/dbraw/zinc/88/36/53/721883653.db2.gz MCDDXPAGJLAENH-CQSZACIVSA-N 1 1 427.599 3.730 20 0 IHADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164934578 721884194 /nfs/dbraw/zinc/88/41/94/721884194.db2.gz SEFHKMZBIHHTOG-UXHICEINSA-N 1 1 437.613 3.719 20 0 IHADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164934578 721884197 /nfs/dbraw/zinc/88/41/97/721884197.db2.gz SEFHKMZBIHHTOG-UXHICEINSA-N 1 1 437.613 3.719 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1 ZINC001164948226 721980623 /nfs/dbraw/zinc/98/06/23/721980623.db2.gz KDVPKPUIFIHFBQ-DEOSSOPVSA-N 1 1 447.627 3.600 20 0 IHADMO c1ccc(Oc2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncn2)cc1 ZINC001164959503 722053759 /nfs/dbraw/zinc/05/37/59/722053759.db2.gz LIMRNKQKJXRYGM-UHFFFAOYSA-N 1 1 431.540 3.783 20 0 IHADMO Fc1ccc2c(c1)[nH]c1ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c21 ZINC001164965933 722062281 /nfs/dbraw/zinc/06/22/81/722062281.db2.gz MISCLCIHTNHZJV-UHFFFAOYSA-N 1 1 446.530 3.764 20 0 IHADMO c1cn(C2CCCC2)c2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971376 722122576 /nfs/dbraw/zinc/12/25/76/722122576.db2.gz BQBRTTLUMMOFOF-OFNKIYASSA-N 1 1 432.572 3.669 20 0 IHADMO c1ccc(COc2cccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164981144 722133113 /nfs/dbraw/zinc/13/31/13/722133113.db2.gz OQPFGBGGIYWFSD-ZEQRLZLVSA-N 1 1 430.552 3.783 20 0 IHADMO CC(C)(C)c1noc(-c2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164977069 722135956 /nfs/dbraw/zinc/13/59/56/722135956.db2.gz IKXZNUJXJPVJLF-RTWAWAEBSA-N 1 1 448.571 3.551 20 0 IHADMO c1ccc(COc2cccnc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164980356 722138821 /nfs/dbraw/zinc/13/88/21/722138821.db2.gz NEWMOPWEBAHPAD-ILBGXUMGSA-N 1 1 430.552 3.783 20 0 IHADMO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983375 722143131 /nfs/dbraw/zinc/14/31/31/722143131.db2.gz USSITKPTZMIKJB-XLIONFOSSA-N 1 1 449.933 3.675 20 0 IHADMO Fc1ccc(Oc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164984204 722146483 /nfs/dbraw/zinc/14/64/83/722146483.db2.gz WJPACMMWSPHWGY-KNQAVFIVSA-N 1 1 435.503 3.530 20 0 IHADMO CCOc1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984263 722147871 /nfs/dbraw/zinc/14/78/71/722147871.db2.gz XCCXMSMHIBQNFJ-DHLKQENFSA-N 1 1 445.567 3.665 20 0 IHADMO CCOc1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984266 722148026 /nfs/dbraw/zinc/14/80/26/722148026.db2.gz XCCXMSMHIBQNFJ-WIOPSUGQSA-N 1 1 445.567 3.665 20 0 IHADMO Fc1ccc2c(Cl)nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981674 722150396 /nfs/dbraw/zinc/15/03/96/722150396.db2.gz PYVACZFUNMQJID-UZLBHIALSA-N 1 1 427.911 3.545 20 0 IHADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2nc4[nH]cnc4c(Cl)n2)C3)c1 ZINC001164995374 722208347 /nfs/dbraw/zinc/20/83/47/722208347.db2.gz MTKQIIHGEBCMEZ-LJQANCHMSA-N 1 1 436.869 3.887 20 0 IHADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2nc4[nH]cnc4c(Cl)n2)C3)c1 ZINC001164995374 722208348 /nfs/dbraw/zinc/20/83/48/722208348.db2.gz MTKQIIHGEBCMEZ-LJQANCHMSA-N 1 1 436.869 3.887 20 0 IHADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)cc2C1 ZINC001164994750 722213601 /nfs/dbraw/zinc/21/36/01/722213601.db2.gz DAFPOLADWHNSTL-CLOONOSVSA-N 1 1 438.547 3.529 20 0 IHADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164998510 722213649 /nfs/dbraw/zinc/21/36/49/722213649.db2.gz WHCBRLLSXUCHBA-QRQCRPRQSA-N 1 1 432.927 3.791 20 0 IHADMO COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(Br)c1O ZINC000680627726 1126105863 /nfs/dbraw/zinc/10/58/63/1126105863.db2.gz QZZYBHGXHXDQNZ-CXAGYDPISA-N 1 1 434.252 3.787 20 0 IHADMO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)cc1 ZINC001474698336 1126205292 /nfs/dbraw/zinc/20/52/92/1126205292.db2.gz RWDIYQMVTNQXQC-XMMPIXPASA-N 1 1 442.991 3.992 20 0 IHADMO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)cc1 ZINC001474698335 1126205302 /nfs/dbraw/zinc/20/53/02/1126205302.db2.gz RWDIYQMVTNQXQC-DEOSSOPVSA-N 1 1 442.991 3.992 20 0 IHADMO CC(C)N1CCN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)CC1 ZINC000012612022 562982743 /nfs/dbraw/zinc/98/27/43/562982743.db2.gz JKTWBYMYMFZEQY-UHFFFAOYSA-N 1 1 435.612 3.939 20 0 IHADMO CCOC(=O)[C@@]12C[C@@H]1CCN2c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164628024 719041994 /nfs/dbraw/zinc/04/19/94/719041994.db2.gz XCXPGRKHEDBKLH-NPMXOYFQSA-N 1 1 426.586 3.698 20 0 IHADMO CC(C)N1Cc2c(nc(Cl)nc2N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC001164624958 719094257 /nfs/dbraw/zinc/09/42/57/719094257.db2.gz FSPIRSBULLWRIF-MJGOQNOKSA-N 1 1 425.964 3.595 20 0 IHADMO CCOC(=O)c1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C(=O)OCC ZINC001164627479 719114236 /nfs/dbraw/zinc/11/42/36/719114236.db2.gz KWINGJTXHNQICW-UGKGYDQZSA-N 1 1 437.540 3.536 20 0 IHADMO CCOC(=O)c1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1C(=O)OCC ZINC001164621628 719114288 /nfs/dbraw/zinc/11/42/88/719114288.db2.gz AJGDCPDXRUMBDX-TZIWHRDSSA-N 1 1 437.540 3.536 20 0 IHADMO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(Cc2noc3c2CNCC3)c2ncccn2)nc1 ZINC001164636654 719266957 /nfs/dbraw/zinc/26/69/57/719266957.db2.gz JNESECWXGMSOBH-NRFANRHFSA-N 1 1 433.560 3.781 20 0 IHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2noc3c2CNCC3)c2ncccn2)nc1 ZINC001164636654 719266960 /nfs/dbraw/zinc/26/69/60/719266960.db2.gz JNESECWXGMSOBH-NRFANRHFSA-N 1 1 433.560 3.781 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164650385 719312666 /nfs/dbraw/zinc/31/26/66/719312666.db2.gz XNXDAAZBXUMPFM-UHFFFAOYSA-N 1 1 435.910 3.625 20 0 IHADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001164690232 719756929 /nfs/dbraw/zinc/75/69/29/719756929.db2.gz WEZZIEWVKJQART-UHFFFAOYSA-N 1 1 443.979 3.666 20 0 IHADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc2ccccc21 ZINC001164701991 719850252 /nfs/dbraw/zinc/85/02/52/719850252.db2.gz MJHVJEKSSGSKQF-IBVKSMDESA-N 1 1 446.551 3.530 20 0 IHADMO CC(C)(C)OC(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164694869 719891825 /nfs/dbraw/zinc/89/18/25/719891825.db2.gz FZOLBJNQDVRXCN-UHFFFAOYSA-N 1 1 429.586 3.970 20 0 IHADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164696993 719892572 /nfs/dbraw/zinc/89/25/72/719892572.db2.gz IUMXPQPGNFASOU-UHFFFAOYSA-N 1 1 435.977 3.845 20 0 IHADMO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696230 719895883 /nfs/dbraw/zinc/89/58/83/719895883.db2.gz CTFFLKYNDWZKLG-WAYWQWQTSA-N 1 1 427.570 3.509 20 0 IHADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@H]2CCCO[C@H]12 ZINC001164710364 720063661 /nfs/dbraw/zinc/06/36/61/720063661.db2.gz FDGQBRNSDCPKNC-SVMVAKDDSA-N 1 1 442.629 3.939 20 0 IHADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)[C@H]2CCCO[C@@H]12 ZINC001164713185 720064233 /nfs/dbraw/zinc/06/42/33/720064233.db2.gz NFOHGRYYQFCPCQ-NJNPRVFISA-N 1 1 442.629 3.939 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164718014 720108546 /nfs/dbraw/zinc/10/85/46/720108546.db2.gz QCEPDHCALIIARX-GOSISDBHSA-N 1 1 440.979 3.822 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001164811557 720139423 /nfs/dbraw/zinc/13/94/23/720139423.db2.gz MLHFUJZENPSIOA-AOMKIAJQSA-N 1 1 447.942 3.641 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc(-c3cccc(F)c3)n1)CC2 ZINC001164710782 720147138 /nfs/dbraw/zinc/14/71/38/720147138.db2.gz CMHKSJHINGUIFR-JOCHJYFZSA-N 1 1 448.546 3.580 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3c4c([nH]c31)CCC4)CC2 ZINC001164714726 720155246 /nfs/dbraw/zinc/15/52/46/720155246.db2.gz YJLKXHALTWPQBO-FQEVSTJZSA-N 1 1 431.584 3.954 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164818168 720167147 /nfs/dbraw/zinc/16/71/47/720167147.db2.gz 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Cc1ccc2cc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164890541 721423324 /nfs/dbraw/zinc/42/33/24/721423324.db2.gz SZNZJWOYTDNTCZ-GBXCKJPGSA-N 1 1 429.008 3.962 20 0 IHADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164786408 721431354 /nfs/dbraw/zinc/43/13/54/721431354.db2.gz OREWHTIKVIGCBZ-QYWGDWMGSA-N 1 1 445.951 3.949 20 0 IHADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164790507 721436867 /nfs/dbraw/zinc/43/68/67/721436867.db2.gz YGFYLCXXZIFDKT-HUUCEWRRSA-N 1 1 443.960 3.956 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3ccc(F)cc31)CC2 ZINC001164785080 721455262 /nfs/dbraw/zinc/45/52/62/721455262.db2.gz GITOWTWDAGHWDB-OAQYLSRUSA-N 1 1 442.579 3.811 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@@H](F)c1ccnc(Cl)c1)CC2 ZINC001164784069 721459631 /nfs/dbraw/zinc/45/96/31/721459631.db2.gz GSAYDKLOVPBWNO-PZJWPPBQSA-N 1 1 425.976 3.933 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164787605 721463065 /nfs/dbraw/zinc/46/30/65/721463065.db2.gz RONNBHJSHZQADN-QGZVFWFLSA-N 1 1 434.968 3.610 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3ccc(OC)cc31)CC2 ZINC001164783648 721464174 /nfs/dbraw/zinc/46/41/74/721464174.db2.gz DZGMOABBLYOTRO-QFIPXVFZSA-N 1 1 439.600 3.977 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3scc(C)c3n1)CC2 ZINC001164787854 721464776 /nfs/dbraw/zinc/46/47/76/721464776.db2.gz SRBOXBIJSVCFBF-IBGZPJMESA-N 1 1 430.618 3.734 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164790621 721470912 /nfs/dbraw/zinc/47/09/12/721470912.db2.gz SNAPJTYKUWOKQF-HSZRJFAPSA-N 1 1 443.632 3.885 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(C)c(C)cc31)CC2 ZINC001164788128 721471010 /nfs/dbraw/zinc/47/10/10/721471010.db2.gz IGIYWSVFNQLZOC-JOCHJYFZSA-N 1 1 438.616 3.981 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3c4c([nH]c31)CCC4)CC2 ZINC001164790020 721471584 /nfs/dbraw/zinc/47/15/84/721471584.db2.gz QAVYVTBWOOKJAA-FQEVSTJZSA-N 1 1 438.616 3.786 20 0 IHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164791643 721490470 /nfs/dbraw/zinc/49/04/70/721490470.db2.gz DGOXWHJAJLIXSR-UHFFFAOYSA-N 1 1 433.600 3.984 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164901223 721495380 /nfs/dbraw/zinc/49/53/80/721495380.db2.gz UPYPTLXHXOXBNI-CGTJXYLNSA-N 1 1 444.008 3.688 20 0 IHADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792264 721496011 /nfs/dbraw/zinc/49/60/11/721496011.db2.gz LXKAWHRVPYVDGS-UHFFFAOYSA-N 1 1 443.979 3.512 20 0 IHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)COc1ccc(Cl)nn1)CC2 ZINC001164795355 721500182 /nfs/dbraw/zinc/50/01/82/721500182.db2.gz GAWXRYKNHLBKIX-UHFFFAOYSA-N 1 1 437.922 3.873 20 0 IHADMO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796629 721504418 /nfs/dbraw/zinc/50/44/18/721504418.db2.gz USQPHFAOHPZLFX-UHFFFAOYSA-N 1 1 442.995 3.546 20 0 IHADMO COc1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164899038 721508915 /nfs/dbraw/zinc/50/89/15/721508915.db2.gz JRVVMWWSLODNIS-QAPCUYQASA-N 1 1 428.895 3.773 20 0 IHADMO CSc1nc(Cl)cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164896317 721514411 /nfs/dbraw/zinc/51/44/11/721514411.db2.gz AZFICAIFSOWYEJ-UKRRQHHQSA-N 1 1 444.910 3.878 20 0 IHADMO CSc1nc(Cl)cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164896314 721514640 /nfs/dbraw/zinc/51/46/40/721514640.db2.gz AZFICAIFSOWYEJ-DZGCQCFKSA-N 1 1 444.910 3.878 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)ncc4Cl)CC[N@H+]3C2)c1 ZINC001164897649 721522009 /nfs/dbraw/zinc/52/20/09/721522009.db2.gz GEAABIIWZHZQPU-GXTWGEPZSA-N 1 1 433.261 3.809 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2F)[C@H]2CCCO[C@@H]12 ZINC001164806599 721528904 /nfs/dbraw/zinc/52/89/04/721528904.db2.gz OXXYASNTDYRWNB-LZLYRXPVSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2F)[C@H]2CCCO[C@@H]12 ZINC001164806599 721528907 /nfs/dbraw/zinc/52/89/07/721528907.db2.gz OXXYASNTDYRWNB-LZLYRXPVSA-N 1 1 426.870 3.682 20 0 IHADMO COc1cc2c(cc1Cl)ncnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908625 721536038 /nfs/dbraw/zinc/53/60/38/721536038.db2.gz PWAZMXWUTDJTCH-DOTOQJQBSA-N 1 1 428.895 3.773 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)CC[N@H+]3C2)c1 ZINC001164911506 721542478 /nfs/dbraw/zinc/54/24/78/721542478.db2.gz XCCXSEAAWNQSPJ-GDBMZVCRSA-N 1 1 449.864 3.704 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164810727 721551439 /nfs/dbraw/zinc/55/14/39/721551439.db2.gz YLXRNHRWDNIFFJ-LNLFQRSKSA-N 1 1 438.906 3.552 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164810727 721551444 /nfs/dbraw/zinc/55/14/44/721551444.db2.gz YLXRNHRWDNIFFJ-LNLFQRSKSA-N 1 1 438.906 3.552 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)CC[N@H+]3C2)c1 ZINC001164911536 721551588 /nfs/dbraw/zinc/55/15/88/721551588.db2.gz ZHCVTQHUSBKLJY-UKRRQHHQSA-N 1 1 434.302 3.813 20 0 IHADMO CCOC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2ccccc21 ZINC001164803680 721552314 /nfs/dbraw/zinc/55/23/14/721552314.db2.gz ISMRPAGDCXWNMB-CUYJMHBOSA-N 1 1 446.551 3.675 20 0 IHADMO COc1cc2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2cc1OC ZINC001164809925 721558720 /nfs/dbraw/zinc/55/87/20/721558720.db2.gz YHGIEGKZXKFDJO-AWRGLXIESA-N 1 1 434.540 3.515 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[N@H+]3C2)c1 ZINC001164908657 721561374 /nfs/dbraw/zinc/56/13/74/721561374.db2.gz RKJITXGOXGMAAB-TZIWHRDSSA-N 1 1 431.515 3.508 20 0 IHADMO CC(C)n1ccc2c1nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164807395 721573988 /nfs/dbraw/zinc/57/39/88/721573988.db2.gz SWZXDFOEBYBNBJ-SLFFLAALSA-N 1 1 440.979 3.929 20 0 IHADMO CC(C)n1ccc2c1nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164807395 721573989 /nfs/dbraw/zinc/57/39/89/721573989.db2.gz SWZXDFOEBYBNBJ-SLFFLAALSA-N 1 1 440.979 3.929 20 0 IHADMO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1NCC1CC1 ZINC001164904416 721582522 /nfs/dbraw/zinc/58/25/22/721582522.db2.gz QBVLAGIBHAEYLF-QFIPXVFZSA-N 1 1 428.531 3.740 20 0 IHADMO CCOC(=O)c1ccc(C)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905767 721583262 /nfs/dbraw/zinc/58/32/62/721583262.db2.gz WSXZEHAMFXQFNB-JOCHJYFZSA-N 1 1 430.499 3.699 20 0 IHADMO CSc1nc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905099 721583907 /nfs/dbraw/zinc/58/39/07/721583907.db2.gz SDECJIJKCUTZLK-GOSISDBHSA-N 1 1 425.936 3.985 20 0 IHADMO CCOC(=O)/C=C/c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906613 721585562 /nfs/dbraw/zinc/58/55/62/721585562.db2.gz NQKDCKGLKBTEJS-UPWIVDSGSA-N 1 1 442.510 3.791 20 0 IHADMO FC(F)(c1cnc(Cl)cn1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906670 721586145 /nfs/dbraw/zinc/58/61/45/721586145.db2.gz OGTGXTJZHKRJDN-QGZVFWFLSA-N 1 1 429.849 3.808 20 0 IHADMO FC(F)(c1cnc(Cl)nc1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904333 721691772 /nfs/dbraw/zinc/69/17/72/721691772.db2.gz FRCVPGFGECARAA-KRWDZBQOSA-N 1 1 429.849 3.808 20 0 IHADMO FC(F)(c1ccc(Cl)nn1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907093 721691979 /nfs/dbraw/zinc/69/19/79/721691979.db2.gz RLQNETPEEYLOLX-KRWDZBQOSA-N 1 1 429.849 3.808 20 0 IHADMO COC(=O)c1cc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907461 721693486 /nfs/dbraw/zinc/69/34/86/721693486.db2.gz TYHQSJHUIDEUNW-FQEVSTJZSA-N 1 1 436.890 3.654 20 0 IHADMO FC1(F)CCN(c2nc(Cl)nc3cnccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904841 721697093 /nfs/dbraw/zinc/69/70/93/721697093.db2.gz GWXAZTKLRFJYKD-FQEVSTJZSA-N 1 1 430.890 3.811 20 0 IHADMO CCOC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1C ZINC001164904162 721708471 /nfs/dbraw/zinc/70/84/71/721708471.db2.gz AIQPFZPBOVBHCQ-QFIPXVFZSA-N 1 1 430.499 3.699 20 0 IHADMO CCOC(=O)c1c(C)ccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907819 721716800 /nfs/dbraw/zinc/71/68/00/721716800.db2.gz UMBWYIJRJHLFSG-QFIPXVFZSA-N 1 1 430.499 3.699 20 0 IHADMO COC(OC)c1cc(C)cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906931 721718502 /nfs/dbraw/zinc/71/85/02/721718502.db2.gz PBEPSSIRIJFUMN-JOCHJYFZSA-N 1 1 432.515 3.814 20 0 IHADMO Fc1ccc2cc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912735 721775011 /nfs/dbraw/zinc/77/50/11/721775011.db2.gz PANBYAIRKFVPLE-QHCPKHFHSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1ccc2cc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912735 721775013 /nfs/dbraw/zinc/77/50/13/721775013.db2.gz PANBYAIRKFVPLE-QHCPKHFHSA-N 1 1 442.922 3.530 20 0 IHADMO Cc1csc2c1nc(Cl)cc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916975 721790347 /nfs/dbraw/zinc/79/03/47/721790347.db2.gz UITNNIMAYGBDNP-QFIPXVFZSA-N 1 1 444.988 3.761 20 0 IHADMO Cc1csc2c1nc(Cl)cc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916975 721790350 /nfs/dbraw/zinc/79/03/50/721790350.db2.gz UITNNIMAYGBDNP-QFIPXVFZSA-N 1 1 444.988 3.761 20 0 IHADMO CCOC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165027125 721812217 /nfs/dbraw/zinc/81/22/17/721812217.db2.gz SJPPZPLNJQGLMK-BPUDTRNYSA-N 1 1 445.567 3.938 20 0 IHADMO CN(C)c1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027400 721816550 /nfs/dbraw/zinc/81/65/50/721816550.db2.gz UQUQWPDQRPLVEW-WWNPGLIZSA-N 1 1 443.599 3.737 20 0 IHADMO COc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025976 721816586 /nfs/dbraw/zinc/81/65/86/721816586.db2.gz ORAZWHWDEXMTDF-BVSLBCMMSA-N 1 1 430.556 3.679 20 0 IHADMO CCOC(=O)c1cnc2cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH]cc1-2 ZINC001165027315 721822278 /nfs/dbraw/zinc/82/22/78/721822278.db2.gz RWVMDHGLKIFJSY-HYVJGQCMSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cnc2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH]cc1-2 ZINC001165027315 721822279 /nfs/dbraw/zinc/82/22/79/721822279.db2.gz RWVMDHGLKIFJSY-HYVJGQCMSA-N 1 1 433.556 3.872 20 0 IHADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)n2)cc1 ZINC001164930471 721856300 /nfs/dbraw/zinc/85/63/00/721856300.db2.gz SDSLVOBMAWNPLJ-GOTSBHOMSA-N 1 1 435.547 3.659 20 0 IHADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164930471 721856301 /nfs/dbraw/zinc/85/63/01/721856301.db2.gz SDSLVOBMAWNPLJ-GOTSBHOMSA-N 1 1 435.547 3.659 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCC[C@@H](C)C5)ncn4)CC3)C2)cc1 ZINC001164938630 721932381 /nfs/dbraw/zinc/93/23/81/721932381.db2.gz BYGQAYDHOFICCC-JOCHJYFZSA-N 1 1 435.616 3.893 20 0 IHADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCNC(=O)C4(C)C)c23)C1 ZINC001165051816 721994728 /nfs/dbraw/zinc/99/47/28/721994728.db2.gz LLODLXCDOOITDY-HNNXBMFYSA-N 1 1 427.618 3.517 20 0 IHADMO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]21 ZINC001164953195 722005648 /nfs/dbraw/zinc/00/56/48/722005648.db2.gz QBTGAJJFYKHCOA-UGKGYDQZSA-N 1 1 429.568 3.731 20 0 IHADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165056081 722020420 /nfs/dbraw/zinc/02/04/20/722020420.db2.gz VMSOJPISCXBIJC-UHFFFAOYSA-N 1 1 425.920 3.691 20 0 IHADMO COC(=O)c1ccc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ccc2c1 ZINC001164964526 722055036 /nfs/dbraw/zinc/05/50/36/722055036.db2.gz VJRDANFHQIPYPZ-UHFFFAOYSA-N 1 1 446.551 3.535 20 0 IHADMO c1ccc(COc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164963874 722055699 /nfs/dbraw/zinc/05/56/99/722055699.db2.gz PGAOWJTVODJKMO-UHFFFAOYSA-N 1 1 445.567 3.570 20 0 IHADMO Clc1nc2c(nc1N1CCC3(CC1)COCC[N@@H+](Cc1ccncc1)C3)CCCC2 ZINC001164966501 722062524 /nfs/dbraw/zinc/06/25/24/722062524.db2.gz VFARFXNBKVBBBM-UHFFFAOYSA-N 1 1 427.980 3.523 20 0 IHADMO Clc1cc(-c2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)ccn1 ZINC001164986566 722107074 /nfs/dbraw/zinc/10/70/74/722107074.db2.gz ZHJGNTFBTZTLPW-YADHBBJMSA-N 1 1 435.959 3.919 20 0 IHADMO CSc1nc2ccsc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975089 722112877 /nfs/dbraw/zinc/11/28/77/722112877.db2.gz JKEXGPQUHTVFFX-AEFFLSMTSA-N 1 1 427.599 3.536 20 0 IHADMO Fc1cc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164978358 722113807 /nfs/dbraw/zinc/11/38/07/722113807.db2.gz OLSVFDMGUYOWPW-YJBOKZPZSA-N 1 1 426.870 3.541 20 0 IHADMO Clc1cccc(-c2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)c1 ZINC001164984956 722144876 /nfs/dbraw/zinc/14/48/76/722144876.db2.gz YMBDYVNLJIMDNJ-NFBKMPQASA-N 1 1 435.959 3.919 20 0 IHADMO Fc1cccc(F)c1-c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973105 722147391 /nfs/dbraw/zinc/14/73/91/722147391.db2.gz AYAHOKARESBWEU-XMSQKQJNSA-N 1 1 437.494 3.544 20 0 IHADMO CCc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164977091 722147501 /nfs/dbraw/zinc/14/75/01/722147501.db2.gz IROJPPLRCFYWOQ-ILBGXUMGSA-N 1 1 429.568 3.828 20 0 IHADMO c1ccc(CSc2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164985451 722149192 /nfs/dbraw/zinc/14/91/92/722149192.db2.gz ZNJRUWMAGVCANO-GOTSBHOMSA-N 1 1 447.608 3.891 20 0 IHADMO c1ccc(SCc2nccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164973261 722154551 /nfs/dbraw/zinc/15/45/51/722154551.db2.gz LWFDRKBMLPVZPH-GMAHTHKFSA-N 1 1 447.608 3.891 20 0 IHADMO FC(F)(N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164975272 722157476 /nfs/dbraw/zinc/15/74/76/722157476.db2.gz QSBKRLHQQIJHCI-QUCCMNQESA-N 1 1 448.945 3.977 20 0 IHADMO O=C(Nc1cccnc1)c1noc2c1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001165001110 722247979 /nfs/dbraw/zinc/24/79/79/722247979.db2.gz LVISVEWNFPOCAX-UHFFFAOYSA-N 1 1 438.919 3.529 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc1 ZINC001165002103 722248215 /nfs/dbraw/zinc/24/82/15/722248215.db2.gz WGYRKJZEVRWIIZ-FQEVSTJZSA-N 1 1 432.528 3.827 20 0 IHADMO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1Br)OCO2)C(F)(F)F ZINC000604765691 1126099616 /nfs/dbraw/zinc/09/96/16/1126099616.db2.gz JLBWBCYEKXUXIH-RHSMWYFYSA-N 1 1 432.236 3.802 20 0 IHADMO COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(Br)c1O ZINC000680627727 1126105766 /nfs/dbraw/zinc/10/57/66/1126105766.db2.gz QZZYBHGXHXDQNZ-DYVFJYSZSA-N 1 1 434.252 3.787 20 0 IHADMO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC001473838530 1126199328 /nfs/dbraw/zinc/19/93/28/1126199328.db2.gz GWEDPCGVPQATMX-QGZVFWFLSA-N 1 1 426.311 3.783 20 0 IHADMO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ncc(Br)cc1Br ZINC001560548198 1126211974 /nfs/dbraw/zinc/21/19/74/1126211974.db2.gz FZZCTPHTFJWSOH-INIZCTEOSA-N 1 1 432.131 3.829 20 0 IHADMO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001620418886 1126240111 /nfs/dbraw/zinc/24/01/11/1126240111.db2.gz HBFIHTXQZHGOJH-VBKZILBWSA-N 1 1 438.366 3.575 20 0 IHADMO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(-c3cc(Br)cs3)no2)cc1 ZINC001620624031 1126241387 /nfs/dbraw/zinc/24/13/87/1126241387.db2.gz MVQQBWBOJGSEJX-SFHVURJKSA-N 1 1 438.347 3.653 20 0 IHADMO COc1nsc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1Br ZINC001620789853 1126242811 /nfs/dbraw/zinc/24/28/11/1126242811.db2.gz LVVBOFQIDCEDRW-MFKMUULPSA-N 1 1 425.270 3.538 20 0 IHADMO COC(=O)[C@]1(C)CCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164391956 718805331 /nfs/dbraw/zinc/80/53/31/718805331.db2.gz XFSBBLFTGRLGDM-CMJOXMDJSA-N 1 1 428.602 3.944 20 0 IHADMO COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164431046 718954587 /nfs/dbraw/zinc/95/45/87/718954587.db2.gz ZTBOADZQLXBNKP-DEOSSOPVSA-N 1 1 448.611 3.677 20 0 IHADMO Cc1cc2nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc(N3CCOCC3)c2s1 ZINC001164621020 719086080 /nfs/dbraw/zinc/08/60/80/719086080.db2.gz GDPIMJGWDLYWQP-UNMCSNQZSA-N 1 1 449.624 3.937 20 0 IHADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1C ZINC001164625964 719095632 /nfs/dbraw/zinc/09/56/32/719095632.db2.gz HTCUYUNGPNPJRF-QFBILLFUSA-N 1 1 439.947 3.509 20 0 IHADMO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](C)[N@@H+](C)C[C@H]3C)c2c1C ZINC001164637181 719237454 /nfs/dbraw/zinc/23/74/54/719237454.db2.gz UMISKNYKRVDHMJ-JKSUJKDBSA-N 1 1 445.633 3.691 20 0 IHADMO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@@H]3O2)n1 ZINC001164641013 719263076 /nfs/dbraw/zinc/26/30/76/719263076.db2.gz UNTZFNATIVTNDL-LEOXJPRUSA-N 1 1 437.588 3.825 20 0 IHADMO Cc1noc([C@@H]2C[C@H]3CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164648833 719298548 /nfs/dbraw/zinc/29/85/48/719298548.db2.gz GFBRFWUKKAMJIL-OIBXWCBGSA-N 1 1 431.540 3.688 20 0 IHADMO COc1cc2nc(Cl)c(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc2cc1OC ZINC001164650604 719311462 /nfs/dbraw/zinc/31/14/62/719311462.db2.gz ZMTMAOKFFUNBMY-UHFFFAOYSA-N 1 1 444.967 3.702 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164648284 719312463 /nfs/dbraw/zinc/31/24/63/719312463.db2.gz HOFJQZBKMVJCMY-UHFFFAOYSA-N 1 1 433.000 3.665 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164652812 719314208 /nfs/dbraw/zinc/31/42/08/719314208.db2.gz QQUCKZYETBLXRP-UHFFFAOYSA-N 1 1 433.334 3.816 20 0 IHADMO C[N@@H+](Cc1ccc(N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)nc1)C1CC1 ZINC001164656640 719323409 /nfs/dbraw/zinc/32/34/09/719323409.db2.gz YXQIOJOBAMWJRM-UHFFFAOYSA-N 1 1 444.583 3.819 20 0 IHADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]cnc3c1ccn3C)CC2 ZINC001164664123 719347015 /nfs/dbraw/zinc/34/70/15/719347015.db2.gz RQOUJHZEQHUFRC-UHFFFAOYSA-N 1 1 427.556 3.663 20 0 IHADMO C[N@H+]1CCO[C@@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164668199 719443190 /nfs/dbraw/zinc/44/31/90/719443190.db2.gz IGVHHOASWFFYCU-QZTJIDSGSA-N 1 1 438.622 3.992 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nnc(-c3ccc(C)cc3)c3ccccc31)CC2 ZINC001164689563 719739792 /nfs/dbraw/zinc/73/97/92/719739792.db2.gz HYJGAAAFFCJUGQ-UHFFFAOYSA-N 1 1 429.568 3.786 20 0 IHADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4cc5c(cc42)OCCO5)CC3)cs1 ZINC001164692383 719805570 /nfs/dbraw/zinc/80/55/70/719805570.db2.gz NPSKZZNUTBGZIL-UHFFFAOYSA-N 1 1 437.569 3.801 20 0 IHADMO O=C(c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2)N1CCCCC1 ZINC001164695659 719886850 /nfs/dbraw/zinc/88/68/50/719886850.db2.gz PNJKAQPSVQSGLA-UHFFFAOYSA-N 1 1 440.613 3.641 20 0 IHADMO Fc1ncccc1-c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164698986 719895727 /nfs/dbraw/zinc/89/57/27/719895727.db2.gz VEGCRYWHXLDHAY-UHFFFAOYSA-N 1 1 425.533 3.611 20 0 IHADMO Fc1ncccc1-c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164698986 719895729 /nfs/dbraw/zinc/89/57/29/719895729.db2.gz VEGCRYWHXLDHAY-UHFFFAOYSA-N 1 1 425.533 3.611 20 0 IHADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698180 719895896 /nfs/dbraw/zinc/89/58/96/719895896.db2.gz PJRSXWMGZZMJLI-UHFFFAOYSA-N 1 1 446.976 3.897 20 0 IHADMO Fc1cccc(-c2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164705856 719899251 /nfs/dbraw/zinc/89/92/51/719899251.db2.gz DKXXHMXIIBAHLH-UHFFFAOYSA-N 1 1 425.533 3.611 20 0 IHADMO Fc1cccc(-c2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164705856 719899255 /nfs/dbraw/zinc/89/92/55/719899255.db2.gz DKXXHMXIIBAHLH-UHFFFAOYSA-N 1 1 425.533 3.611 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]ccc31)CC2 ZINC001164712117 720094171 /nfs/dbraw/zinc/09/41/71/720094171.db2.gz VPDLXOBYSHKGKJ-KRWDZBQOSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001164805904 720096271 /nfs/dbraw/zinc/09/62/71/720096271.db2.gz ANFZVNOFJAFPLE-NAKRPHOHSA-N 1 1 446.639 3.825 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001164805904 720096274 /nfs/dbraw/zinc/09/62/74/720096274.db2.gz ANFZVNOFJAFPLE-NAKRPHOHSA-N 1 1 446.639 3.825 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)ncc1Cl)CC2 ZINC001164710667 720102485 /nfs/dbraw/zinc/10/24/85/720102485.db2.gz KVYYLDWVNUADNU-KRWDZBQOSA-N 1 1 434.009 3.754 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1OC)CC2 ZINC001164712053 720106124 /nfs/dbraw/zinc/10/61/24/720106124.db2.gz UROLYXTVDMQQRE-FQEVSTJZSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc3ccc(OC)cc3n1)CC2 ZINC001164716967 720119237 /nfs/dbraw/zinc/11/92/37/720119237.db2.gz MNDBRRDNLQAOHA-HXUWFJFHSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3C(C)C)CC2 ZINC001164714131 720135877 /nfs/dbraw/zinc/13/58/77/720135877.db2.gz WIHZKEMZFVGGTN-OAQYLSRUSA-N 1 1 434.588 3.915 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cccc(OC)c31)CC2 ZINC001164710479 720143619 /nfs/dbraw/zinc/14/36/19/720143619.db2.gz BVCJBNDLWKZSHS-FQEVSTJZSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)C2 ZINC001164816866 720172323 /nfs/dbraw/zinc/17/23/23/720172323.db2.gz NMHCEFUEFGRYQQ-NBGIEHNGSA-N 1 1 433.556 3.778 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1OCc1ccc(F)cc1)C2 ZINC001164812393 720180130 /nfs/dbraw/zinc/18/01/30/720180130.db2.gz AFVRQBSBZFWQHH-BWKNWUBXSA-N 1 1 425.548 3.984 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813837 720236736 /nfs/dbraw/zinc/23/67/36/720236736.db2.gz PXFVMPAGTWWTNE-UHFFFAOYSA-N 1 1 433.000 3.543 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3c(F)ccc(F)c13)CCC2 ZINC001164815756 720245336 /nfs/dbraw/zinc/24/53/36/720245336.db2.gz FAARGXCGTHYXKX-UHFFFAOYSA-N 1 1 447.917 3.974 20 0 IHADMO O=C1N(CC2CC2)CC[C@@]12CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164819876 720278890 /nfs/dbraw/zinc/27/88/90/720278890.db2.gz SQDGDSRBCUWBBZ-HHHXNRCGSA-N 1 1 430.596 3.869 20 0 IHADMO 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ZINC001164786062 721364562 /nfs/dbraw/zinc/36/45/62/721364562.db2.gz VLUUBXYCUGMMNE-HXUWFJFHSA-N 1 1 437.997 3.576 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccco4)n3)C2)C1 ZINC001164783052 721369843 /nfs/dbraw/zinc/36/98/43/721369843.db2.gz OZHATUSACCFRPF-XMMPIXPASA-N 1 1 437.544 3.769 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccco4)n3)C2)C1 ZINC001164783052 721369845 /nfs/dbraw/zinc/36/98/45/721369845.db2.gz OZHATUSACCFRPF-XMMPIXPASA-N 1 1 437.544 3.769 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4c(nc3Cl)CCCC4)C2)C1 ZINC001164784523 721376172 /nfs/dbraw/zinc/37/61/72/721376172.db2.gz PVRVPKAIZZBBBQ-HSZRJFAPSA-N 1 1 445.995 3.733 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4c(nc3Cl)CCCC4)C2)C1 ZINC001164784523 721376178 /nfs/dbraw/zinc/37/61/78/721376178.db2.gz PVRVPKAIZZBBBQ-HSZRJFAPSA-N 1 1 445.995 3.733 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164893580 721387200 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COc1cc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc(Cl)n1 ZINC001164807176 721533250 /nfs/dbraw/zinc/53/32/50/721533250.db2.gz PWHNHGWRKCFAAW-ZWOKBUDYSA-N 1 1 438.906 3.552 20 0 IHADMO COc1cc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc(Cl)n1 ZINC001164807176 721533254 /nfs/dbraw/zinc/53/32/54/721533254.db2.gz PWHNHGWRKCFAAW-ZWOKBUDYSA-N 1 1 438.906 3.552 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ncc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799898 721539899 /nfs/dbraw/zinc/53/98/99/721539899.db2.gz BRJRCBAZQULULG-OAGGEKHMSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ncc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799898 721539904 /nfs/dbraw/zinc/53/99/04/721539904.db2.gz BRJRCBAZQULULG-OAGGEKHMSA-N 1 1 444.313 3.592 20 0 IHADMO CN(C)c1ccc(-c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164905822 721547656 /nfs/dbraw/zinc/54/76/56/721547656.db2.gz IPJQQQMTVUBOOV-GGAORHGYSA-N 1 1 433.531 3.691 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)[C@H]2CCCO[C@@H]12 ZINC001164811212 721549862 /nfs/dbraw/zinc/54/98/62/721549862.db2.gz ZNIXZGLNVBMCSB-RCCFBDPRSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)[C@H]2CCCO[C@@H]12 ZINC001164811212 721549866 /nfs/dbraw/zinc/54/98/66/721549866.db2.gz ZNIXZGLNVBMCSB-RCCFBDPRSA-N 1 1 426.870 3.682 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)CC[N@H+]3C2)c1 ZINC001164911525 721551561 /nfs/dbraw/zinc/55/15/61/721551561.db2.gz ZHCVTQHUSBKLJY-HIFRSBDPSA-N 1 1 434.302 3.813 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCc3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800979 721569804 /nfs/dbraw/zinc/56/98/04/721569804.db2.gz GBXUNSRXTSGWPY-PLXFJCCSSA-N 1 1 430.552 3.924 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C[C@H]4C(=O)N(C)C)CC3)c2c1C ZINC001164905436 721570101 /nfs/dbraw/zinc/57/01/01/721570101.db2.gz ZMCAREUWTPYSSI-SFHVURJKSA-N 1 1 441.645 3.989 20 0 IHADMO 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FC1(F)CCN(c2nnc(Cl)c3ccncc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908434 721586925 /nfs/dbraw/zinc/58/69/25/721586925.db2.gz ZFHZEHDDWSFSRC-FQEVSTJZSA-N 1 1 430.890 3.811 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164811992 721589110 /nfs/dbraw/zinc/58/91/10/721589110.db2.gz ZJEKBFVVJFUGTH-HJOGWXRNSA-N 1 1 433.531 3.854 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164811992 721589111 /nfs/dbraw/zinc/58/91/11/721589111.db2.gz ZJEKBFVVJFUGTH-HJOGWXRNSA-N 1 1 433.531 3.854 20 0 IHADMO Cc1c(Cl)nc(C2CCC2)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164801123 721589163 /nfs/dbraw/zinc/58/91/63/721589163.db2.gz DRYCUHBKOJHUBW-HSALFYBXSA-N 1 1 427.980 3.969 20 0 IHADMO FC1(F)CCN(c2ncnc3nc(Cl)ccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904936 721691993 /nfs/dbraw/zinc/69/19/93/721691993.db2.gz HTCBVXOUXYZXTL-HXUWFJFHSA-N 1 1 430.890 3.811 20 0 IHADMO F[C@@H](Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904943 721696014 /nfs/dbraw/zinc/69/60/14/721696014.db2.gz ICKSSZKHBKOEJT-MOPGFXCFSA-N 1 1 426.870 3.995 20 0 IHADMO Fc1ncccc1-c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905563 721715400 /nfs/dbraw/zinc/71/54/00/721715400.db2.gz HONZFPJWUDDPRB-JOCHJYFZSA-N 1 1 440.473 3.810 20 0 IHADMO C=Cc1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1OC ZINC001164907776 721722294 /nfs/dbraw/zinc/72/22/94/721722294.db2.gz UAKQJAYAJATMRN-HXUWFJFHSA-N 1 1 435.906 3.914 20 0 IHADMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccncc2)n1 ZINC001164908083 721723649 /nfs/dbraw/zinc/72/36/49/721723649.db2.gz VHHFDBWETXPXHJ-QHCPKHFHSA-N 1 1 436.510 3.980 20 0 IHADMO COC(=O)c1c(Cl)ccnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908894 721745587 /nfs/dbraw/zinc/74/55/87/721745587.db2.gz NSWXLYGPENMBSA-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COC(=O)c1c(Cl)ccnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908894 721745591 /nfs/dbraw/zinc/74/55/91/721745591.db2.gz NSWXLYGPENMBSA-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COC(=O)c1cc2c[nH]c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)cc-2n1 ZINC001164909537 721758724 /nfs/dbraw/zinc/75/87/24/721758724.db2.gz HGWWEXSQDPZTTO-UHFFFAOYSA-N 1 1 431.496 3.532 20 0 IHADMO COC(=O)c1cc2c[nH]c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)cc-2n1 ZINC001164909537 721758729 /nfs/dbraw/zinc/75/87/29/721758729.db2.gz HGWWEXSQDPZTTO-UHFFFAOYSA-N 1 1 431.496 3.532 20 0 IHADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916357 721786460 /nfs/dbraw/zinc/78/64/60/721786460.db2.gz QCVJVKOGOPDCIJ-XMMPIXPASA-N 1 1 438.959 3.699 20 0 IHADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916357 721786465 /nfs/dbraw/zinc/78/64/65/721786465.db2.gz QCVJVKOGOPDCIJ-XMMPIXPASA-N 1 1 438.959 3.699 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C[C@H]21 ZINC001165019512 721801768 /nfs/dbraw/zinc/80/17/68/721801768.db2.gz CMCLSZMMPVHDCB-ZTFGCOKTSA-N 1 1 449.933 3.511 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4cc5c(cc43)OCCO5)C[C@H]21 ZINC001165019529 721804810 /nfs/dbraw/zinc/80/48/10/721804810.db2.gz CRLXXKUPBFSHKN-NQSCKRDGSA-N 1 1 431.540 3.533 20 0 IHADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@@]5(C[C@@H](Oc6cccnc6)CO5)C4)ccc3C2)cc1 ZINC001164915037 721805554 /nfs/dbraw/zinc/80/55/54/721805554.db2.gz HGCNZMGQMXYWAA-SHQCIBLASA-N 1 1 442.563 3.852 20 0 IHADMO CCOC(=O)c1cc2cccnc2nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024254 721811670 /nfs/dbraw/zinc/81/16/70/721811670.db2.gz KDDCSOWOZAMWFT-AJSBUHFISA-N 1 1 445.567 3.938 20 0 IHADMO CCOC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165027127 721812456 /nfs/dbraw/zinc/81/24/56/721812456.db2.gz SJPPZPLNJQGLMK-NGYIFUPDSA-N 1 1 445.567 3.938 20 0 IHADMO CN(C)c1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027396 721816662 /nfs/dbraw/zinc/81/66/62/721816662.db2.gz UQUQWPDQRPLVEW-MDNUFGMLSA-N 1 1 443.599 3.737 20 0 IHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164929202 721877992 /nfs/dbraw/zinc/87/79/92/721877992.db2.gz AMEQEHKKJYYVLV-VQTJNVASSA-N 1 1 448.640 3.847 20 0 IHADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164929202 721877993 /nfs/dbraw/zinc/87/79/93/721877993.db2.gz AMEQEHKKJYYVLV-VQTJNVASSA-N 1 1 448.640 3.847 20 0 IHADMO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164939273 721922323 /nfs/dbraw/zinc/92/23/23/721922323.db2.gz UCBYDGGIECLRQJ-UHFFFAOYSA-N 1 1 429.948 3.701 20 0 IHADMO COc1cc(OC)c2ncnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164944749 721933665 /nfs/dbraw/zinc/93/36/65/721933665.db2.gz UEMOHWBYPWEUJP-UHFFFAOYSA-N 1 1 448.567 3.827 20 0 IHADMO COC[C@]12COC[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164954452 721995218 /nfs/dbraw/zinc/99/52/18/721995218.db2.gz VWNWFJFKKHNBHZ-BXKMTCNYSA-N 1 1 442.629 3.655 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc1 ZINC001165052519 721999717 /nfs/dbraw/zinc/99/97/17/721999717.db2.gz SPJRJBALOXGINW-OAHLLOKOSA-N 1 1 426.512 3.825 20 0 IHADMO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055688 722018727 /nfs/dbraw/zinc/01/87/27/722018727.db2.gz SPKDGDWRLFVQQV-JOCHJYFZSA-N 1 1 427.911 3.684 20 0 IHADMO CN(C)c1cc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(Cl)n1 ZINC001164959852 722023930 /nfs/dbraw/zinc/02/39/30/722023930.db2.gz JCLHUDRJVTXXOY-UHFFFAOYSA-N 1 1 436.938 3.628 20 0 IHADMO Fc1cccc(Oc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)c1 ZINC001164960016 722058811 /nfs/dbraw/zinc/05/88/11/722058811.db2.gz CTIZQFNGLREBPY-UHFFFAOYSA-N 1 1 449.530 3.922 20 0 IHADMO CC(C)(C)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963273 722058888 /nfs/dbraw/zinc/05/88/88/722058888.db2.gz VEXKPYAQLFNWES-UHFFFAOYSA-N 1 1 429.996 3.942 20 0 IHADMO Cc1cccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)c1 ZINC001164960708 722059897 /nfs/dbraw/zinc/05/98/97/722059897.db2.gz INJDCDYELGCUAU-UHFFFAOYSA-N 1 1 429.568 3.966 20 0 IHADMO Fc1ccc(-c2cncc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164964387 722062072 /nfs/dbraw/zinc/06/20/72/722062072.db2.gz GCIWVQGMAUEVFJ-UHFFFAOYSA-N 1 1 433.531 3.797 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCN3C(=O)c2cscn2)nc1 ZINC001164966515 722065655 /nfs/dbraw/zinc/06/56/55/722065655.db2.gz VNJRFZVFENHACU-HKBOAZHASA-N 1 1 425.602 3.969 20 0 IHADMO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)n2)cc1 ZINC001164966835 722070143 /nfs/dbraw/zinc/07/01/43/722070143.db2.gz FJLAVCGTUVHEJZ-OYRHEFFESA-N 1 1 434.515 3.744 20 0 IHADMO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164967493 722075651 /nfs/dbraw/zinc/07/56/51/722075651.db2.gz RVMCXQJWCQDSQI-BGYRXZFFSA-N 1 1 441.645 3.593 20 0 IHADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)c1 ZINC001164967398 722078000 /nfs/dbraw/zinc/07/80/00/722078000.db2.gz DPESZAGNHRRIEG-HDICACEKSA-N 1 1 434.918 3.950 20 0 IHADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)c1 ZINC001164967398 722078002 /nfs/dbraw/zinc/07/80/02/722078002.db2.gz DPESZAGNHRRIEG-HDICACEKSA-N 1 1 434.918 3.950 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1 ZINC001164974164 722090880 /nfs/dbraw/zinc/09/08/80/722090880.db2.gz NKPMCRMDUOPVED-BAGYTPMASA-N 1 1 440.613 3.628 20 0 IHADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982713 722118233 /nfs/dbraw/zinc/11/82/33/722118233.db2.gz XTXKIHDWTCDHAA-VQIMIIECSA-N 1 1 447.917 3.884 20 0 IHADMO c1cn(C2CCCC2)c2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971375 722122732 /nfs/dbraw/zinc/12/27/32/722122732.db2.gz BQBRTTLUMMOFOF-NZQKXSOJSA-N 1 1 432.572 3.669 20 0 IHADMO Fc1cccc(Oc2cncc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164985028 722131761 /nfs/dbraw/zinc/13/17/61/722131761.db2.gz YWWPWBLIUZNSSK-UGKGYDQZSA-N 1 1 435.503 3.530 20 0 IHADMO Fc1cc2ncnc(Cl)c2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982202 722135773 /nfs/dbraw/zinc/13/57/73/722135773.db2.gz RIMKNBJCUFJTFL-UZLBHIALSA-N 1 1 427.911 3.545 20 0 IHADMO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]cnc5c4ccn5C(C)C)CC[C@H]32)cs1 ZINC001164987659 722184663 /nfs/dbraw/zinc/18/46/63/722184663.db2.gz LDXMWNIAZXYONG-WOJBJXKFSA-N 1 1 426.590 3.647 20 0 IHADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)COc2ccc(Cl)nn2)C3)c1 ZINC001164996236 722207458 /nfs/dbraw/zinc/20/74/58/722207458.db2.gz RYJWSUMUKSMOJF-IBGZPJMESA-N 1 1 426.870 3.981 20 0 IHADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)COc2ccc(Cl)nn2)C3)c1 ZINC001164996236 722207461 /nfs/dbraw/zinc/20/74/61/722207461.db2.gz RYJWSUMUKSMOJF-IBGZPJMESA-N 1 1 426.870 3.981 20 0 IHADMO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC001198220103 1126155289 /nfs/dbraw/zinc/15/52/89/1126155289.db2.gz XJNHOOMHDNXZHL-IBGZPJMESA-N 1 1 438.272 3.861 20 0 IHADMO CC(C)N1Cc2c(nc(Cl)nc2N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC001164624962 719094131 /nfs/dbraw/zinc/09/41/31/719094131.db2.gz FSPIRSBULLWRIF-PKOBYXMFSA-N 1 1 425.964 3.595 20 0 IHADMO CC(C)N1Cc2c(nc(Cl)nc2N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC001164624951 719094572 /nfs/dbraw/zinc/09/45/72/719094572.db2.gz FSPIRSBULLWRIF-HKUYNNGSSA-N 1 1 425.964 3.595 20 0 IHADMO C[C@@H]1CN(c2ccc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nn2)[C@@H](C)C[N@H+]1C ZINC001164631036 719163688 /nfs/dbraw/zinc/16/36/88/719163688.db2.gz ADBJWIOTNRSGTE-SJORKVTESA-N 1 1 431.519 3.556 20 0 IHADMO C[C@@H]1CN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)[C@@H](C)C[N@H+]1C ZINC000508368881 719236591 /nfs/dbraw/zinc/23/65/91/719236591.db2.gz CXZLZKHPHILPGH-MSOLQXFVSA-N 1 1 437.613 3.719 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@H]32)n1 ZINC001164645009 719293824 /nfs/dbraw/zinc/29/38/24/719293824.db2.gz AEDCSKOXDRLGGK-SJBKTWHCSA-N 1 1 428.964 3.679 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164650285 719315583 /nfs/dbraw/zinc/31/55/83/719315583.db2.gz BEQCDFFIHNKWLJ-UHFFFAOYSA-N 1 1 445.011 3.763 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)CC3CC3)C2)nc1 ZINC001164654661 719326564 /nfs/dbraw/zinc/32/65/64/719326564.db2.gz MNQCIVGRCCCSSL-OHTANWTRSA-N 1 1 440.632 3.919 20 0 IHADMO C[N@H+]1CCO[C@@H]2CN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)C[C@H]21 ZINC001164675066 719436799 /nfs/dbraw/zinc/43/67/99/719436799.db2.gz YLCWVFPHUKVAHW-FGZHOGPDSA-N 1 1 429.499 3.746 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)nc1 ZINC001164684795 719599971 /nfs/dbraw/zinc/59/99/71/719599971.db2.gz JYVSMKBEKVUNJA-OFNKIYASSA-N 1 1 432.572 3.940 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccc(C)cc3)nc3ccccc31)CC2 ZINC001164684723 719728295 /nfs/dbraw/zinc/72/82/95/719728295.db2.gz JXVYFKBBPYUCNU-UHFFFAOYSA-N 1 1 429.568 3.786 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)CC2 ZINC001164690220 719743281 /nfs/dbraw/zinc/74/32/81/719743281.db2.gz VPMXBZOMHNEEEL-UHFFFAOYSA-N 1 1 433.531 3.617 20 0 IHADMO CCOC(=O)c1cnc(SC)nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692784 719803134 /nfs/dbraw/zinc/80/31/34/719803134.db2.gz PDSLAIHFDKCLTL-UHFFFAOYSA-N 1 1 447.630 3.775 20 0 IHADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(C(=O)OC(C)(C)C)n2)CC3)cs1 ZINC001164694486 719810110 /nfs/dbraw/zinc/81/01/10/719810110.db2.gz YVEMMXFKVPNITD-UHFFFAOYSA-N 1 1 429.590 3.832 20 0 IHADMO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692656 719812103 /nfs/dbraw/zinc/81/21/03/719812103.db2.gz QUAUAPQUVNOZLV-AATRIKPKSA-N 1 1 426.586 3.976 20 0 IHADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(=O)NC4CCCC4)nn2)CC3)cs1 ZINC001164693432 719815449 /nfs/dbraw/zinc/81/54/49/719815449.db2.gz UZUCWIRLHVKOKF-UHFFFAOYSA-N 1 1 440.617 3.549 20 0 IHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ccc1-c1ccccc1 ZINC001164698446 719853278 /nfs/dbraw/zinc/85/32/78/719853278.db2.gz CJKIJXOZYDMCBW-MBSDFSHPSA-N 1 1 429.948 3.635 20 0 IHADMO COc1cc2ncc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2cc1OC ZINC001164696132 719891534 /nfs/dbraw/zinc/89/15/34/719891534.db2.gz YVCCSZHKZXQOSY-UHFFFAOYSA-N 1 1 440.569 3.580 20 0 IHADMO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164699043 719895506 /nfs/dbraw/zinc/89/55/06/719895506.db2.gz WBKLOGWXXYCYCE-SOFGYWHQSA-N 1 1 427.570 3.591 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc3ccc(F)cc31)CC2 ZINC001164714943 720107565 /nfs/dbraw/zinc/10/75/65/720107565.db2.gz FXEZXXQYGVPJCG-NRFANRHFSA-N 1 1 435.547 3.980 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164713987 720134718 /nfs/dbraw/zinc/13/47/18/720134718.db2.gz USDYAHUGCHDWNE-KRWDZBQOSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cnc1SC)CC2 ZINC001164714366 720137352 /nfs/dbraw/zinc/13/73/52/720137352.db2.gz WOZBNQQSCPFUSV-KRWDZBQOSA-N 1 1 434.009 3.754 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccco3)n1)CC2 ZINC001164713131 720148435 /nfs/dbraw/zinc/14/84/35/720148435.db2.gz RFOBUXJHFHVKMF-OAQYLSRUSA-N 1 1 433.556 3.948 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3c4c([nH]c31)CCC4)CC2 ZINC001164714729 720154413 /nfs/dbraw/zinc/15/44/13/720154413.db2.gz YJLKXHALTWPQBO-HXUWFJFHSA-N 1 1 431.584 3.954 20 0 IHADMO CCc1nc2sc3c(c2c(N2CC[C@]4(C2)C[N@@H+](CC2CC2)C[C@@H]4COC)n1)CCC3 ZINC001164818434 720165828 /nfs/dbraw/zinc/16/58/28/720165828.db2.gz STISAXQEPPJEIS-MZNJEOGPSA-N 1 1 426.630 3.927 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164810892 720198820 /nfs/dbraw/zinc/19/88/20/720198820.db2.gz FJNUUHNRVSJTDN-KSSFIOAISA-N 1 1 436.330 3.998 20 0 IHADMO COc1cccc2c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)cc(Cl)nc12 ZINC001164814174 720209482 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449.933 3.681 20 0 IHADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749701 720806457 /nfs/dbraw/zinc/80/64/57/720806457.db2.gz ULGBVURJAHSMCU-HOTGVXAUSA-N 1 1 449.933 3.681 20 0 IHADMO Clc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccsc2n1 ZINC001164742679 720822568 /nfs/dbraw/zinc/82/25/68/720822568.db2.gz QMFOTJAKHKXXLO-JFIYKMOQSA-N 1 1 428.993 3.921 20 0 IHADMO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749694 720836168 /nfs/dbraw/zinc/83/61/68/720836168.db2.gz WPUUAUSLSVFVIT-KZNAEPCWSA-N 1 1 436.938 3.559 20 0 IHADMO CC(C)c1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164742406 720848248 /nfs/dbraw/zinc/84/82/48/720848248.db2.gz GHAGFBWKDVXITB-ZFGGDYGUSA-N 1 1 431.588 3.724 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccc(C)cc4)nc4ccccc43)CC[C@@H]2C1 ZINC001164856752 720864240 /nfs/dbraw/zinc/86/42/40/720864240.db2.gz PETMABGMVVSEED-QPPBQGQZSA-N 1 1 432.568 3.779 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@H]2C1 ZINC001164856063 720865588 /nfs/dbraw/zinc/86/55/88/720865588.db2.gz OHJVMWBCSHDDMO-LPHOPBHVSA-N 1 1 425.907 3.607 20 0 IHADMO Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749070 720867461 /nfs/dbraw/zinc/86/74/61/720867461.db2.gz GRACWHPBOKLLLQ-NVQXNPDNSA-N 1 1 448.615 3.509 20 0 IHADMO Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747279 720870515 /nfs/dbraw/zinc/87/05/15/720870515.db2.gz BAMDWMCEINBWJW-NZQKXSOJSA-N 1 1 427.980 3.589 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(C)cc4)c4ccccc43)CC[C@@H]2C1 ZINC001164853310 720873251 /nfs/dbraw/zinc/87/32/51/720873251.db2.gz BTBPZJWIBNDMKW-QPPBQGQZSA-N 1 1 432.568 3.779 20 0 IHADMO Fc1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164748489 720875799 /nfs/dbraw/zinc/87/57/99/720875799.db2.gz FNYOADVEPVHRBY-QFQXNSOFSA-N 1 1 447.558 3.919 20 0 IHADMO Cc1nnc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751527 720879193 /nfs/dbraw/zinc/87/91/93/720879193.db2.gz KUYLDEZTMVMIDS-NFBKMPQASA-N 1 1 427.980 3.589 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC[C@@H]2C1 ZINC001164861652 720882070 /nfs/dbraw/zinc/88/20/70/720882070.db2.gz PWHLKAMDILYOCM-RSXGOPAZSA-N 1 1 444.579 3.984 20 0 IHADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)cc1 ZINC001164859887 720890155 /nfs/dbraw/zinc/89/01/55/720890155.db2.gz MYRIJQKWUDGJSW-NQIIRXRSSA-N 1 1 446.979 3.658 20 0 IHADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)cc1 ZINC001164859885 720890319 /nfs/dbraw/zinc/89/03/19/720890319.db2.gz MYRIJQKWUDGJSW-GHTZIAJQSA-N 1 1 446.979 3.658 20 0 IHADMO C=C(OCC)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164751735 720890437 /nfs/dbraw/zinc/89/04/37/720890437.db2.gz DDNJRHCDLMQSBC-ZEQKJWHPSA-N 1 1 449.599 3.634 20 0 IHADMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)c1Cl ZINC001164755619 720896028 /nfs/dbraw/zinc/89/60/28/720896028.db2.gz MFCKEAJBNHAULY-URXFXBBRSA-N 1 1 442.007 3.897 20 0 IHADMO COc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164757463 720900747 /nfs/dbraw/zinc/90/07/47/720900747.db2.gz VBRZRJPADHDFPX-GBXCKJPGSA-N 1 1 442.991 3.894 20 0 IHADMO COC(=O)c1cc2c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)[nH]c(Cl)cc-2n1 ZINC001164863568 720982179 /nfs/dbraw/zinc/98/21/79/720982179.db2.gz WLQDBLDFEWSFIT-ZDUSSCGKSA-N 1 1 430.940 3.621 20 0 IHADMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2[N@H+](C(C)(C)c2ccnc(Cl)c2)C1 ZINC001164757006 721018156 /nfs/dbraw/zinc/01/81/56/721018156.db2.gz CILRSCSJHALRMJ-AHRSYUTCSA-N 1 1 428.964 3.503 20 0 IHADMO Clc1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164869527 721044290 /nfs/dbraw/zinc/04/42/90/721044290.db2.gz UCTAUAXDWMJEAQ-DLBZAZTESA-N 1 1 430.339 3.811 20 0 IHADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869924 721062544 /nfs/dbraw/zinc/06/25/44/721062544.db2.gz UNLCGDQYSXYVRY-MSOLQXFVSA-N 1 1 445.901 3.703 20 0 IHADMO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865634 721106703 /nfs/dbraw/zinc/10/67/03/721106703.db2.gz NSZQITCZTLGEHD-MOPGFXCFSA-N 1 1 445.901 3.703 20 0 IHADMO Cc1cccc(Sc2cncc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164876518 721126122 /nfs/dbraw/zinc/12/61/22/721126122.db2.gz MYUFBXPYZYPNGO-RTWAWAEBSA-N 1 1 433.581 3.811 20 0 IHADMO CCc1nc2sc3c(c2c(N2CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C2)n1)CCC3 ZINC001164879146 721137556 /nfs/dbraw/zinc/13/75/56/721137556.db2.gz RZASCSHSIVORCG-QZTJIDSGSA-N 1 1 435.597 3.617 20 0 IHADMO CCc1nc2sc3c(c2c(N2CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C2)n1)CCC3 ZINC001164879150 721140015 /nfs/dbraw/zinc/14/00/15/721140015.db2.gz RZASCSHSIVORCG-ZWKOTPCHSA-N 1 1 435.597 3.617 20 0 IHADMO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164881203 721140094 /nfs/dbraw/zinc/14/00/94/721140094.db2.gz ZVQNAZRAWLIONE-FCHUYYIVSA-N 1 1 438.535 3.567 20 0 IHADMO c1ccc(CSc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164871569 721173587 /nfs/dbraw/zinc/17/35/87/721173587.db2.gz FLNCYUPSKUKEQV-FCHUYYIVSA-N 1 1 433.581 3.644 20 0 IHADMO Clc1ccc(OC(Cl)(Cl)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cn1 ZINC001164868065 721192411 /nfs/dbraw/zinc/19/24/11/721192411.db2.gz JWDBJIVUTRIRKC-DOTOQJQBSA-N 1 1 443.762 3.573 20 0 IHADMO Clc1ccc(OC(Cl)(Cl)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cn1 ZINC001164868065 721192422 /nfs/dbraw/zinc/19/24/22/721192422.db2.gz JWDBJIVUTRIRKC-DOTOQJQBSA-N 1 1 443.762 3.573 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164767756 721205016 /nfs/dbraw/zinc/20/50/16/721205016.db2.gz KMMKRKMKZVYRHE-CVEARBPZSA-N 1 1 448.905 3.627 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)C[C@@H]3C2)cn1 ZINC001164767000 721216045 /nfs/dbraw/zinc/21/60/45/721216045.db2.gz JWBRAVIFULROQV-MSOLQXFVSA-N 1 1 426.927 3.628 20 0 IHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC3CC2(C(=O)N2CCCC2)C3)n1 ZINC001164872617 721238009 /nfs/dbraw/zinc/23/80/09/721238009.db2.gz NEVADQISRXUOSF-UHFFFAOYSA-N 1 1 427.618 3.741 20 0 IHADMO c1cnc(-c2nc3sc4c(c3c(N3CC5(C3)CC[N@H+](CC3CC3)C5)n2)CCCC4)cn1 ZINC001164774670 721301065 /nfs/dbraw/zinc/30/10/65/721301065.db2.gz HAMJQRZHDCYAOH-UHFFFAOYSA-N 1 1 432.597 3.949 20 0 IHADMO Cc1cc2c(ncnc2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)s1 ZINC001164778108 721330389 /nfs/dbraw/zinc/33/03/89/721330389.db2.gz UMBSURQPJVAEJL-QFIPXVFZSA-N 1 1 427.574 3.724 20 0 IHADMO Cc1csc2ncnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c12 ZINC001164778457 721332306 /nfs/dbraw/zinc/33/23/06/721332306.db2.gz XCZOUGJISBQLDE-QFIPXVFZSA-N 1 1 427.574 3.724 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCC(=O)N(c4cccc(F)c4)[C@H]3C2)nc1 ZINC001164881240 721367153 /nfs/dbraw/zinc/36/71/53/721367153.db2.gz ANBFDFGZJAHOPL-VJBWXMMDSA-N 1 1 438.547 3.778 20 0 IHADMO COc1cccc2c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)cc(Cl)nc12 ZINC001164894089 721380718 /nfs/dbraw/zinc/38/07/18/721380718.db2.gz XMEZEPAIFKJQHQ-UUOWRZLLSA-N 1 1 445.007 3.662 20 0 IHADMO CC(C)c1cc2c(ncnc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)s1 ZINC001164889918 721380882 /nfs/dbraw/zinc/38/08/82/721380882.db2.gz MXSLKJCGJUYQQH-MBSDFSHPSA-N 1 1 429.634 3.580 20 0 IHADMO CC(C)c1cc2c(ncnc2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)s1 ZINC001164889909 721380935 /nfs/dbraw/zinc/38/09/35/721380935.db2.gz MXSLKJCGJUYQQH-FDDCHVKYSA-N 1 1 429.634 3.580 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(Cl)c4)C3)O2)CC1 ZINC001164892817 721383935 /nfs/dbraw/zinc/38/39/35/721383935.db2.gz STWUITKLWMYLNL-VQIMIIECSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164893620 721397030 /nfs/dbraw/zinc/39/70/30/721397030.db2.gz WFCWJTJQXDVOMW-FDDCHVKYSA-N 1 1 432.971 3.793 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164893622 721397801 /nfs/dbraw/zinc/39/78/01/721397801.db2.gz WFCWJTJQXDVOMW-MBSDFSHPSA-N 1 1 432.971 3.793 20 0 IHADMO Cc1cc2nc(Cl)c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc2cc1C ZINC001164890454 721422013 /nfs/dbraw/zinc/42/20/13/721422013.db2.gz SSELRNJUYJEBJO-CYFREDJKSA-N 1 1 444.023 3.665 20 0 IHADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164780823 721424803 /nfs/dbraw/zinc/42/48/03/721424803.db2.gz AHQAFUQFIVHGCK-HUUCEWRRSA-N 1 1 443.598 3.510 20 0 IHADMO COc1ccc(Cc2c(C)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2C)cc1 ZINC001164782708 721434872 /nfs/dbraw/zinc/43/48/72/721434872.db2.gz HKLIZNDOKXIMAQ-WOJBJXKFSA-N 1 1 435.597 3.718 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3[nH]ccc31)CC2 ZINC001164786813 721453995 /nfs/dbraw/zinc/45/39/95/721453995.db2.gz NSBNACBMCBXYLO-GOSISDBHSA-N 1 1 432.996 3.950 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164785929 721455148 /nfs/dbraw/zinc/45/51/48/721455148.db2.gz IRRYPZXBRAQNJP-RXVVDRJESA-N 1 1 441.975 3.596 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3cc(F)ccc31)CC2 ZINC001164785155 721455319 /nfs/dbraw/zinc/45/53/19/721455319.db2.gz GUHFKGGHCKUSGJ-OAQYLSRUSA-N 1 1 442.579 3.811 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3ccc(OC)cc3n1)CC2 ZINC001164782787 721462103 /nfs/dbraw/zinc/46/21/03/721462103.db2.gz BVMLYEGDENFZMU-JOCHJYFZSA-N 1 1 439.600 3.977 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164790622 721470994 /nfs/dbraw/zinc/47/09/94/721470994.db2.gz SNAPJTYKUWOKQF-QHCPKHFHSA-N 1 1 443.632 3.885 20 0 IHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164791039 721490612 /nfs/dbraw/zinc/49/06/12/721490612.db2.gz AIJNFZFOOAEZEI-UHFFFAOYSA-N 1 1 449.933 3.655 20 0 IHADMO COC(=O)CSc1cccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795939 721498791 /nfs/dbraw/zinc/49/87/91/721498791.db2.gz NRNXIVYBKFQHRO-UHFFFAOYSA-N 1 1 426.586 3.623 20 0 IHADMO O=C(NC1CCCCC1)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900099 721514919 /nfs/dbraw/zinc/51/49/19/721514919.db2.gz OAOPAOQQPUSGSF-RBBKRZOGSA-N 1 1 438.547 3.625 20 0 IHADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906355 721539789 /nfs/dbraw/zinc/53/97/89/721539789.db2.gz KCDJRHVYGYKTHC-MJGOQNOKSA-N 1 1 446.954 3.744 20 0 IHADMO COc1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164904714 721540131 /nfs/dbraw/zinc/54/01/31/721540131.db2.gz GBCFYCIQPPVDTJ-GOEBONIOSA-N 1 1 427.854 3.770 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)CC[N@H+]3C2)c1 ZINC001164911513 721542175 /nfs/dbraw/zinc/54/21/75/721542175.db2.gz XCCXSEAAWNQSPJ-HOCLYGCPSA-N 1 1 449.864 3.704 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccnc2C2SCCCS2)[C@H]2CCCO[C@H]12 ZINC001164810120 721543270 /nfs/dbraw/zinc/54/32/70/721543270.db2.gz XANOSOOCILXDAT-NSHGMRRFSA-N 1 1 443.642 3.609 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccnc2C2SCCCS2)[C@H]2CCCO[C@H]12 ZINC001164810120 721543275 /nfs/dbraw/zinc/54/32/75/721543275.db2.gz XANOSOOCILXDAT-NSHGMRRFSA-N 1 1 443.642 3.609 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(Cc3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164809593 721547403 /nfs/dbraw/zinc/54/74/03/721547403.db2.gz VPPUYNLLGKORTH-OTPAQWSUSA-N 1 1 449.986 3.984 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(Cc3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164809593 721547405 /nfs/dbraw/zinc/54/74/05/721547405.db2.gz VPPUYNLLGKORTH-OTPAQWSUSA-N 1 1 449.986 3.984 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(F)cccc32)[C@@H]2CCCO[C@H]12 ZINC001164807189 721549330 /nfs/dbraw/zinc/54/93/30/721549330.db2.gz PZVFAKQIERIUOQ-GGPKGHCWSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(F)cccc32)[C@@H]2CCCO[C@H]12 ZINC001164807189 721549335 /nfs/dbraw/zinc/54/93/35/721549335.db2.gz PZVFAKQIERIUOQ-GGPKGHCWSA-N 1 1 427.911 3.686 20 0 IHADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164908222 721551105 /nfs/dbraw/zinc/55/11/05/721551105.db2.gz PZUQXICYCMKRMU-QUCCMNQESA-N 1 1 428.508 3.910 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)[C@H]2CCCO[C@H]12 ZINC001164805128 721551591 /nfs/dbraw/zinc/55/15/91/721551591.db2.gz KZGRNTSWQRZSAJ-JZXOWHBKSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)[C@H]2CCCO[C@H]12 ZINC001164805128 721551593 /nfs/dbraw/zinc/55/15/93/721551593.db2.gz KZGRNTSWQRZSAJ-JZXOWHBKSA-N 1 1 426.870 3.682 20 0 IHADMO Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164909212 721561894 /nfs/dbraw/zinc/56/18/94/721561894.db2.gz SYPNUVWMOMZDSQ-IRLDBZIGSA-N 1 1 447.514 3.518 20 0 IHADMO Cc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164909651 721562813 /nfs/dbraw/zinc/56/28/13/721562813.db2.gz UMYZEWLWPUQJDP-AZUAARDMSA-N 1 1 439.922 3.981 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCc3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164800985 721569561 /nfs/dbraw/zinc/56/95/61/721569561.db2.gz GBXUNSRXTSGWPY-PPJWLVRDSA-N 1 1 430.552 3.924 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)cc3ncnc(Cl)c32)[C@@H]2CCCO[C@@H]12 ZINC001164801063 721572280 /nfs/dbraw/zinc/57/22/80/721572280.db2.gz GHPBEZPBIMPCIC-YFVAEKQCSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)cc3ncnc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164801058 721572373 /nfs/dbraw/zinc/57/23/73/721572373.db2.gz GHPBEZPBIMPCIC-QFUCXCTJSA-N 1 1 427.911 3.686 20 0 IHADMO CCN(c1ccccc1)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncn1 ZINC001164807664 721585715 /nfs/dbraw/zinc/58/57/15/721585715.db2.gz PDPJUOCSVZTIGB-MVERNJQCSA-N 1 1 444.583 3.898 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(F)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164806189 721587741 /nfs/dbraw/zinc/58/77/41/721587741.db2.gz MFFWJZCDBMCESN-VAMGGRTRSA-N 1 1 443.473 3.970 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(F)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164806189 721587743 /nfs/dbraw/zinc/58/77/43/721587743.db2.gz MFFWJZCDBMCESN-VAMGGRTRSA-N 1 1 443.473 3.970 20 0 IHADMO Cc1c(Cl)nc(C2CCC2)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164801119 721589374 /nfs/dbraw/zinc/58/93/74/721589374.db2.gz DRYCUHBKOJHUBW-AABGKKOBSA-N 1 1 427.980 3.969 20 0 IHADMO Cn1ccc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904121 721697942 /nfs/dbraw/zinc/69/79/42/721697942.db2.gz DGTVEXCJWTVBRF-FQEVSTJZSA-N 1 1 432.906 3.754 20 0 IHADMO Nc1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907790 721710837 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c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nccc4cnccc42)C3)c1 ZINC001164758096 720897196 /nfs/dbraw/zinc/89/71/96/720897196.db2.gz WODBDASAOKMIDM-ZEQKJWHPSA-N 1 1 429.568 3.780 20 0 IHADMO c1nc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2s1 ZINC001164755103 720899946 /nfs/dbraw/zinc/89/99/46/720899946.db2.gz KVKPZLUEBSAEGC-GBXCKJPGSA-N 1 1 435.597 3.841 20 0 IHADMO c1nc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2s1 ZINC001164755105 720900517 /nfs/dbraw/zinc/90/05/17/720900517.db2.gz KVKPZLUEBSAEGC-HYBUGGRVSA-N 1 1 435.597 3.841 20 0 IHADMO CCc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755134 720918575 /nfs/dbraw/zinc/91/85/75/720918575.db2.gz YPZZREXWQWUWBW-GBXCKJPGSA-N 1 1 442.007 3.843 20 0 IHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(C4CCC4)ncn2)C3)c1 ZINC001164747432 720926933 /nfs/dbraw/zinc/92/69/33/720926933.db2.gz DEDJWTKZLUPZLV-ZEQKJWHPSA-N 1 1 433.600 3.894 20 0 IHADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164864217 720972944 /nfs/dbraw/zinc/97/29/44/720972944.db2.gz ZUULPLMOCWJCOF-GFCCVEGCSA-N 1 1 441.363 3.578 20 0 IHADMO CCOC(=O)c1cc2c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)[nH]c(C)c(C)c-2n1 ZINC001164861834 720973943 /nfs/dbraw/zinc/97/39/43/720973943.db2.gz QWGBYVXFALQPIS-QGZVFWFLSA-N 1 1 438.576 3.974 20 0 IHADMO COc1ccc(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nn2)c(OC)c1 ZINC001164861396 721010488 /nfs/dbraw/zinc/01/04/88/721010488.db2.gz OITSNQWKOPLWKC-KRWDZBQOSA-N 1 1 436.560 3.779 20 0 IHADMO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)nc5c4CNCC5)CC3)CC2)cc1 ZINC001164765421 721042188 /nfs/dbraw/zinc/04/21/88/721042188.db2.gz PCXOYUGXHLETQC-UHFFFAOYSA-N 1 1 426.008 3.967 20 0 IHADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867356 721049852 /nfs/dbraw/zinc/04/98/52/721049852.db2.gz INROFADFUGAHOW-CABCVRRESA-N 1 1 429.298 3.808 20 0 IHADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865820 721050566 /nfs/dbraw/zinc/05/05/66/721050566.db2.gz AEDVFTCPPDTRIG-HZPDHXFCSA-N 1 1 429.298 3.808 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164773243 721109844 /nfs/dbraw/zinc/10/98/44/721109844.db2.gz XKBMJHAHQNAHBD-HOTGVXAUSA-N 1 1 432.906 3.520 20 0 IHADMO Clc1cc(Cc2ccccc2)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866181 721120572 /nfs/dbraw/zinc/12/05/72/721120572.db2.gz RQWZKYPDXUBWMG-YADHBBJMSA-N 1 1 435.959 3.596 20 0 IHADMO Cc1nc2sc3c(c2c(N2CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164876976 721137990 /nfs/dbraw/zinc/13/79/90/721137990.db2.gz NHEDKTVXLCPPIL-RTBURBONSA-N 1 1 435.597 3.753 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164774019 721158153 /nfs/dbraw/zinc/15/81/53/721158153.db2.gz ZSDOAFGQAYPSEH-SJORKVTESA-N 1 1 432.906 3.520 20 0 IHADMO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164878490 721163597 /nfs/dbraw/zinc/16/35/97/721163597.db2.gz QHRRXRYWPKZLIJ-MOPGFXCFSA-N 1 1 439.922 3.811 20 0 IHADMO c1ccc(CSc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164871571 721172663 /nfs/dbraw/zinc/17/26/63/721172663.db2.gz FLNCYUPSKUKEQV-VXKWHMMOSA-N 1 1 433.581 3.644 20 0 IHADMO CSc1ccc(Oc2cc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ncn2)cc1 ZINC001164768689 721178784 /nfs/dbraw/zinc/17/87/84/721178784.db2.gz LOQBZSXKRLMVTP-MOPGFXCFSA-N 1 1 436.585 3.683 20 0 IHADMO CC(C)(C)OC(=O)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164880699 721178961 /nfs/dbraw/zinc/17/89/61/721178961.db2.gz XDDIXDXBOLVCDU-OALUTQOASA-N 1 1 444.963 3.565 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164771911 721205098 /nfs/dbraw/zinc/20/50/98/721205098.db2.gz RYWVKOOREMRBMZ-IAGOWNOFSA-N 1 1 442.926 3.753 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)C[C@H]3C2)cn1 ZINC001164767003 721216443 /nfs/dbraw/zinc/21/64/43/721216443.db2.gz JWBRAVIFULROQV-QZTJIDSGSA-N 1 1 426.927 3.628 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001164763173 721232842 /nfs/dbraw/zinc/23/28/42/721232842.db2.gz MGTGQQMHWJJEEZ-ZIAGYGMSSA-N 1 1 449.855 3.991 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC4CC3(C(=O)N3CCCC3)C4)c2c1C ZINC001164874739 721237628 /nfs/dbraw/zinc/23/76/28/721237628.db2.gz SYWSGTRWVAXHKJ-UHFFFAOYSA-N 1 1 439.629 3.885 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccccc4F)C[C@H]3C2)cn1 ZINC001164760325 721239140 /nfs/dbraw/zinc/23/91/40/721239140.db2.gz DKRSURYFOFWKCG-IAGOWNOFSA-N 1 1 442.926 3.753 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)n1 ZINC001164770027 721274621 /nfs/dbraw/zinc/27/46/21/721274621.db2.gz SOTYXQKKRSIPOI-SFHVURJKSA-N 1 1 438.963 3.638 20 0 IHADMO CCN1CC[C@@]2(CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@@H]2C)C1=O ZINC001164777900 721320525 /nfs/dbraw/zinc/32/05/25/721320525.db2.gz MPSHAMAFKRMGDB-WNSKOXEYSA-N 1 1 427.618 3.599 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1 ZINC001164883770 721352683 /nfs/dbraw/zinc/35/26/83/721352683.db2.gz LSZWLPZGBPNOKS-WXFUMESZSA-N 1 1 434.584 3.606 20 0 IHADMO COc1cccc2c1ccnc2N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164785280 721368355 /nfs/dbraw/zinc/36/83/55/721368355.db2.gz SXHCCYNUYAJQCK-VWLOTQADSA-N 1 1 436.556 3.967 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccncc4)nc(C)n3)C2)C1 ZINC001164780310 721370002 /nfs/dbraw/zinc/37/00/02/721370002.db2.gz FXYUSLXLASFHCY-VWLOTQADSA-N 1 1 448.571 3.571 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccncc4)nc(C)n3)C2)C1 ZINC001164780310 721370006 /nfs/dbraw/zinc/37/00/06/721370006.db2.gz FXYUSLXLASFHCY-VWLOTQADSA-N 1 1 448.571 3.571 20 0 IHADMO CC(C)c1cc2c(ncnc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)s1 ZINC001164889922 721380979 /nfs/dbraw/zinc/38/09/79/721380979.db2.gz MXSLKJCGJUYQQH-WZONZLPQSA-N 1 1 429.634 3.580 20 0 IHADMO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2cc(Cl)ccc12 ZINC001164891077 721421993 /nfs/dbraw/zinc/42/19/93/721421993.db2.gz VCANEVJFQFUUAE-RDPSFJRHSA-N 1 1 429.008 3.962 20 0 IHADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc2cc(Cl)ccc12 ZINC001164891072 721422082 /nfs/dbraw/zinc/42/20/82/721422082.db2.gz VCANEVJFQFUUAE-GBXCKJPGSA-N 1 1 429.008 3.962 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5cccc(Cl)c5)nn4)C3)O2)CC1 ZINC001164899977 721434602 /nfs/dbraw/zinc/43/46/02/721434602.db2.gz ZRUAUZYNDDLBKE-XUZZJYLKSA-N 1 1 442.007 3.562 20 0 IHADMO Cc1cccc2cc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164894400 721447072 /nfs/dbraw/zinc/44/70/72/721447072.db2.gz MBDKRDZMOGALGR-GBXCKJPGSA-N 1 1 429.008 3.962 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C5CCCCC5)n4)C3)O2)CC1 ZINC001164887762 721448210 /nfs/dbraw/zinc/44/82/10/721448210.db2.gz JYYDOKYNVDFKES-RDPSFJRHSA-N 1 1 448.055 3.943 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3[nH]ccc31)CC2 ZINC001164786818 721453691 /nfs/dbraw/zinc/45/36/91/721453691.db2.gz NSBNACBMCBXYLO-SFHVURJKSA-N 1 1 432.996 3.950 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cc(OC)ccc31)CC2 ZINC001164785954 721454820 /nfs/dbraw/zinc/45/48/20/721454820.db2.gz KEWWRFWRVWSFQF-JOCHJYFZSA-N 1 1 439.600 3.977 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3ccc(F)cc31)CC2 ZINC001164785077 721455240 /nfs/dbraw/zinc/45/52/40/721455240.db2.gz GITOWTWDAGHWDB-NRFANRHFSA-N 1 1 442.579 3.811 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@H](F)c1ccnc(Cl)c1)CC2 ZINC001164784055 721459604 /nfs/dbraw/zinc/45/96/04/721459604.db2.gz GSAYDKLOVPBWNO-CTNGQTDRSA-N 1 1 425.976 3.933 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164899488 721490540 /nfs/dbraw/zinc/49/05/40/721490540.db2.gz KQJLLZFAXYSWCC-UNMCSNQZSA-N 1 1 426.605 3.673 20 0 IHADMO COc1cc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2cc1OC ZINC001164791641 721492082 /nfs/dbraw/zinc/49/20/82/721492082.db2.gz DEDHGDQKRJYPPA-UHFFFAOYSA-N 1 1 433.556 3.923 20 0 IHADMO COc1nc(-c2ccccc2)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791929 721497118 /nfs/dbraw/zinc/49/71/18/721497118.db2.gz FEOTWEIJOGSDBA-UHFFFAOYSA-N 1 1 430.556 3.823 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)nc4Cl)CC[N@H+]3C2)c1 ZINC001164899963 721511614 /nfs/dbraw/zinc/51/16/14/721511614.db2.gz MPCCEXYVUOQFCA-JSGCOSHPSA-N 1 1 433.261 3.809 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC[N@H+]3C2)c1 ZINC001164897170 721512321 /nfs/dbraw/zinc/51/23/21/721512321.db2.gz DWPONMGKLPGUGO-JSGCOSHPSA-N 1 1 433.261 3.809 20 0 IHADMO COc1cccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903440 721532901 /nfs/dbraw/zinc/53/29/01/721532901.db2.gz COVWBVKZHWUEOF-DOTOQJQBSA-N 1 1 428.895 3.773 20 0 IHADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906354 721540145 /nfs/dbraw/zinc/54/01/45/721540145.db2.gz KCDJRHVYGYKTHC-IEBWSBKVSA-N 1 1 446.954 3.744 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccnc2C2SCCCS2)[C@H]2CCCO[C@@H]12 ZINC001164810119 721542977 /nfs/dbraw/zinc/54/29/77/721542977.db2.gz XANOSOOCILXDAT-NLWGTHIKSA-N 1 1 443.642 3.609 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccnc2C2SCCCS2)[C@H]2CCCO[C@@H]12 ZINC001164810119 721542981 /nfs/dbraw/zinc/54/29/81/721542981.db2.gz XANOSOOCILXDAT-NLWGTHIKSA-N 1 1 443.642 3.609 20 0 IHADMO CCOC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2ccccc21 ZINC001164803684 721552448 /nfs/dbraw/zinc/55/24/48/721552448.db2.gz ISMRPAGDCXWNMB-LSQMVHIFSA-N 1 1 446.551 3.675 20 0 IHADMO COc1cccc2c1nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164804501 721552610 /nfs/dbraw/zinc/55/26/10/721552610.db2.gz KBCUOZIOMXYVRC-WFXMLNOXSA-N 1 1 439.947 3.555 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2F)[C@@H]2CCCO[C@H]12 ZINC001164803696 721552832 /nfs/dbraw/zinc/55/28/32/721552832.db2.gz IUWWQDQETNPAQC-LMMKCTJWSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2F)[C@@H]2CCCO[C@H]12 ZINC001164803696 721552835 /nfs/dbraw/zinc/55/28/35/721552835.db2.gz IUWWQDQETNPAQC-LMMKCTJWSA-N 1 1 426.870 3.682 20 0 IHADMO COc1ccc2nc(Cl)cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2n1 ZINC001164808024 721557966 /nfs/dbraw/zinc/55/79/66/721557966.db2.gz ULFGYNVBKLEFCS-LTMIRXACSA-N 1 1 439.947 3.555 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[N@H+]3C2)c1 ZINC001164909643 721561338 /nfs/dbraw/zinc/56/13/38/721561338.db2.gz UMHGQWCYJUIWJW-PZJWPPBQSA-N 1 1 431.515 3.508 20 0 IHADMO Cc1nc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(Cl)c1C ZINC001164808806 721564541 /nfs/dbraw/zinc/56/45/41/721564541.db2.gz VRBJEODTINAYNL-FGTMMUONSA-N 1 1 437.922 3.555 20 0 IHADMO Cc1nc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(Cl)c1C ZINC001164808806 721564544 /nfs/dbraw/zinc/56/45/44/721564544.db2.gz VRBJEODTINAYNL-FGTMMUONSA-N 1 1 437.922 3.555 20 0 IHADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCC3 ZINC001164805746 721576403 /nfs/dbraw/zinc/57/64/03/721576403.db2.gz OQLMLGFETFUGBR-XQBPLPMBSA-N 1 1 435.597 3.752 20 0 IHADMO Cc1nc2sc3c(c2c(N2C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCC3 ZINC001164805746 721576404 /nfs/dbraw/zinc/57/64/04/721576404.db2.gz OQLMLGFETFUGBR-XQBPLPMBSA-N 1 1 435.597 3.752 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(C3CC3)nnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164806766 721580290 /nfs/dbraw/zinc/58/02/90/721580290.db2.gz MYTYLRILFOSUCE-VAMGGRTRSA-N 1 1 449.933 3.816 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(C3CC3)nnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164806766 721580292 /nfs/dbraw/zinc/58/02/92/721580292.db2.gz MYTYLRILFOSUCE-VAMGGRTRSA-N 1 1 449.933 3.816 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164800100 721582243 /nfs/dbraw/zinc/58/22/43/721582243.db2.gz BYOXIENVKBLMBI-AQNXPRMDSA-N 1 1 425.483 3.831 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164800100 721582245 /nfs/dbraw/zinc/58/22/45/721582245.db2.gz BYOXIENVKBLMBI-AQNXPRMDSA-N 1 1 425.483 3.831 20 0 IHADMO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1N1CCCC1 ZINC001164905962 721583034 /nfs/dbraw/zinc/58/30/34/721583034.db2.gz YDNUZVDRAVPMCX-QFIPXVFZSA-N 1 1 428.531 3.518 20 0 IHADMO FC(F)(c1cc(Cl)ncn1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905066 721583240 /nfs/dbraw/zinc/58/32/40/721583240.db2.gz RXLYZMSHNYMUME-QGZVFWFLSA-N 1 1 429.849 3.808 20 0 IHADMO COC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164903964 721583942 /nfs/dbraw/zinc/58/39/42/721583942.db2.gz PMNDEBVKZFGUTB-HXUWFJFHSA-N 1 1 436.890 3.654 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164806188 721587833 /nfs/dbraw/zinc/58/78/33/721587833.db2.gz MFFWJZCDBMCESN-AQNXPRMDSA-N 1 1 443.473 3.970 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164806188 721587835 /nfs/dbraw/zinc/58/78/35/721587835.db2.gz MFFWJZCDBMCESN-AQNXPRMDSA-N 1 1 443.473 3.970 20 0 IHADMO Cn1ccc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904124 721698270 /nfs/dbraw/zinc/69/82/70/721698270.db2.gz DGTVEXCJWTVBRF-HXUWFJFHSA-N 1 1 432.906 3.754 20 0 IHADMO COc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2ccccc21 ZINC001164907274 721711850 /nfs/dbraw/zinc/71/18/50/721711850.db2.gz QHOTZPRYDOTVEH-JOCHJYFZSA-N 1 1 425.483 3.771 20 0 IHADMO CC(C)(C)OC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906633 721711891 /nfs/dbraw/zinc/71/18/91/721711891.db2.gz NJUSSCWOEXOOFX-QFIPXVFZSA-N 1 1 445.514 3.565 20 0 IHADMO CC(C)n1cnc2cnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164910609 721726171 /nfs/dbraw/zinc/72/61/71/721726171.db2.gz GTOWLCFROGYVMB-OAQYLSRUSA-N 1 1 427.503 3.540 20 0 IHADMO FC1(F)CCN(c2ccnc(-c3nccs3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913817 721736998 /nfs/dbraw/zinc/73/69/98/721736998.db2.gz YCMMRSVWLIJJDH-HXUWFJFHSA-N 1 1 428.512 3.733 20 0 IHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(C3CC3)c2)CC1 ZINC001165012161 721750536 /nfs/dbraw/zinc/75/05/36/721750536.db2.gz AVBXVHKFUWGHLU-UHFFFAOYSA-N 1 1 426.939 3.680 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001164909481 721754878 /nfs/dbraw/zinc/75/48/78/721754878.db2.gz FLYRKEKUBMBSJP-UHFFFAOYSA-N 1 1 433.556 3.793 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001164909481 721754879 /nfs/dbraw/zinc/75/48/79/721754879.db2.gz FLYRKEKUBMBSJP-UHFFFAOYSA-N 1 1 433.556 3.793 20 0 IHADMO CN(C)C(=O)c1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(Cl)c1 ZINC001164912205 721761678 /nfs/dbraw/zinc/76/16/78/721761678.db2.gz VIJPTCQESFBOER-UHFFFAOYSA-N 1 1 439.947 3.620 20 0 IHADMO CN(C)C(=O)c1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(Cl)c1 ZINC001164912205 721761679 /nfs/dbraw/zinc/76/16/79/721761679.db2.gz VIJPTCQESFBOER-UHFFFAOYSA-N 1 1 439.947 3.620 20 0 IHADMO CCOC(=O)c1cc2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2[nH]1 ZINC001165019893 721809191 /nfs/dbraw/zinc/80/91/91/721809191.db2.gz CBGIPHLMENGPNV-RCZSKKKRSA-N 1 1 433.556 3.872 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)n1 ZINC001164915500 721810149 /nfs/dbraw/zinc/81/01/49/721810149.db2.gz BIQBUJOEVIKGST-LVCYWYKZSA-N 1 1 449.020 3.988 20 0 IHADMO COc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c(OC)c1 ZINC001165029636 721814919 /nfs/dbraw/zinc/81/49/19/721814919.db2.gz ZWRUZLRXUQQTJM-RBDMOPTHSA-N 1 1 433.556 3.779 20 0 IHADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164934579 721884336 /nfs/dbraw/zinc/88/43/36/721884336.db2.gz SEFHKMZBIHHTOG-VQTJNVASSA-N 1 1 437.613 3.719 20 0 IHADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164934579 721884337 /nfs/dbraw/zinc/88/43/37/721884337.db2.gz SEFHKMZBIHHTOG-VQTJNVASSA-N 1 1 437.613 3.719 20 0 IHADMO Cc1nc2cc(Cl)ccc2c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947475 721974379 /nfs/dbraw/zinc/97/43/79/721974379.db2.gz PAKMHRXYPYLDNO-UHFFFAOYSA-N 1 1 435.959 3.563 20 0 IHADMO Cc1nc2cc(Cl)ccc2c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947475 721974382 /nfs/dbraw/zinc/97/43/82/721974382.db2.gz PAKMHRXYPYLDNO-UHFFFAOYSA-N 1 1 435.959 3.563 20 0 IHADMO CC(C)c1ccc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2c1 ZINC001164951400 721978695 /nfs/dbraw/zinc/97/86/95/721978695.db2.gz YVLSJPUEYSDIKN-UHFFFAOYSA-N 1 1 429.568 3.724 20 0 IHADMO CC(C)c1ccc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2c1 ZINC001164951400 721978698 /nfs/dbraw/zinc/97/86/98/721978698.db2.gz YVLSJPUEYSDIKN-UHFFFAOYSA-N 1 1 429.568 3.724 20 0 IHADMO c1ccc(Cc2nccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164960693 722061015 /nfs/dbraw/zinc/06/10/15/722061015.db2.gz HUQQBGVEVHLMLA-UHFFFAOYSA-N 1 1 429.568 3.581 20 0 IHADMO Fc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1-c1ccsc1 ZINC001164965929 722061934 /nfs/dbraw/zinc/06/19/34/722061934.db2.gz MILKSETWHFQVPJ-UHFFFAOYSA-N 1 1 439.560 3.858 20 0 IHADMO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c23)C1 ZINC001164978206 722115977 /nfs/dbraw/zinc/11/59/77/722115977.db2.gz NVSOQPZQFJSOOP-LMNJBCLMSA-N 1 1 449.624 3.938 20 0 IHADMO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983294 722129590 /nfs/dbraw/zinc/12/95/90/722129590.db2.gz SXYFWUKLSJIHPV-ZJSXRUAMSA-N 1 1 446.551 3.534 20 0 IHADMO Clc1ccccc1-c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973464 722129874 /nfs/dbraw/zinc/12/98/74/722129874.db2.gz CJBOHHNPADFRCT-XXBNENTESA-N 1 1 435.959 3.919 20 0 IHADMO Fc1cccc(Oc2cncc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164985026 722131743 /nfs/dbraw/zinc/13/17/43/722131743.db2.gz YWWPWBLIUZNSSK-SIKLNZKXSA-N 1 1 435.503 3.530 20 0 IHADMO Fc1cccc(Oc2cncc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164985025 722131893 /nfs/dbraw/zinc/13/18/93/722131893.db2.gz YWWPWBLIUZNSSK-KNQAVFIVSA-N 1 1 435.503 3.530 20 0 IHADMO Fc1cccc(F)c1-c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973101 722147514 /nfs/dbraw/zinc/14/75/14/722147514.db2.gz AYAHOKARESBWEU-GCJKJVERSA-N 1 1 437.494 3.544 20 0 IHADMO FC(F)(N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164975270 722156908 /nfs/dbraw/zinc/15/69/08/722156908.db2.gz QSBKRLHQQIJHCI-AZUAARDMSA-N 1 1 448.945 3.977 20 0 IHADMO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]cnc5c4ccn5C(C)C)CC[C@H]32)cs1 ZINC001164987657 722184666 /nfs/dbraw/zinc/18/46/66/722184666.db2.gz LDXMWNIAZXYONG-UXHICEINSA-N 1 1 426.590 3.647 20 0 IHADMO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]cnc5c4ccn5C(C)C)CC[C@@H]32)cs1 ZINC001164987658 722184693 /nfs/dbraw/zinc/18/46/93/722184693.db2.gz LDXMWNIAZXYONG-VQTJNVASSA-N 1 1 426.590 3.647 20 0 IHADMO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccc([C@H]3CCCC[N@H+]3CC)cn1)CC2 ZINC001164992020 722187734 /nfs/dbraw/zinc/18/77/34/722187734.db2.gz RJAYRBZAFDBUCA-FCHUYYIVSA-N 1 1 428.621 3.730 20 0 IHADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)[nH]1 ZINC001164994111 722203469 /nfs/dbraw/zinc/20/34/69/722203469.db2.gz GCCFJCUHJJWZJY-JOCHJYFZSA-N 1 1 443.910 3.782 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](OCCOC)[C@H]2Cc2cnn(C)c2)nc1 ZINC001164998741 722224990 /nfs/dbraw/zinc/22/49/90/722224990.db2.gz FECIZPKDHOXPBN-SMIHKQSGSA-N 1 1 441.620 3.605 20 0 IHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(SCc4ccccc4)ccn2)CC3)CC1 ZINC001165001094 722238088 /nfs/dbraw/zinc/23/80/88/722238088.db2.gz CBLIHLWRFWVFEK-UHFFFAOYSA-N 1 1 446.624 3.521 20 0 IHADMO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cn2ccc(Br)cc2n1)C(F)(F)F ZINC000685616205 1126106490 /nfs/dbraw/zinc/10/64/90/1126106490.db2.gz CTJWLEWGFZAMEJ-NVXWUHKLSA-N 1 1 428.252 3.721 20 0 IHADMO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@@H](CO)Cc3ccccc3C)cs2)cc1 ZINC001180933411 1126152864 /nfs/dbraw/zinc/15/28/64/1126152864.db2.gz ANCAFLXBDBNGFH-LJQANCHMSA-N 1 1 425.554 3.838 20 0 IHADMO Cn1c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)nc2ccc(Br)cc21 ZINC001197297831 1126154189 /nfs/dbraw/zinc/15/41/89/1126154189.db2.gz RWPWVXZUSCEBQK-MAUKXSAKSA-N 1 1 442.279 3.960 20 0 IHADMO OC[C@]1([NH2+]Cc2nc(Cc3ccc(F)cc3)no2)CCc2cc(Br)ccc2C1 ZINC001307928933 1126162073 /nfs/dbraw/zinc/16/20/73/1126162073.db2.gz ORJBCYWXHYZFEI-NRFANRHFSA-N 1 1 446.320 3.572 20 0 IHADMO COc1nsc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1Br ZINC001620789852 1126242822 /nfs/dbraw/zinc/24/28/22/1126242822.db2.gz LVVBOFQIDCEDRW-GXFFZTMASA-N 1 1 425.270 3.538 20 0 IHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5OCC(F)(F)[C@@H]5C3)n2)CCC4)CC1 ZINC001164424390 718928236 /nfs/dbraw/zinc/92/82/36/718928236.db2.gz NHKOUDSCNFCAJP-CVEARBPZSA-N 1 1 434.556 3.882 20 0 IHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5OCC(F)(F)[C@H]5C4)c32)C1 ZINC001164424120 718929781 /nfs/dbraw/zinc/92/97/81/718929781.db2.gz LMDLNPIKMCFLRP-VNQPRFMTSA-N 1 1 434.556 3.882 20 0 IHADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164432648 718978975 /nfs/dbraw/zinc/97/89/75/718978975.db2.gz IFOYZEOHVAASOV-SBUREZEXSA-N 1 1 446.617 3.698 20 0 IHADMO CCOC(=O)[C@]12C[C@H]1CCN2c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164628020 719041936 /nfs/dbraw/zinc/04/19/36/719041936.db2.gz XCXPGRKHEDBKLH-CMJOXMDJSA-N 1 1 426.586 3.698 20 0 IHADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164631029 719164388 /nfs/dbraw/zinc/16/43/88/719164388.db2.gz ADBJWIOTNRSGTE-IAGOWNOFSA-N 1 1 431.519 3.556 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164650521 719314325 /nfs/dbraw/zinc/31/43/25/719314325.db2.gz FUPWTDSPYWTAPG-UHFFFAOYSA-N 1 1 435.910 3.625 20 0 IHADMO Cn1ccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674367 719502981 /nfs/dbraw/zinc/50/29/81/719502981.db2.gz VLDIPCUIEDUIMW-UHFFFAOYSA-N 1 1 429.927 3.632 20 0 IHADMO Cn1ccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674367 719502986 /nfs/dbraw/zinc/50/29/86/719502986.db2.gz VLDIPCUIEDUIMW-UHFFFAOYSA-N 1 1 429.927 3.632 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CCCC3)C[C@H]3OCC[C@@H]32)nc1 ZINC001164677534 719545403 /nfs/dbraw/zinc/54/54/03/719545403.db2.gz FBLYXSKHTCYBKU-BXXSPATCSA-N 1 1 426.605 3.625 20 0 IHADMO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164691943 719808576 /nfs/dbraw/zinc/80/85/76/719808576.db2.gz BBUOXJUQBFKXPH-UHFFFAOYSA-N 1 1 441.601 3.931 20 0 IHADMO COc1nc(-c2ccccc2)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692944 719810623 /nfs/dbraw/zinc/81/06/23/719810623.db2.gz OHBYSCMUNRRZHD-UHFFFAOYSA-N 1 1 436.585 3.947 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164809230 720076606 /nfs/dbraw/zinc/07/66/06/720076606.db2.gz IYVPMDCHXNIKQY-RDTXWAMCSA-N 1 1 432.968 3.582 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncn1)CC2 ZINC001164710208 720092939 /nfs/dbraw/zinc/09/29/39/720092939.db2.gz HEIHZSVMXWYPDS-KRWDZBQOSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(F)c31)CC2 ZINC001164711002 720094757 /nfs/dbraw/zinc/09/47/57/720094757.db2.gz MSYMRQMFPSWJNK-INIZCTEOSA-N 1 1 444.942 3.653 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1OC)CC2 ZINC001164712056 720106471 /nfs/dbraw/zinc/10/64/71/720106471.db2.gz UROLYXTVDMQQRE-HXUWFJFHSA-N 1 1 433.556 3.541 20 0 IHADMO 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O=C(c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1)N1CCCCC1 ZINC001164729820 720351911 /nfs/dbraw/zinc/35/19/11/720351911.db2.gz YLHWSQOQYWDPDK-PMACEKPBSA-N 1 1 425.964 3.609 20 0 IHADMO Clc1nc2c(c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)C2 ZINC001164726660 720359628 /nfs/dbraw/zinc/35/96/28/720359628.db2.gz QYANJMKWOPGJIC-DHIUTWEWSA-N 1 1 446.986 3.894 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)CC[C@@H]21 ZINC001164840010 720510271 /nfs/dbraw/zinc/51/02/71/720510271.db2.gz VTMUZNKMJIRCMY-DZKIICNBSA-N 1 1 445.345 3.903 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C(=O)OC(C)(C)C)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836733 720517023 /nfs/dbraw/zinc/51/70/23/720517023.db2.gz NNYOJINAUVVWPD-QHAWAJNXSA-N 1 1 425.577 3.611 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837321 720556596 /nfs/dbraw/zinc/55/65/96/720556596.db2.gz LQIBCIQXNQZJOG-NLWGTHIKSA-N 1 1 445.995 3.794 20 0 IHADMO 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CC(C)(C)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757762 720885006 /nfs/dbraw/zinc/88/50/06/720885006.db2.gz VLJREPGPGPHUHT-GJZUVCINSA-N 1 1 435.616 3.924 20 0 IHADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)c1 ZINC001164864437 720888668 /nfs/dbraw/zinc/88/86/68/720888668.db2.gz VTBMFPHMWXKPDZ-GHTZIAJQSA-N 1 1 446.979 3.658 20 0 IHADMO Cc1[nH]c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164753980 720892130 /nfs/dbraw/zinc/89/21/30/720892130.db2.gz HZZNKGIJWKYTHQ-GJZUVCINSA-N 1 1 446.599 3.725 20 0 IHADMO CCCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)n1 ZINC001164756851 720897272 /nfs/dbraw/zinc/89/72/72/720897272.db2.gz RQJAXMKQFKKOTB-BVAGGSTKSA-N 1 1 435.616 3.888 20 0 IHADMO Fc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2[nH]ccc21 ZINC001164757886 720902652 /nfs/dbraw/zinc/90/26/52/720902652.db2.gz WBLNTHIFIPQLDF-NLFFAJNJSA-N 1 1 435.547 3.852 20 0 IHADMO Fc1nc(F)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)n1 ZINC001164748579 720907279 /nfs/dbraw/zinc/90/72/79/720907279.db2.gz HBWYUXHLSIFQLD-VGSWGCGISA-N 1 1 449.933 3.558 20 0 IHADMO CCSc1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748471 720918342 /nfs/dbraw/zinc/91/83/42/720918342.db2.gz GFCODBUKVGALEK-QPPBQGQZSA-N 1 1 439.629 3.739 20 0 IHADMO c1coc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164751310 720920875 /nfs/dbraw/zinc/92/08/75/720920875.db2.gz LFNJDTSQPNIDDH-BKMJKUGQSA-N 1 1 445.567 3.887 20 0 IHADMO C[C@@H]1CCc2nnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2C1 ZINC001164754232 720928870 /nfs/dbraw/zinc/92/88/70/720928870.db2.gz UVXOPIFHQXINEY-ZJSFPPFMSA-N 1 1 447.627 3.752 20 0 IHADMO COc1cc2nc(Cl)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2cc1OC ZINC001164861253 720948116 /nfs/dbraw/zinc/94/81/16/720948116.db2.gz SEWCMSFOPPYTHO-CQSZACIVSA-N 1 1 444.967 3.918 20 0 IHADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164862529 720982618 /nfs/dbraw/zinc/98/26/18/720982618.db2.gz SVYPKTRZZQWMRO-SFHVURJKSA-N 1 1 449.603 3.634 20 0 IHADMO Clc1cccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866719 721078663 /nfs/dbraw/zinc/07/86/63/721078663.db2.gz UTCMFFNJPXYZCZ-HZPDHXFCSA-N 1 1 430.339 3.811 20 0 IHADMO Clc1ccc2c(c1)nc(Cl)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864926 721085450 /nfs/dbraw/zinc/08/54/50/721085450.db2.gz HNVODNLBIWBOPR-DLBZAZTESA-N 1 1 430.339 3.811 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C[C@H]3C2)cn1 ZINC001164769295 721090112 /nfs/dbraw/zinc/09/01/12/721090112.db2.gz OKPBVEZYAYATIN-JKSUJKDBSA-N 1 1 432.906 3.520 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc5ccsc5c(Cl)n4)C[C@@H]3C2)cn1 ZINC001164763002 721095182 /nfs/dbraw/zinc/09/51/82/721095182.db2.gz FVHXYSFSTYEWLQ-KGLIPLIRSA-N 1 1 438.935 3.581 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164773242 721110488 /nfs/dbraw/zinc/11/04/88/721110488.db2.gz XKBMJHAHQNAHBD-CVEARBPZSA-N 1 1 432.906 3.520 20 0 IHADMO Clc1ccc2[nH]c3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3c2c1 ZINC001164877009 721132163 /nfs/dbraw/zinc/13/21/63/721132163.db2.gz NUMTWPOJPAOLDJ-MSOLQXFVSA-N 1 1 434.931 3.639 20 0 IHADMO CSc1ccc(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164772288 721150698 /nfs/dbraw/zinc/15/06/98/721150698.db2.gz VGAFTVPFWAZJPX-HUUCEWRRSA-N 1 1 427.952 3.694 20 0 IHADMO Fc1ccc(-c2nc(Cl)cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164881097 721159099 /nfs/dbraw/zinc/15/90/99/721159099.db2.gz ZASNMXSUKKBVHO-UXHICEINSA-N 1 1 439.922 3.811 20 0 IHADMO FC(F)(Sc1ccc(Cl)nc1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868261 721188073 /nfs/dbraw/zinc/18/80/73/721188073.db2.gz LJLNTONEJKFBDT-JKSUJKDBSA-N 1 1 426.920 3.748 20 0 IHADMO FC(F)(N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164870833 721191464 /nfs/dbraw/zinc/19/14/64/721191464.db2.gz WMJXPGYNVMUUEJ-OALUTQOASA-N 1 1 434.918 3.730 20 0 IHADMO Clc1ccc(OC(Cl)(Cl)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cn1 ZINC001164868068 721192222 /nfs/dbraw/zinc/19/22/22/721192222.db2.gz JWDBJIVUTRIRKC-WBVHZDCISA-N 1 1 443.762 3.573 20 0 IHADMO Clc1ccc(OC(Cl)(Cl)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cn1 ZINC001164868068 721192238 /nfs/dbraw/zinc/19/22/38/721192238.db2.gz JWDBJIVUTRIRKC-WBVHZDCISA-N 1 1 443.762 3.573 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C[C@@H]3C2)cn1 ZINC001164772376 721196501 /nfs/dbraw/zinc/19/65/01/721196501.db2.gz UGCJOZVCZWHTRG-IRXDYDNUSA-N 1 1 442.926 3.753 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)C[C@@H]3C2)cn1 ZINC001164767006 721215256 /nfs/dbraw/zinc/21/52/56/721215256.db2.gz JWBRAVIFULROQV-ROUUACIJSA-N 1 1 426.927 3.628 20 0 IHADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164876382 721326083 /nfs/dbraw/zinc/32/60/83/721326083.db2.gz GQKACJKRMJAMQA-UHFFFAOYSA-N 1 1 446.285 3.996 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)nc1 ZINC001164876780 721329981 /nfs/dbraw/zinc/32/99/81/721329981.db2.gz QBRZGWAUFQBCMO-SFTDATJTSA-N 1 1 445.571 3.944 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc(C4CC4)n3)C2)C1 ZINC001164778441 721336551 /nfs/dbraw/zinc/33/65/51/721336551.db2.gz WQXWTCDXULPAAT-JOCHJYFZSA-N 1 1 431.968 3.731 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc(C4CC4)n3)C2)C1 ZINC001164778441 721336553 /nfs/dbraw/zinc/33/65/53/721336553.db2.gz WQXWTCDXULPAAT-JOCHJYFZSA-N 1 1 431.968 3.731 20 0 IHADMO CSc1cnc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778564 721352768 /nfs/dbraw/zinc/35/27/68/721352768.db2.gz NGOCSYYRHFIQHB-HXUWFJFHSA-N 1 1 437.997 3.576 20 0 IHADMO CSc1cnc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778564 721352770 /nfs/dbraw/zinc/35/27/70/721352770.db2.gz NGOCSYYRHFIQHB-HXUWFJFHSA-N 1 1 437.997 3.576 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4cccs4)nn3)C2)C1 ZINC001164782253 721357514 /nfs/dbraw/zinc/35/75/14/721357514.db2.gz LQUCYXWVIQQLOQ-HSZRJFAPSA-N 1 1 439.585 3.929 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4cccs4)nn3)C2)C1 ZINC001164782253 721357519 /nfs/dbraw/zinc/35/75/19/721357519.db2.gz LQUCYXWVIQQLOQ-HSZRJFAPSA-N 1 1 439.585 3.929 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(C(C)(C)C)n3)C2)C1 ZINC001164781440 721368493 /nfs/dbraw/zinc/36/84/93/721368493.db2.gz JDERWYZHZLXQAD-XMMPIXPASA-N 1 1 427.593 3.806 20 0 IHADMO Cc1ccc2nc(Cl)cc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164886163 721401136 /nfs/dbraw/zinc/40/11/36/721401136.db2.gz HVKNIYWPWXZKTD-YADARESESA-N 1 1 429.008 3.962 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4c(Cl)ncc(Cl)c4Cl)C3)O2)CC1 ZINC001164887228 721414815 /nfs/dbraw/zinc/41/48/15/721414815.db2.gz LPQLFQWBPRJLAK-AUUYWEPGSA-N 1 1 433.811 3.807 20 0 IHADMO Cc1ccc(F)c2cc(C)c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc12 ZINC001164891977 721421516 /nfs/dbraw/zinc/42/15/16/721421516.db2.gz XMMIKNWVBJNSLM-CPJSRVTESA-N 1 1 426.580 3.756 20 0 IHADMO Cc1cc2nc(Cl)c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2cc1C ZINC001164890475 721421962 /nfs/dbraw/zinc/42/19/62/721421962.db2.gz SSELRNJUYJEBJO-NTKDMRAZSA-N 1 1 444.023 3.665 20 0 IHADMO Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2cc(Cl)ccc12 ZINC001164891078 721422075 /nfs/dbraw/zinc/42/20/75/721422075.db2.gz VCANEVJFQFUUAE-YKSBVNFPSA-N 1 1 429.008 3.962 20 0 IHADMO COc1ccc2c(cc(Cl)nc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164887764 721423227 /nfs/dbraw/zinc/42/32/27/721423227.db2.gz NJHOYRVDAZAWDX-RDPSFJRHSA-N 1 1 445.007 3.662 20 0 IHADMO CCCCOc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(Cl)c1 ZINC001164893681 721428985 /nfs/dbraw/zinc/42/89/85/721428985.db2.gz JYFPFFLTLOQLJU-CVDCTZTESA-N 1 1 437.028 3.679 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C(C)(C)C)nc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164892331 721432759 /nfs/dbraw/zinc/43/27/59/721432759.db2.gz IELJWKUQDGFKHM-FNZWTVRRSA-N 1 1 443.680 3.837 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5cc(F)c(Cl)cc54)C3)O2)CC1 ZINC001164890238 721445763 /nfs/dbraw/zinc/44/57/63/721445763.db2.gz CQOYYNQJAKIGAC-MBSDFSHPSA-N 1 1 432.971 3.793 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5cccc(F)c54)C3)O2)CC1 ZINC001164893315 721453221 /nfs/dbraw/zinc/45/32/21/721453221.db2.gz ZBLOMAZUYNGOOA-MBSDFSHPSA-N 1 1 432.971 3.793 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3cccc(OC)c3n1)CC2 ZINC001164790212 721454901 /nfs/dbraw/zinc/45/49/01/721454901.db2.gz XJHOCPBXOKEPPN-QFIPXVFZSA-N 1 1 439.600 3.977 20 0 IHADMO CCc1cc2c(ncnc2N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)s1 ZINC001164789312 721458794 /nfs/dbraw/zinc/45/87/94/721458794.db2.gz WVBLVTWWKAUOSY-IBGZPJMESA-N 1 1 444.645 3.988 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3ccc(OC)cc3n1)CC2 ZINC001164782788 721461785 /nfs/dbraw/zinc/46/17/85/721461785.db2.gz BVMLYEGDENFZMU-QFIPXVFZSA-N 1 1 439.600 3.977 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164790120 721468085 /nfs/dbraw/zinc/46/80/85/721468085.db2.gz RBIJIIVZVDHZNF-HXUWFJFHSA-N 1 1 442.629 3.939 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccsc3)nn1)CC2 ZINC001164789507 721470796 /nfs/dbraw/zinc/47/07/96/721470796.db2.gz NGGHBXBEUSDNLO-NRFANRHFSA-N 1 1 442.629 3.939 20 0 IHADMO O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164897017 721475272 /nfs/dbraw/zinc/47/52/72/721475272.db2.gz ZMFZRYNCKGGMBL-XMMPIXPASA-N 1 1 439.991 3.887 20 0 IHADMO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791189 721491149 /nfs/dbraw/zinc/49/11/49/721491149.db2.gz CGCUAUHJONOKEQ-UHFFFAOYSA-N 1 1 431.540 3.692 20 0 IHADMO CN(C)C(=O)c1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(Cl)c1 ZINC001164796003 721500790 /nfs/dbraw/zinc/50/07/90/721500790.db2.gz OVGXIMJZVLNJQJ-UHFFFAOYSA-N 1 1 427.980 3.713 20 0 IHADMO O=C(NC1CCCCC1)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900100 721515004 /nfs/dbraw/zinc/51/50/04/721515004.db2.gz OAOPAOQQPUSGSF-UNMCSNQZSA-N 1 1 438.547 3.625 20 0 IHADMO COCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccccc2)n1 ZINC001164802519 721530584 /nfs/dbraw/zinc/53/05/84/721530584.db2.gz GRFGLDSEEIVQAO-LSQMVHIFSA-N 1 1 445.567 3.553 20 0 IHADMO COCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccccc2)n1 ZINC001164802519 721530588 /nfs/dbraw/zinc/53/05/88/721530588.db2.gz GRFGLDSEEIVQAO-LSQMVHIFSA-N 1 1 445.567 3.553 20 0 IHADMO COc1cccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164908321 721538211 /nfs/dbraw/zinc/53/82/11/721538211.db2.gz PTKNJVMBTOMTJW-DOTOQJQBSA-N 1 1 428.895 3.773 20 0 IHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164911334 721540072 /nfs/dbraw/zinc/54/00/72/721540072.db2.gz WIBMMGZPTJMSRF-QUCCMNQESA-N 1 1 446.954 3.698 20 0 IHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911329 721540173 /nfs/dbraw/zinc/54/01/73/721540173.db2.gz WIBMMGZPTJMSRF-AZUAARDMSA-N 1 1 446.954 3.698 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)CC[N@H+]3C2)c1 ZINC001164907370 721548203 /nfs/dbraw/zinc/54/82/03/721548203.db2.gz NFAVOVRKWLUPQC-RDJZCZTQSA-N 1 1 449.864 3.704 20 0 IHADMO COc1cccc2c1nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164804499 721552256 /nfs/dbraw/zinc/55/22/56/721552256.db2.gz KBCUOZIOMXYVRC-LQWHRVPQSA-N 1 1 439.947 3.555 20 0 IHADMO COc1ccc2nc(Cl)cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2n1 ZINC001164808023 721558123 /nfs/dbraw/zinc/55/81/23/721558123.db2.gz ULFGYNVBKLEFCS-HFJQGTKSSA-N 1 1 439.947 3.555 20 0 IHADMO Cc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164909211 721562148 /nfs/dbraw/zinc/56/21/48/721562148.db2.gz SYPNUVWMOMZDSQ-IFMALSPDSA-N 1 1 447.514 3.518 20 0 IHADMO COc1cccc(Oc2cncc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)c1 ZINC001164806286 721567972 /nfs/dbraw/zinc/56/79/72/721567972.db2.gz PQSMQIIYNUINFI-OTNCWRBYSA-N 1 1 447.539 3.541 20 0 IHADMO COc1cccc(Oc2cncc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)c1 ZINC001164806286 721567975 /nfs/dbraw/zinc/56/79/75/721567975.db2.gz PQSMQIIYNUINFI-OTNCWRBYSA-N 1 1 447.539 3.541 20 0 IHADMO COc1cccc(Oc2cncc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)c1 ZINC001164806289 721568489 /nfs/dbraw/zinc/56/84/89/721568489.db2.gz PQSMQIIYNUINFI-SLSDLSHTSA-N 1 1 447.539 3.541 20 0 IHADMO COc1cccc(Oc2cncc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)c1 ZINC001164806289 721568491 /nfs/dbraw/zinc/56/84/91/721568491.db2.gz PQSMQIIYNUINFI-SLSDLSHTSA-N 1 1 447.539 3.541 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2F)[C@@H]2CCCO[C@H]12 ZINC001164807514 721583142 /nfs/dbraw/zinc/58/31/42/721583142.db2.gz OHVQEDQUEKKOSE-UZKOGDIHSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164800919 721585998 /nfs/dbraw/zinc/58/59/98/721585998.db2.gz DBUFZJLHNFMOMD-AQNXPRMDSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164800919 721586001 /nfs/dbraw/zinc/58/60/01/721586001.db2.gz DBUFZJLHNFMOMD-AQNXPRMDSA-N 1 1 427.911 3.686 20 0 IHADMO Cc1cc(OCc2ccccc2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164804194 721587028 /nfs/dbraw/zinc/58/70/28/721587028.db2.gz IZCWVWCCEXYOCU-LSQMVHIFSA-N 1 1 445.567 3.627 20 0 IHADMO Cc1cc(OCc2ccccc2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164804194 721587032 /nfs/dbraw/zinc/58/70/32/721587032.db2.gz IZCWVWCCEXYOCU-LSQMVHIFSA-N 1 1 445.567 3.627 20 0 IHADMO CCOC(=O)c1cc(F)cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907029 721587583 /nfs/dbraw/zinc/58/75/83/721587583.db2.gz QKIPIYSBWAPAGM-NRFANRHFSA-N 1 1 434.462 3.530 20 0 IHADMO Cc1c(Cl)nc(CC(C)C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808077 721588274 /nfs/dbraw/zinc/58/82/74/721588274.db2.gz PVAARGCHZQMUPL-SVFBPWRDSA-N 1 1 429.996 3.900 20 0 IHADMO Cc1cc(-c2ccccc2F)nnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164811254 721588711 /nfs/dbraw/zinc/58/87/11/721588711.db2.gz WXKUPIUOELMNAI-TZRRMPRUSA-N 1 1 433.531 3.854 20 0 IHADMO Cc1cc(-c2ccccc2F)nnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164811254 721588713 /nfs/dbraw/zinc/58/87/13/721588713.db2.gz WXKUPIUOELMNAI-TZRRMPRUSA-N 1 1 433.531 3.854 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(F)ccc3c(Cl)ncnc32)[C@@H]2CCCO[C@H]12 ZINC001164812258 721591174 /nfs/dbraw/zinc/59/11/74/721591174.db2.gz ZTNLJXAZVFJLTG-OPYAIIAOSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(F)ccc3c(Cl)ncnc32)[C@@H]2CCCO[C@H]12 ZINC001164812258 721591175 /nfs/dbraw/zinc/59/11/75/721591175.db2.gz ZTNLJXAZVFJLTG-OPYAIIAOSA-N 1 1 427.911 3.686 20 0 IHADMO FC(F)(c1cnc(Cl)nc1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904336 721692061 /nfs/dbraw/zinc/69/20/61/721692061.db2.gz FRCVPGFGECARAA-QGZVFWFLSA-N 1 1 429.849 3.808 20 0 IHADMO COc1cccc2c1ncnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164903638 721692566 /nfs/dbraw/zinc/69/25/66/721692566.db2.gz BBGFHNHPDDJLBM-QFIPXVFZSA-N 1 1 425.483 3.771 20 0 IHADMO FC(F)(c1cnnc(Cl)c1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904150 721705205 /nfs/dbraw/zinc/70/52/05/721705205.db2.gz AGDPVTWVUWBSRZ-QGZVFWFLSA-N 1 1 429.849 3.808 20 0 IHADMO COc1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncc2c1 ZINC001164907321 721708082 /nfs/dbraw/zinc/70/80/82/721708082.db2.gz QTBLMESSCWKPMX-QFIPXVFZSA-N 1 1 425.483 3.771 20 0 IHADMO CC(C)(C)OC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906632 721711141 /nfs/dbraw/zinc/71/11/41/721711141.db2.gz NJUSSCWOEXOOFX-JOCHJYFZSA-N 1 1 445.514 3.565 20 0 IHADMO COc1cc2c(cc1F)ncnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906459 721714806 /nfs/dbraw/zinc/71/48/06/721714806.db2.gz MBFJKLDWAHEWQC-JOCHJYFZSA-N 1 1 443.473 3.910 20 0 IHADMO CCOCc1cnc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906507 721720211 /nfs/dbraw/zinc/72/02/11/721720211.db2.gz MMFZSCQTDFHINR-FQEVSTJZSA-N 1 1 437.922 3.799 20 0 IHADMO FC1(F)CCN(c2ccnc(-c3nccs3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913816 721737600 /nfs/dbraw/zinc/73/76/00/721737600.db2.gz YCMMRSVWLIJJDH-FQEVSTJZSA-N 1 1 428.512 3.733 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C(=O)N1CCCCC1)C2 ZINC001164908839 721746092 /nfs/dbraw/zinc/74/60/92/721746092.db2.gz LNUARCKORVOOMT-UHFFFAOYSA-N 1 1 445.567 3.890 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C(=O)N1CCCCC1)C2 ZINC001164908839 721746095 /nfs/dbraw/zinc/74/60/95/721746095.db2.gz LNUARCKORVOOMT-UHFFFAOYSA-N 1 1 445.567 3.890 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](OCCCn4cccn4)CC[C@@H]32)nc1 ZINC001165021762 721782779 /nfs/dbraw/zinc/78/27/79/721782779.db2.gz PKASFGICLMDLHR-FVEXOFTDSA-N 1 1 439.604 3.668 20 0 IHADMO Fc1cc2ccc(Cl)nc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914072 721783330 /nfs/dbraw/zinc/78/33/30/721783330.db2.gz AXWLSKYUEVEXKF-HSZRJFAPSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1cc2ccc(Cl)nc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914072 721783334 /nfs/dbraw/zinc/78/33/34/721783334.db2.gz AXWLSKYUEVEXKF-HSZRJFAPSA-N 1 1 442.922 3.530 20 0 IHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)nc1 ZINC001165021854 721785281 /nfs/dbraw/zinc/78/52/81/721785281.db2.gz PTZUXWNJYNFUAL-WIOPSUGQSA-N 1 1 434.588 3.832 20 0 IHADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@]5(C[C@@H](Oc6cccnc6)CO5)C4)ccc3C2)cc1 ZINC001164915038 721805584 /nfs/dbraw/zinc/80/55/84/721805584.db2.gz HGCNZMGQMXYWAA-SQHAQQRYSA-N 1 1 442.563 3.852 20 0 IHADMO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ncc21 ZINC001165025907 721807235 /nfs/dbraw/zinc/80/72/35/721807235.db2.gz PVIPZFTWCRJGOL-AMHTUMDSSA-N 1 1 431.540 3.548 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)C[C@@H]21 ZINC001165023318 721807894 /nfs/dbraw/zinc/80/78/94/721807894.db2.gz JGNJUSYICMOVSN-YSIASYRMSA-N 1 1 438.576 3.956 20 0 IHADMO CN(C)c1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027395 721816619 /nfs/dbraw/zinc/81/66/19/721816619.db2.gz UQUQWPDQRPLVEW-ACIOBRDBSA-N 1 1 443.599 3.737 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@@H]21 ZINC001165022360 721824249 /nfs/dbraw/zinc/82/42/49/721824249.db2.gz HABJEYDOTDAXJD-CWRNSKLLSA-N 1 1 447.921 3.635 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)COc3cncc(Cl)n3)C[C@H]21 ZINC001165023962 721824963 /nfs/dbraw/zinc/82/49/63/721824963.db2.gz IXCYDPJRFMZCCK-CGTJXYLNSA-N 1 1 437.922 3.729 20 0 IHADMO COc1cc(OC)c2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165022170 721831336 /nfs/dbraw/zinc/83/13/36/721831336.db2.gz GMHYZGSCSHXMLD-MTNREXPMSA-N 1 1 433.556 3.779 20 0 IHADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)n2)cc1 ZINC001164930475 721856282 /nfs/dbraw/zinc/85/62/82/721856282.db2.gz SDSLVOBMAWNPLJ-PKTZIBPZSA-N 1 1 435.547 3.659 20 0 IHADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164930475 721856284 /nfs/dbraw/zinc/85/62/84/721856284.db2.gz SDSLVOBMAWNPLJ-PKTZIBPZSA-N 1 1 435.547 3.659 20 0 IHADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164923130 721866637 /nfs/dbraw/zinc/86/66/37/721866637.db2.gz IHQHRBNCFNBAHP-LSDHHAIUSA-N 1 1 430.330 3.696 20 0 IHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164923130 721866638 /nfs/dbraw/zinc/86/66/38/721866638.db2.gz IHQHRBNCFNBAHP-LSDHHAIUSA-N 1 1 430.330 3.696 20 0 IHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@H]5[C@@H]4CCC(=O)N5C)c23)C1 ZINC001164935600 721893304 /nfs/dbraw/zinc/89/33/04/721893304.db2.gz VZNRWGVRGYJCMN-NJAFHUGGSA-N 1 1 439.629 3.611 20 0 IHADMO COC(=O)c1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ncc1Cl ZINC001164938243 721921591 /nfs/dbraw/zinc/92/15/91/721921591.db2.gz JYZANUXGZGSYKZ-UHFFFAOYSA-N 1 1 429.948 3.701 20 0 IHADMO COc1cc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2cc1OC ZINC001164941054 721922784 /nfs/dbraw/zinc/92/27/84/721922784.db2.gz ZXCJSKUTHNVZEF-UHFFFAOYSA-N 1 1 448.567 3.827 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5ncsc54)CC3)C2)cc1 ZINC001164939384 721926728 /nfs/dbraw/zinc/92/67/28/721926728.db2.gz LDFOJNMWIWAMFI-UHFFFAOYSA-N 1 1 429.977 3.920 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(C(=O)OC(C)(C)C)n4)CC3)C2)cc1 ZINC001164938993 721927028 /nfs/dbraw/zinc/92/70/28/721927028.db2.gz GGWUQBFHNYYWDR-UHFFFAOYSA-N 1 1 438.572 3.612 20 0 IHADMO Clc1nc2c(c(N3CC[NH+](CCOc4ccccc4)CC3)n1)CN(Cc1ccccc1)C2 ZINC001165044707 721954890 /nfs/dbraw/zinc/95/48/90/721954890.db2.gz OVONXRXIUHJJFE-UHFFFAOYSA-N 1 1 449.986 3.847 20 0 IHADMO CSc1nc2sccc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164961256 722053147 /nfs/dbraw/zinc/05/31/47/722053147.db2.gz WUFRREIJHYTOQO-UHFFFAOYSA-N 1 1 441.626 3.927 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@H]2C1 ZINC001164969179 722082601 /nfs/dbraw/zinc/08/26/01/722082601.db2.gz KXWNNDQMWKPVHM-UXHICEINSA-N 1 1 431.939 3.859 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@H]2C1 ZINC001164969179 722082602 /nfs/dbraw/zinc/08/26/02/722082602.db2.gz KXWNNDQMWKPVHM-UXHICEINSA-N 1 1 431.939 3.859 20 0 IHADMO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972426 722116629 /nfs/dbraw/zinc/11/66/29/722116629.db2.gz FEOQEWWLGSNNIM-YJBOKZPZSA-N 1 1 426.870 3.541 20 0 IHADMO Clc1cc(Cc2ccccc2)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982825 722133387 /nfs/dbraw/zinc/13/33/87/722133387.db2.gz SURPYVROJGEIQY-GGAORHGYSA-N 1 1 449.986 3.843 20 0 IHADMO FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983377 722143193 /nfs/dbraw/zinc/14/31/93/722143193.db2.gz USSITKPTZMIKJB-YLJYHZDGSA-N 1 1 449.933 3.675 20 0 IHADMO Fc1cc2ncc(Cl)nc2cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980952 722146635 /nfs/dbraw/zinc/14/66/35/722146635.db2.gz OAUPTISWGLZOBL-KKSFZXQISA-N 1 1 427.911 3.545 20 0 IHADMO Fc1ccc2c(Cl)nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981668 722150244 /nfs/dbraw/zinc/15/02/44/722150244.db2.gz PYVACZFUNMQJID-OXJNMPFZSA-N 1 1 427.911 3.545 20 0 IHADMO c1ccc(CSc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164973328 722151475 /nfs/dbraw/zinc/15/14/75/722151475.db2.gz BTGYXFCQXZILRI-DHIUTWEWSA-N 1 1 447.608 3.891 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971713 722153922 /nfs/dbraw/zinc/15/39/22/722153922.db2.gz DIUWGJXHQILCEF-ZJSXRUAMSA-N 1 1 433.531 3.713 20 0 IHADMO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972732 722154543 /nfs/dbraw/zinc/15/45/43/722154543.db2.gz JEDDDJXGLRNSTA-PMACEKPBSA-N 1 1 427.980 3.828 20 0 IHADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc4ccccc4nc2N2CCOCC2)C3)c1 ZINC001164992889 722198882 /nfs/dbraw/zinc/19/88/82/722198882.db2.gz BZZVEOQKHIVZKK-AREMUKBSSA-N 1 1 447.558 3.850 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001165000372 722220411 /nfs/dbraw/zinc/22/04/11/722220411.db2.gz WRHHSVPNTDQGLU-HFZDXXHNSA-N 1 1 448.567 3.991 20 0 IHADMO CCN(CC)c1ccnc([C@H]2COCCN2c2nc(Cl)ccc2C[NH+]2CCCC2)n1 ZINC001165000082 722226751 /nfs/dbraw/zinc/22/67/51/722226751.db2.gz PWLYXGHMTMANIR-GOSISDBHSA-N 1 1 430.984 3.545 20 0 IHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2c(Cl)ccc4ccc(Cl)nc42)CC3)CC1 ZINC001165002178 722239753 /nfs/dbraw/zinc/23/97/53/722239753.db2.gz QAVOJECHCKAROW-UHFFFAOYSA-N 1 1 443.382 3.689 20 0 IHADMO COc1cc(Br)c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1O ZINC000679345628 1126105570 /nfs/dbraw/zinc/10/55/70/1126105570.db2.gz OWWZXVLAJNLXHY-WMLDXEAASA-N 1 1 434.252 3.787 20 0 IHADMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000038845966 563098550 /nfs/dbraw/zinc/09/85/50/563098550.db2.gz ACVRIGSOUNTLCT-LBPRGKRZSA-N 1 1 428.373 3.783 20 0 IHADMO COC(=O)[C@@]1(C)CCCN1c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164389941 718805395 /nfs/dbraw/zinc/80/53/95/718805395.db2.gz LPOVJYFPCRGJIG-HSZRJFAPSA-N 1 1 428.602 3.944 20 0 IHADMO COC(=O)[C@@]1(C)CCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164391961 718805417 /nfs/dbraw/zinc/80/54/17/718805417.db2.gz XFSBBLFTGRLGDM-NPMXOYFQSA-N 1 1 428.602 3.944 20 0 IHADMO CCOC(=O)[C@]12C[C@H]1CCN2c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164619736 719041809 /nfs/dbraw/zinc/04/18/09/719041809.db2.gz DTHHANITOVELFV-JOWJHRDDSA-N 1 1 440.613 3.944 20 0 IHADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4nc5ccccc5nc4N4CCOCC4)[C@@H]3C2)cc1 ZINC001164625962 719076953 /nfs/dbraw/zinc/07/69/53/719076953.db2.gz NTKQIWQBXJGHGM-ZJSXRUAMSA-N 1 1 429.568 3.567 20 0 IHADMO COc1ccc(OC)c(-c2ccc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nn2)c1 ZINC001164653567 719316505 /nfs/dbraw/zinc/31/65/05/719316505.db2.gz VZQFXRGQUZMCOC-UHFFFAOYSA-N 1 1 436.560 3.563 20 0 IHADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]cnc3[nH]c(C)cc31)CC2 ZINC001164664526 719348629 /nfs/dbraw/zinc/34/86/29/719348629.db2.gz WYSIHFHDIYHVQK-UHFFFAOYSA-N 1 1 427.556 3.961 20 0 IHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1 ZINC001164677484 719561859 /nfs/dbraw/zinc/56/18/59/719561859.db2.gz OFWXTSAIFHZFJW-PKTZIBPZSA-N 1 1 438.616 3.650 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)CC2 ZINC001164683909 719710018 /nfs/dbraw/zinc/71/00/18/719710018.db2.gz LXZUJLYGWPZKKG-UHFFFAOYSA-N 1 1 442.778 3.771 20 0 IHADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c12 ZINC001164690824 719805785 /nfs/dbraw/zinc/80/57/85/719805785.db2.gz AGDIDXYGDWLKPB-UHFFFAOYSA-N 1 1 440.573 3.535 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nn1)CC2 ZINC001164709640 720102248 /nfs/dbraw/zinc/10/22/48/720102248.db2.gz BTESTNSAHADXQI-KRWDZBQOSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccnc31)CC2 ZINC001164712058 720104139 /nfs/dbraw/zinc/10/41/39/720104139.db2.gz UUYOUXUSVMOKPQ-GOSISDBHSA-N 1 1 438.963 3.581 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(Cl)nc1SC)CC2 ZINC001164714309 720117487 /nfs/dbraw/zinc/11/74/87/720117487.db2.gz BUXGYPFUKLUCBM-KRWDZBQOSA-N 1 1 434.009 3.754 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)c3cc(OC)ccc3n1)CC2 ZINC001164716940 720124596 /nfs/dbraw/zinc/12/45/96/720124596.db2.gz LYSYNUZNZIVTPU-NRFANRHFSA-N 1 1 447.583 3.849 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)nc(-c3ccc(Cl)nc3)n1)C2 ZINC001164815066 720191206 /nfs/dbraw/zinc/19/12/06/720191206.db2.gz HTUBQTBQTQHXJG-CVDCTZTESA-N 1 1 427.980 3.685 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001164810838 720195548 /nfs/dbraw/zinc/19/55/48/720195548.db2.gz DOKAVYYVJBPAMI-RDPSFJRHSA-N 1 1 442.991 3.894 20 0 IHADMO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)ccc2C[NH+]2CCCC2)cs1 ZINC001164817065 720255393 /nfs/dbraw/zinc/25/53/93/720255393.db2.gz OQMLSFDITGCAPV-RTBURBONSA-N 1 1 446.020 3.866 20 0 IHADMO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2cc1OC ZINC001164723857 720366514 /nfs/dbraw/zinc/36/65/14/720366514.db2.gz HTGXYZLKCPEWJR-MSOLQXFVSA-N 1 1 425.920 3.549 20 0 IHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732824 720416670 /nfs/dbraw/zinc/41/66/70/720416670.db2.gz OLSDSKNFYAZJAX-OALUTQOASA-N 1 1 431.874 3.956 20 0 IHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732824 720416682 /nfs/dbraw/zinc/41/66/82/720416682.db2.gz OLSDSKNFYAZJAX-OALUTQOASA-N 1 1 431.874 3.956 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](CC(=O)NC(C)C)[C@H]3C2)nc1 ZINC001164824932 720424271 /nfs/dbraw/zinc/42/42/71/720424271.db2.gz MSSVAMFMZHFPCM-WBADGQHESA-N 1 1 428.621 3.632 20 0 IHADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164730269 720427790 /nfs/dbraw/zinc/42/77/90/720427790.db2.gz JDQKWXHBKRPKCX-UXHICEINSA-N 1 1 437.931 3.708 20 0 IHADMO O=C(c1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)c1)N1CCCCC1 ZINC001164733373 720448799 /nfs/dbraw/zinc/44/87/99/720448799.db2.gz PIRHNLSQIVBZNX-LEWJYISDSA-N 1 1 425.964 3.609 20 0 IHADMO O=C(c1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)c1)N1CCCCC1 ZINC001164733373 720448807 /nfs/dbraw/zinc/44/88/07/720448807.db2.gz PIRHNLSQIVBZNX-LEWJYISDSA-N 1 1 425.964 3.609 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccnc(Cl)c3F)CC[C@@H]21 ZINC001164832376 720511170 /nfs/dbraw/zinc/51/11/70/720511170.db2.gz AJLAOUXCEHNNRS-ZOBUZTSGSA-N 1 1 427.902 3.993 20 0 IHADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164833651 720511338 /nfs/dbraw/zinc/51/13/38/720511338.db2.gz DLTDTJZTPMJSPJ-CMKODMSKSA-N 1 1 445.995 3.794 20 0 IHADMO CSc1nc2sccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835364 720514178 /nfs/dbraw/zinc/51/41/78/720514178.db2.gz KFHADAMNVODOER-XYJFISCASA-N 1 1 428.631 3.988 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nnc(Cl)cc3-c3ccncc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841726 720517267 /nfs/dbraw/zinc/51/72/67/720517267.db2.gz ZUCZNOZRSINMOQ-IRFCIJBXSA-N 1 1 437.979 3.766 20 0 IHADMO CSc1nc2ccsc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834632 720536569 /nfs/dbraw/zinc/53/65/69/720536569.db2.gz FKMOLOUJGYPXIS-JFIYKMOQSA-N 1 1 428.631 3.988 20 0 IHADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)s1 ZINC001164842153 720553841 /nfs/dbraw/zinc/55/38/41/720553841.db2.gz WZSDOUDUQSKAQF-OWCLPIDISA-N 1 1 431.997 3.622 20 0 IHADMO COc1cccc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)n2)c1 ZINC001164833602 720573052 /nfs/dbraw/zinc/57/30/52/720573052.db2.gz AOSLXOAGTGVEBL-ZFGGDYGUSA-N 1 1 432.572 3.727 20 0 IHADMO CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncn1 ZINC001164840147 720573764 /nfs/dbraw/zinc/57/37/64/720573764.db2.gz RWQOEUGKWYDCSI-BHDDXSALSA-N 1 1 425.625 3.677 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(OCc4ccccc4)cn3)CC[C@@H]21 ZINC001164841501 720579853 /nfs/dbraw/zinc/57/98/53/720579853.db2.gz SJZSFJMFIHIDIM-VJBWXMMDSA-N 1 1 432.572 3.630 20 0 IHADMO COC(=O)c1ccc2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ncc2c1 ZINC001164836333 720594261 /nfs/dbraw/zinc/59/42/61/720594261.db2.gz FTCGCAWHROYDJR-YTFSRNRJSA-N 1 1 433.556 3.596 20 0 IHADMO COc1ccccc1-c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164836277 720614302 /nfs/dbraw/zinc/61/43/02/720614302.db2.gz FOPLVUJERITQEI-TXTKFYIRSA-N 1 1 432.572 3.727 20 0 IHADMO Cc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164745800 720725032 /nfs/dbraw/zinc/72/50/32/720725032.db2.gz VTJZSGCWVLIBEY-SFTDATJTSA-N 1 1 438.535 3.737 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)nc1 ZINC001164843452 720743334 /nfs/dbraw/zinc/74/33/34/720743334.db2.gz JZYHMPWZHHSQKA-QHCPKHFHSA-N 1 1 447.631 3.965 20 0 IHADMO CC[N@@H+]1CCCC[C@H]1c1ccc(N(c2nc(N3CCCC3)nc3c2CNCC3)C2CC2)nc1 ZINC001164843452 720743339 /nfs/dbraw/zinc/74/33/39/720743339.db2.gz JZYHMPWZHHSQKA-QHCPKHFHSA-N 1 1 447.631 3.965 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N(c2nc(N3CCCC3)nc3c2CNCC3)C2CC2)nc1 ZINC001164843452 720743344 /nfs/dbraw/zinc/74/33/44/720743344.db2.gz JZYHMPWZHHSQKA-QHCPKHFHSA-N 1 1 447.631 3.965 20 0 IHADMO COC[C@@]12CCCO[C@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164849947 720827557 /nfs/dbraw/zinc/82/75/57/720827557.db2.gz RILWOEBRTZMWFF-MBSDFSHPSA-N 1 1 430.618 3.926 20 0 IHADMO Cc1nc2cc(Cl)ccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743256 720829418 /nfs/dbraw/zinc/82/94/18/720829418.db2.gz RRYKBSSTYNOERD-LQBOVUBWSA-N 1 1 437.979 3.563 20 0 IHADMO Cc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164739193 720831622 /nfs/dbraw/zinc/83/16/22/720831622.db2.gz HPHBFLSVCYSTEU-RCCFBDPRSA-N 1 1 436.938 3.559 20 0 IHADMO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739977 720834049 /nfs/dbraw/zinc/83/40/49/720834049.db2.gz BEYAJYOZWAFEOS-RCCFBDPRSA-N 1 1 436.938 3.559 20 0 IHADMO c1ncn(C[C@H]2C[C@H]3CN(c4cccc(OCc5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741619 720840297 /nfs/dbraw/zinc/84/02/97/720840297.db2.gz FLRKZCVGHOAPEI-RBZQAINGSA-N 1 1 444.583 3.632 20 0 IHADMO Clc1cccc(-c2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncn2)c1 ZINC001164741662 720849730 /nfs/dbraw/zinc/84/97/30/720849730.db2.gz FMRWGYYDDOYHPK-KJXAQDMKSA-N 1 1 449.990 3.768 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@@H]2C1 ZINC001164857109 720850285 /nfs/dbraw/zinc/85/02/85/720850285.db2.gz XKKIRYJHNXHORG-VQIMIIECSA-N 1 1 425.907 3.607 20 0 IHADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164745184 720850265 /nfs/dbraw/zinc/85/02/65/720850265.db2.gz MKXNTOSARIHRJT-TZBSWOFLSA-N 1 1 443.599 3.731 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753063 720857617 /nfs/dbraw/zinc/85/76/17/720857617.db2.gz VUOJMOZQNUBGQF-ODGPQVTHSA-N 1 1 447.562 3.562 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@@H]2C1 ZINC001164856062 720865695 /nfs/dbraw/zinc/86/56/95/720865695.db2.gz OHJVMWBCSHDDMO-APWZRJJASA-N 1 1 425.907 3.607 20 0 IHADMO c1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164751661 720868181 /nfs/dbraw/zinc/86/81/81/720868181.db2.gz LUYRBEJWLPUDIX-JYFHCDHNSA-N 1 1 429.568 3.780 20 0 IHADMO Clc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752363 720872505 /nfs/dbraw/zinc/87/25/05/720872505.db2.gz MQAQKCVWULJMCQ-XMSQKQJNSA-N 1 1 448.398 3.934 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4sc(C)c(-c5ccccc5)c43)CC[C@@H]2C1 ZINC001164859139 720876261 /nfs/dbraw/zinc/87/62/61/720876261.db2.gz LUDZRJMQFHCIHX-UXHICEINSA-N 1 1 438.597 3.840 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)CC[C@@H]2C1 ZINC001164854670 720883487 /nfs/dbraw/zinc/88/34/87/720883487.db2.gz FTHZDFPVWXLXLI-CRAIPNDOSA-N 1 1 449.020 3.521 20 0 IHADMO CC(C)(C)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757758 720884768 /nfs/dbraw/zinc/88/47/68/720884768.db2.gz VLJREPGPGPHUHT-ATIYNZHBSA-N 1 1 435.616 3.924 20 0 IHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4ncccc4n2)C3)c1 ZINC001164752570 720886055 /nfs/dbraw/zinc/88/60/55/720886055.db2.gz FDVZJOMVPIERFF-ATIYNZHBSA-N 1 1 429.568 3.780 20 0 IHADMO Cc1cnc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755996 720892482 /nfs/dbraw/zinc/89/24/82/720892482.db2.gz NYJPVVRVSAANHH-REWPJTCUSA-N 1 1 427.980 3.589 20 0 IHADMO CCc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752650 720931534 /nfs/dbraw/zinc/93/15/34/720931534.db2.gz OHVSZJWXFCZVJJ-HYBUGGRVSA-N 1 1 442.007 3.843 20 0 IHADMO COC(=O)C[C@@H](c1ccnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1)C1CC1 ZINC001164861878 720997743 /nfs/dbraw/zinc/99/77/43/720997743.db2.gz RADBPVQSCAXRKY-LAUBAEHRSA-N 1 1 425.577 3.756 20 0 IHADMO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)nc5c4CCNC5)CC3)CC2)cc1 ZINC001164759515 721042799 /nfs/dbraw/zinc/04/27/99/721042799.db2.gz NUYMBIKMBUJUJY-UHFFFAOYSA-N 1 1 426.008 3.967 20 0 IHADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865819 721049918 /nfs/dbraw/zinc/04/99/18/721049918.db2.gz AEDVFTCPPDTRIG-HOTGVXAUSA-N 1 1 429.298 3.808 20 0 IHADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870712 721055018 /nfs/dbraw/zinc/05/50/18/721055018.db2.gz WVHPFXCYXJGWIP-HUUCEWRRSA-N 1 1 429.298 3.808 20 0 IHADMO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871472 721059443 /nfs/dbraw/zinc/05/94/43/721059443.db2.gz YYVRINMHZJISDL-ROUUACIJSA-N 1 1 445.901 3.703 20 0 IHADMO Clc1cnc2cc(Cl)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cc2n1 ZINC001164865397 721079120 /nfs/dbraw/zinc/07/91/20/721079120.db2.gz KZTIOKBGESQCKJ-JKSUJKDBSA-N 1 1 430.339 3.811 20 0 IHADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865136 721085787 /nfs/dbraw/zinc/08/57/87/721085787.db2.gz IPWLPBZSYPUENU-HUUCEWRRSA-N 1 1 429.298 3.808 20 0 IHADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865137 721086329 /nfs/dbraw/zinc/08/63/29/721086329.db2.gz IPWLPBZSYPUENU-LSDHHAIUSA-N 1 1 429.298 3.808 20 0 IHADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865134 721086664 /nfs/dbraw/zinc/08/66/64/721086664.db2.gz IPWLPBZSYPUENU-CABCVRRESA-N 1 1 429.298 3.808 20 0 IHADMO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164881204 721139898 /nfs/dbraw/zinc/13/98/98/721139898.db2.gz ZVQNAZRAWLIONE-FGZHOGPDSA-N 1 1 438.535 3.567 20 0 IHADMO CSc1ccc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164772289 721152210 /nfs/dbraw/zinc/15/22/10/721152210.db2.gz VGAFTVPFWAZJPX-LSDHHAIUSA-N 1 1 427.952 3.694 20 0 IHADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871577 721156556 /nfs/dbraw/zinc/15/65/56/721156556.db2.gz FUCOBLVSMMPFGW-DHIUTWEWSA-N 1 1 429.568 3.710 20 0 IHADMO c1cc2c(nc(-c3ccccn3)nc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164880452 721173498 /nfs/dbraw/zinc/17/34/98/721173498.db2.gz WSOJUFRVSNBWMN-RBUKOAKNSA-N 1 1 444.564 3.628 20 0 IHADMO c1cc2c(nc(-c3ccncc3)nc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164878515 721174013 /nfs/dbraw/zinc/17/40/13/721174013.db2.gz QJGPJYPUHLNKOM-VQTJNVASSA-N 1 1 444.564 3.628 20 0 IHADMO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869276 721186613 /nfs/dbraw/zinc/18/66/13/721186613.db2.gz PWKSGWYWBLCQHT-GOEBONIOSA-N 1 1 445.297 3.688 20 0 IHADMO FC(F)(N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164871761 721190868 /nfs/dbraw/zinc/19/08/68/721190868.db2.gz ZWYZDIDCLPQFQX-MOPGFXCFSA-N 1 1 434.918 3.730 20 0 IHADMO FC(F)(N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164870834 721191495 /nfs/dbraw/zinc/19/14/95/721191495.db2.gz WMJXPGYNVMUUEJ-RBUKOAKNSA-N 1 1 434.918 3.730 20 0 IHADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164763272 721238221 /nfs/dbraw/zinc/23/82/21/721238221.db2.gz NALTZDGNPLRHRS-OALUTQOASA-N 1 1 438.963 3.923 20 0 IHADMO CSc1nc(Cl)cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164775795 721333360 /nfs/dbraw/zinc/33/33/60/721333360.db2.gz AHBHPDMGYMABJK-FQEVSTJZSA-N 1 1 437.997 3.576 20 0 IHADMO CSc1nc(Cl)cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164775795 721333364 /nfs/dbraw/zinc/33/33/64/721333364.db2.gz AHBHPDMGYMABJK-FQEVSTJZSA-N 1 1 437.997 3.576 20 0 IHADMO COc1cccc2ccc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc21 ZINC001164776844 721342228 /nfs/dbraw/zinc/34/22/28/721342228.db2.gz DHOCXGDGKPDXAR-RUZDIDTESA-N 1 1 436.556 3.967 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@]3(C(=O)NCC3CC3)C2)nc1 ZINC001164881748 721345508 /nfs/dbraw/zinc/34/55/08/721345508.db2.gz AMZSRTHSQSNZQT-RQTOMXEWSA-N 1 1 426.605 3.530 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4cccs4)nn3)C2)C1 ZINC001164782254 721357487 /nfs/dbraw/zinc/35/74/87/721357487.db2.gz LQUCYXWVIQQLOQ-QHCPKHFHSA-N 1 1 439.585 3.929 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4cccs4)nn3)C2)C1 ZINC001164782254 721357494 /nfs/dbraw/zinc/35/74/94/721357494.db2.gz LQUCYXWVIQQLOQ-QHCPKHFHSA-N 1 1 439.585 3.929 20 0 IHADMO COc1ccc2ccnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164784274 721360996 /nfs/dbraw/zinc/36/09/96/721360996.db2.gz RDFWWJKZHLBBSV-VWLOTQADSA-N 1 1 436.556 3.967 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccccn4)n3)C2)C1 ZINC001164786041 721365603 /nfs/dbraw/zinc/36/56/03/721365603.db2.gz UZCVGCDVYANFGO-RUZDIDTESA-N 1 1 448.571 3.571 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccccn4)n3)C2)C1 ZINC001164786041 721365605 /nfs/dbraw/zinc/36/56/05/721365605.db2.gz UZCVGCDVYANFGO-RUZDIDTESA-N 1 1 448.571 3.571 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccncc4)n3)C2)C1 ZINC001164782283 721365830 /nfs/dbraw/zinc/36/58/30/721365830.db2.gz MEWKORXIZPKLEW-RUZDIDTESA-N 1 1 448.571 3.571 20 0 IHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)nc1 ZINC001164892175 721377256 /nfs/dbraw/zinc/37/72/56/721377256.db2.gz RZVJNCQZRYGUPU-GMAHTHKFSA-N 1 1 434.650 3.803 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4Cl)C3)O2)CC1 ZINC001164890537 721387781 /nfs/dbraw/zinc/38/77/81/721387781.db2.gz NYUSAMKXMNBXEL-HNAYVOBHSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4c(Cl)cc(Cl)nc4Cl)C3)O2)CC1 ZINC001164889185 721396532 /nfs/dbraw/zinc/39/65/32/721396532.db2.gz KQPRPFGTFRAUPN-AUUYWEPGSA-N 1 1 433.811 3.807 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc5ccc(F)cc54)C3)O2)CC1 ZINC001164886093 721397090 /nfs/dbraw/zinc/39/70/90/721397090.db2.gz DLAXQVDFGASZJF-AUSIDOKSSA-N 1 1 432.971 3.793 20 0 IHADMO O=C(c1ccccc1)n1ccc2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc21 ZINC001164786425 721423111 /nfs/dbraw/zinc/42/31/11/721423111.db2.gz OYVFQWWRVHHBLX-PMACEKPBSA-N 1 1 429.549 3.750 20 0 IHADMO Cc1nc(C2CCCCC2)cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164897711 721430269 /nfs/dbraw/zinc/43/02/69/721430269.db2.gz UNCGACTXXQSEBV-RDGATRHJSA-N 1 1 427.637 3.598 20 0 IHADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164790504 721436819 /nfs/dbraw/zinc/43/68/19/721436819.db2.gz YGFYLCXXZIFDKT-GASCZTMLSA-N 1 1 443.960 3.956 20 0 IHADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164790504 721436821 /nfs/dbraw/zinc/43/68/21/721436821.db2.gz YGFYLCXXZIFDKT-GASCZTMLSA-N 1 1 443.960 3.956 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(Cl)nc4-c4ccccc4)C3)O2)CC1 ZINC001164895431 721440104 /nfs/dbraw/zinc/44/01/04/721440104.db2.gz PADNOPHSWQWJFT-YKSBVNFPSA-N 1 1 442.007 3.562 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(Cl)ccc(F)c5n4)C3)O2)CC1 ZINC001164890221 721446748 /nfs/dbraw/zinc/44/67/48/721446748.db2.gz CKWACLTWENCSPF-HXOBKFHXSA-N 1 1 432.971 3.793 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3sccc31)CC2 ZINC001164783878 721448524 /nfs/dbraw/zinc/44/85/24/721448524.db2.gz CWKXDMQASFZZKR-LJQANCHMSA-N 1 1 430.618 3.734 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C5CCCCC5)n4)C3)O2)CC1 ZINC001164887760 721448683 /nfs/dbraw/zinc/44/86/83/721448683.db2.gz JYYDOKYNVDFKES-HYBUGGRVSA-N 1 1 448.055 3.943 20 0 IHADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164886468 721453993 /nfs/dbraw/zinc/45/39/93/721453993.db2.gz GRHRCXWITMVOAM-GBXCKJPGSA-N 1 1 445.007 3.662 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1SC)CC2 ZINC001164789852 721460983 /nfs/dbraw/zinc/46/09/83/721460983.db2.gz XSAJEQKXDZIJOR-QGZVFWFLSA-N 1 1 441.041 3.586 20 0 IHADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792634 721493987 /nfs/dbraw/zinc/49/39/87/721493987.db2.gz SRYRQIFJKCAZAR-UHFFFAOYSA-N 1 1 443.979 3.512 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164809564 721529217 /nfs/dbraw/zinc/52/92/17/721529217.db2.gz VKBRVOFSQWYZHM-JJRVBVJISA-N 1 1 444.313 3.592 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164809564 721529221 /nfs/dbraw/zinc/52/92/21/721529221.db2.gz VKBRVOFSQWYZHM-JJRVBVJISA-N 1 1 444.313 3.592 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164801584 721533117 /nfs/dbraw/zinc/53/31/17/721533117.db2.gz FTTSWDBFWAARAR-JJRVBVJISA-N 1 1 444.313 3.592 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164801584 721533119 /nfs/dbraw/zinc/53/31/19/721533119.db2.gz FTTSWDBFWAARAR-JJRVBVJISA-N 1 1 444.313 3.592 20 0 IHADMO Cc1nc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(Cl)c1C ZINC001164908059 721542444 /nfs/dbraw/zinc/54/24/44/721542444.db2.gz OQEZZRMYRPYBOE-DOTOQJQBSA-N 1 1 426.870 3.773 20 0 IHADMO CC(C)(C)c1noc(-c2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)n1 ZINC001164912311 721549625 /nfs/dbraw/zinc/54/96/25/721549625.db2.gz YSGNMMYEZUQMAP-UYAOXDASSA-N 1 1 437.519 3.910 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)CC[N@H+]3C2)c1 ZINC001164911093 721554891 /nfs/dbraw/zinc/55/48/91/721554891.db2.gz YKBGASAESNVBAJ-GDBMZVCRSA-N 1 1 438.881 3.645 20 0 IHADMO COc1ccc2nc(Cl)cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2n1 ZINC001164808022 721558400 /nfs/dbraw/zinc/55/84/00/721558400.db2.gz ULFGYNVBKLEFCS-FHJLPGHOSA-N 1 1 439.947 3.555 20 0 IHADMO Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164909655 721563772 /nfs/dbraw/zinc/56/37/72/721563772.db2.gz UMYZEWLWPUQJDP-QUCCMNQESA-N 1 1 439.922 3.981 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(Oc3cccc(F)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164809929 721568398 /nfs/dbraw/zinc/56/83/98/721568398.db2.gz YIIVOSUVCTYEKP-IMSXRSKXSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(Oc3cccc(F)c3)n2)[C@H]2CCCO[C@H]12 ZINC001164809929 721568402 /nfs/dbraw/zinc/56/84/02/721568402.db2.gz YIIVOSUVCTYEKP-IMSXRSKXSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)nccc32)[C@H]2CCCO[C@@H]12 ZINC001164808757 721574627 /nfs/dbraw/zinc/57/46/27/721574627.db2.gz VNUAUMZRLHFNES-LZLYRXPVSA-N 1 1 445.354 3.595 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)nccc32)[C@H]2CCCO[C@@H]12 ZINC001164808757 721574630 /nfs/dbraw/zinc/57/46/30/721574630.db2.gz VNUAUMZRLHFNES-LZLYRXPVSA-N 1 1 445.354 3.595 20 0 IHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC001164902539 721580678 /nfs/dbraw/zinc/58/06/78/721580678.db2.gz FZACCEXAROENQW-DHLKQENFSA-N 1 1 436.604 3.684 20 0 IHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC001164902545 721580847 /nfs/dbraw/zinc/58/08/47/721580847.db2.gz FZACCEXAROENQW-WIOPSUGQSA-N 1 1 436.604 3.684 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(F)cc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164810231 721582744 /nfs/dbraw/zinc/58/27/44/721582744.db2.gz VJRXVVKFIOMMCL-QZNHQXDQSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(F)cc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164810231 721582745 /nfs/dbraw/zinc/58/27/45/721582745.db2.gz VJRXVVKFIOMMCL-QZNHQXDQSA-N 1 1 435.503 3.671 20 0 IHADMO COC(=O)c1cc(Cl)cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907099 721585270 /nfs/dbraw/zinc/58/52/70/721585270.db2.gz ROAGDIOELGQYTB-FQEVSTJZSA-N 1 1 436.890 3.654 20 0 IHADMO CCN(c1ccccc1)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncn1 ZINC001164807665 721586082 /nfs/dbraw/zinc/58/60/82/721586082.db2.gz PDPJUOCSVZTIGB-UMFSSWHCSA-N 1 1 444.583 3.898 20 0 IHADMO COC(=O)c1c(Cl)ccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907063 721586443 /nfs/dbraw/zinc/58/64/43/721586443.db2.gz QUBKCGWLAMBKDG-HXUWFJFHSA-N 1 1 436.890 3.654 20 0 IHADMO FC(F)(c1nccc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907900 721587137 /nfs/dbraw/zinc/58/71/37/721587137.db2.gz WFHAZMKQQLLWBI-KRWDZBQOSA-N 1 1 429.849 3.808 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)nc2C2CC2)[C@@H]2CCCO[C@H]12 ZINC001164811358 721590156 /nfs/dbraw/zinc/59/01/56/721590156.db2.gz XLZLQHZNHYNCPP-MDZRGWNJSA-N 1 1 434.371 3.924 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)nc2C2CC2)[C@@H]2CCCO[C@H]12 ZINC001164811358 721590157 /nfs/dbraw/zinc/59/01/57/721590157.db2.gz XLZLQHZNHYNCPP-MDZRGWNJSA-N 1 1 434.371 3.924 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c32)[C@H]2CCCO[C@@H]12 ZINC001164804084 721591133 /nfs/dbraw/zinc/59/11/33/721591133.db2.gz IGFIQCUGVFXXSQ-TUNNFDKTSA-N 1 1 432.503 3.513 20 0 IHADMO CCOC(=O)c1cc(C)cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906813 721705320 /nfs/dbraw/zinc/70/53/20/721705320.db2.gz ONIGCHPKSPBIBB-JOCHJYFZSA-N 1 1 430.499 3.699 20 0 IHADMO CN(C)C(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164912597 721726020 /nfs/dbraw/zinc/72/60/20/721726020.db2.gz OFFUEMSXSMRKOY-OAQYLSRUSA-N 1 1 449.933 3.570 20 0 IHADMO COc1cccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164913463 721726160 /nfs/dbraw/zinc/72/61/60/721726160.db2.gz VXRDTIIXWOZACU-QFIPXVFZSA-N 1 1 425.483 3.771 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(NC(=O)OC(C)(C)C)n3)C[C@H]21 ZINC001165023317 721807596 /nfs/dbraw/zinc/80/75/96/721807596.db2.gz JGNJUSYICMOVSN-MISYRCLQSA-N 1 1 438.576 3.956 20 0 IHADMO COc1cc2ncc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2cc1OC ZINC001165020764 721810371 /nfs/dbraw/zinc/81/03/71/721810371.db2.gz CWERIWZWZTYKEP-KPLVRAHFSA-N 1 1 433.556 3.779 20 0 IHADMO COC(=O)c1cc2ccncc2nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021639 721814875 /nfs/dbraw/zinc/81/48/75/721814875.db2.gz FNBVTIULMRFFJM-AVCGJXAMSA-N 1 1 431.540 3.548 20 0 IHADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020683 721831325 /nfs/dbraw/zinc/83/13/25/721831325.db2.gz DEGLGTTZURCETO-KCITZHQASA-N 1 1 443.979 3.538 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cnnc(Cl)c2)CC1 ZINC001165021238 721841202 /nfs/dbraw/zinc/84/12/02/721841202.db2.gz IYIJDXQYKRANJC-UHFFFAOYSA-N 1 1 426.895 3.793 20 0 IHADMO C[N@@H+](Cc1ccc(N2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)nc1)C1CC1 ZINC001164928215 721899093 /nfs/dbraw/zinc/89/90/93/721899093.db2.gz MSCFNSGGQSPSKZ-SANMLTNESA-N 1 1 427.552 3.811 20 0 IHADMO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165038822 721908640 /nfs/dbraw/zinc/90/86/40/721908640.db2.gz PERAIVZWYMQLSO-ZDUSSCGKSA-N 1 1 433.286 3.662 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)nc1 ZINC001164948297 721962040 /nfs/dbraw/zinc/96/20/40/721962040.db2.gz SVMCNSRSKQFDFE-SMIHKQSGSA-N 1 1 439.604 3.713 20 0 IHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164945846 721972239 /nfs/dbraw/zinc/97/22/39/721972239.db2.gz TXFOCINQJLRLOI-UHFFFAOYSA-N 1 1 438.934 3.998 20 0 IHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164945846 721972242 /nfs/dbraw/zinc/97/22/42/721972242.db2.gz TXFOCINQJLRLOI-UHFFFAOYSA-N 1 1 438.934 3.998 20 0 IHADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(C4)OCCO5)c23)C1 ZINC001165047855 721985365 /nfs/dbraw/zinc/98/53/65/721985365.db2.gz RUVGAYMIDVVVBT-INIZCTEOSA-N 1 1 428.602 3.755 20 0 IHADMO COC[C@]12COC[C@@H]1CN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001164948040 721994985 /nfs/dbraw/zinc/99/49/85/721994985.db2.gz DBBHWVVNYPGVJA-BXKMTCNYSA-N 1 1 442.629 3.511 20 0 IHADMO COC(=O)c1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2ccccc2c1OC ZINC001164962050 722023608 /nfs/dbraw/zinc/02/36/08/722023608.db2.gz OULVGOHXLCZSSB-UHFFFAOYSA-N 1 1 446.551 3.918 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)nc1 ZINC001164960979 722029968 /nfs/dbraw/zinc/02/99/68/722029968.db2.gz VHHYRKJTRIYUGC-FBPBVXOASA-N 1 1 426.536 3.978 20 0 IHADMO Cc1ccc(N2C[C@@]3(CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)C3)CC2=O)s1 ZINC001164960111 722044396 /nfs/dbraw/zinc/04/43/96/722044396.db2.gz JCFYQDIQCOGJSM-QHCPKHFHSA-N 1 1 426.586 3.558 20 0 IHADMO FC(F)(Oc1cccnc1Cl)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959421 722053998 /nfs/dbraw/zinc/05/39/98/722053998.db2.gz JACXJARLJLMGGS-UHFFFAOYSA-N 1 1 438.906 3.674 20 0 IHADMO COC(=O)c1ccc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164963184 722054845 /nfs/dbraw/zinc/05/48/45/722054845.db2.gz HZHMPDPGZWJNER-UHFFFAOYSA-N 1 1 446.551 3.535 20 0 IHADMO Fc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963866 722055921 /nfs/dbraw/zinc/05/59/21/722055921.db2.gz OXLNZQAAMVKQOK-UHFFFAOYSA-N 1 1 440.897 3.933 20 0 IHADMO CCCN(CCC)c1cncc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164959993 722058231 /nfs/dbraw/zinc/05/82/31/722058231.db2.gz BVAKPHZDZXUWSK-UHFFFAOYSA-N 1 1 438.620 3.617 20 0 IHADMO COC(=O)c1cccc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ccc21 ZINC001164960012 722060933 /nfs/dbraw/zinc/06/09/33/722060933.db2.gz CQLAKMGXNRPPTA-UHFFFAOYSA-N 1 1 446.551 3.535 20 0 IHADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967280 722070658 /nfs/dbraw/zinc/07/06/58/722070658.db2.gz LZBAOWMIMJNIAJ-OKILXGFUSA-N 1 1 429.298 3.781 20 0 IHADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967280 722070660 /nfs/dbraw/zinc/07/06/60/722070660.db2.gz LZBAOWMIMJNIAJ-OKILXGFUSA-N 1 1 429.298 3.781 20 0 IHADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967174 722075848 /nfs/dbraw/zinc/07/58/48/722075848.db2.gz MHDZILYNIOYUNU-OKILXGFUSA-N 1 1 426.920 3.703 20 0 IHADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967174 722075849 /nfs/dbraw/zinc/07/58/49/722075849.db2.gz MHDZILYNIOYUNU-OKILXGFUSA-N 1 1 426.920 3.703 20 0 IHADMO O=C(NC1CCC1)C1C[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164973367 722084675 /nfs/dbraw/zinc/08/46/75/722084675.db2.gz NOYSBJAAHPTGLE-GOTSBHOMSA-N 1 1 430.596 3.771 20 0 IHADMO Clc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(-c2ccccc2)n1 ZINC001164982267 722147155 /nfs/dbraw/zinc/14/71/55/722147155.db2.gz RLQJBLPANDMYBG-NHCUHLMSSA-N 1 1 435.959 3.919 20 0 IHADMO Fc1ccc(COc2cccnc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164983797 722147475 /nfs/dbraw/zinc/14/74/75/722147475.db2.gz UXZKQHOMRKTZCY-RDGATRHJSA-N 1 1 448.542 3.922 20 0 IHADMO Fc1ccc2nc(C(F)F)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974657 722151892 /nfs/dbraw/zinc/15/18/92/722151892.db2.gz OUBSCWIHZBQOLD-JXFKEZNVSA-N 1 1 443.473 3.829 20 0 IHADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973897 722154158 /nfs/dbraw/zinc/15/41/58/722154158.db2.gz NMGDSDWGXHNNLX-HYBUGGRVSA-N 1 1 433.531 3.713 20 0 IHADMO Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1-c1ccccc1F ZINC001164971585 722154907 /nfs/dbraw/zinc/15/49/07/722154907.db2.gz BXHSKBXQOMAWTQ-REWPJTCUSA-N 1 1 433.531 3.713 20 0 IHADMO COc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(N2CCCCCC2)n1 ZINC001164997249 722207958 /nfs/dbraw/zinc/20/79/58/722207958.db2.gz XONROWTZRGDNJY-DEOSSOPVSA-N 1 1 440.567 3.645 20 0 IHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(-c4ccccc4)cc(Cl)n2)CC3)CC1 ZINC001164997801 722233024 /nfs/dbraw/zinc/23/30/24/722233024.db2.gz WWETWOABAPVGCZ-UHFFFAOYSA-N 1 1 434.975 3.549 20 0 IHADMO Cc1nc(CO[C@H]2COC3(C2)CCN(c2ccc(C[N@H+](C)C4CC4)cn2)CC3)cs1 ZINC001165006990 722273118 /nfs/dbraw/zinc/27/31/18/722273118.db2.gz SHYZFPRZPXTTQR-OAQYLSRUSA-N 1 1 428.602 3.785 20 0 IHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5OCC(F)(F)[C@H]5C4)c32)C1 ZINC001164424119 718929472 /nfs/dbraw/zinc/92/94/72/718929472.db2.gz LMDLNPIKMCFLRP-KBMXLJTQSA-N 1 1 434.556 3.882 20 0 IHADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624945 719083891 /nfs/dbraw/zinc/08/38/91/719083891.db2.gz MBXNIYTUALUDDL-ZWKOTPCHSA-N 1 1 448.398 3.721 20 0 IHADMO CCOC(=O)c1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C(=O)OCC ZINC001164621623 719113875 /nfs/dbraw/zinc/11/38/75/719113875.db2.gz AJGDCPDXRUMBDX-CTNGQTDRSA-N 1 1 437.540 3.536 20 0 IHADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4O[C@H](c5nc(C6CC6)cs5)C[C@H]4C3)c2)CC1 ZINC001164649384 719290869 /nfs/dbraw/zinc/29/08/69/719290869.db2.gz WNDUBFGNCJHAPZ-NDXORKPFSA-N 1 1 426.586 3.855 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](N3CCCC3=O)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164649741 719305750 /nfs/dbraw/zinc/30/57/50/719305750.db2.gz XPDOHRVDCCWERL-IYXIZZNPSA-N 1 1 426.605 3.625 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CC2 ZINC001164653767 719315894 /nfs/dbraw/zinc/31/58/94/719315894.db2.gz ZKAQBZUAVVGYFR-UHFFFAOYSA-N 1 1 448.571 3.707 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164654656 719326343 /nfs/dbraw/zinc/32/63/43/719326343.db2.gz MNQCIVGRCCCSSL-JTKRFKOTSA-N 1 1 440.632 3.919 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)CC3CC3)C2)nc1 ZINC001164652087 719326534 /nfs/dbraw/zinc/32/65/34/719326534.db2.gz BGGDCQFVHFKGFV-FUCAVZNHSA-N 1 1 426.605 3.529 20 0 IHADMO C[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164667493 719440924 /nfs/dbraw/zinc/44/09/24/719440924.db2.gz HCTIQJBVLWJNFJ-VQTJNVASSA-N 1 1 429.549 3.940 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)CC2 ZINC001164683428 719711363 /nfs/dbraw/zinc/71/13/63/719711363.db2.gz KFTGKZATLXXAGW-UHFFFAOYSA-N 1 1 426.175 3.876 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)CC2 ZINC001164690033 719746791 /nfs/dbraw/zinc/74/67/91/719746791.db2.gz QFRDHUDHODQRDX-UHFFFAOYSA-N 1 1 441.579 3.991 20 0 IHADMO COC(=O)c1ccc2cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ncc2c1 ZINC001164696170 719896752 /nfs/dbraw/zinc/89/67/52/719896752.db2.gz AHLUDXSYZVIXOW-UHFFFAOYSA-N 1 1 437.565 3.954 20 0 IHADMO c1csc(C[N@H+]2CCOC3(CCN(c4cncc(OCC5CCCC5)n4)CC3)C2)c1 ZINC001164707509 719906384 /nfs/dbraw/zinc/90/63/84/719906384.db2.gz SAXHSIFLNPYJML-UHFFFAOYSA-N 1 1 428.602 3.979 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]ccc31)CC2 ZINC001164712120 720094609 /nfs/dbraw/zinc/09/46/09/720094609.db2.gz VPDLXOBYSHKGKJ-QGZVFWFLSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(SC)n1)CC2 ZINC001164712092 720095063 /nfs/dbraw/zinc/09/50/63/720095063.db2.gz VIUVXRGSDMBHGJ-KRWDZBQOSA-N 1 1 434.009 3.754 20 0 IHADMO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001164805903 720096521 /nfs/dbraw/zinc/09/65/21/720096521.db2.gz ANFZVNOFJAFPLE-LSYYVWMOSA-N 1 1 446.639 3.825 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001164805903 720096524 /nfs/dbraw/zinc/09/65/24/720096524.db2.gz ANFZVNOFJAFPLE-LSYYVWMOSA-N 1 1 446.639 3.825 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(Cl)nn1)CC2 ZINC001164709643 720104932 /nfs/dbraw/zinc/10/49/32/720104932.db2.gz BTESTNSAHADXQI-QGZVFWFLSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164718015 720109163 /nfs/dbraw/zinc/10/91/63/720109163.db2.gz QCEPDHCALIIARX-SFHVURJKSA-N 1 1 440.979 3.822 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cnccc31)CC2 ZINC001164719467 720109336 /nfs/dbraw/zinc/10/93/36/720109336.db2.gz XKBMEKSUKZBURM-SFHVURJKSA-N 1 1 438.963 3.581 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3Cc1ccccc1)C2 ZINC001164807329 720125670 /nfs/dbraw/zinc/12/56/70/720125670.db2.gz BXRUXGFHBLCELC-ATIYNZHBSA-N 1 1 431.584 3.664 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)C2 ZINC001164815529 720136986 /nfs/dbraw/zinc/13/69/86/720136986.db2.gz WIXSAJWNPSPPLF-AOMKIAJQSA-N 1 1 447.942 3.641 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccc(OC)cc3nc1C)CC2 ZINC001164711232 720146657 /nfs/dbraw/zinc/14/66/57/720146657.db2.gz GFNIAUCTVQAHBC-OAQYLSRUSA-N 1 1 447.583 3.849 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(SC(C)C)nn1)CC2 ZINC001164711147 720148910 /nfs/dbraw/zinc/14/89/10/720148910.db2.gz FRDOPVXVNDXVHB-FQEVSTJZSA-N 1 1 427.618 3.880 20 0 IHADMO CCc1nc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c(Cl)nc1C ZINC001164715656 720156549 /nfs/dbraw/zinc/15/65/49/720156549.db2.gz VUXFBNTUJQCIRS-IBGZPJMESA-N 1 1 429.996 3.903 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)C2 ZINC001164816263 720157323 /nfs/dbraw/zinc/15/73/23/720157323.db2.gz KNISMUBISJGAEE-QMHKHESXSA-N 1 1 425.964 3.949 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001164815599 720172908 /nfs/dbraw/zinc/17/29/08/720172908.db2.gz ILNQCPITAXCVRP-CYFREDJKSA-N 1 1 447.023 3.592 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164816373 720190236 /nfs/dbraw/zinc/19/02/36/720190236.db2.gz LDGPTVXSGGBWLV-YADARESESA-N 1 1 435.597 3.938 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CCC2 ZINC001164813517 720233963 /nfs/dbraw/zinc/23/39/63/720233963.db2.gz PCVNNLUIZXDMNC-UHFFFAOYSA-N 1 1 440.636 3.879 20 0 IHADMO CC(C)c1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(C(C)(C)C)n1 ZINC001164812336 720239659 /nfs/dbraw/zinc/23/96/59/720239659.db2.gz FWOAHQLUMDRGQH-UHFFFAOYSA-N 1 1 426.609 3.705 20 0 IHADMO O=C(C[C@@H]1OC[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@@H]12)N1CCCCC1 ZINC001164834128 720500482 /nfs/dbraw/zinc/50/04/82/720500482.db2.gz RWRKYKCQFODCMI-HBMCJLEFSA-N 1 1 447.023 3.575 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC[C@@H]21 ZINC001164833977 720510984 /nfs/dbraw/zinc/51/09/84/720510984.db2.gz DZMBPEZTBLSFNP-ILXRZTDVSA-N 1 1 445.345 3.903 20 0 IHADMO CSc1nc2sccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835357 720514379 /nfs/dbraw/zinc/51/43/79/720514379.db2.gz KFHADAMNVODOER-LZLYRXPVSA-N 1 1 428.631 3.988 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(F)c(Cl)n3)CC[C@@H]21 ZINC001164836081 720515695 /nfs/dbraw/zinc/51/56/95/720515695.db2.gz MFKQDEKTFNBXRQ-VYDXJSESSA-N 1 1 427.902 3.993 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ccc3CN3CCCC3)CC[C@@H]21 ZINC001164842939 720557648 /nfs/dbraw/zinc/55/76/48/720557648.db2.gz ZBQGBADJDQKXPI-FKBYEOEOSA-N 1 1 443.039 3.905 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(OCc4ccccc4)cnn3)CC[C@@H]21 ZINC001164840159 720559616 /nfs/dbraw/zinc/55/96/16/720559616.db2.gz RWWAVFJTQVCPGN-GPXNEJASSA-N 1 1 432.572 3.630 20 0 IHADMO COc1cccc(Oc2cncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)n2)c1 ZINC001164836367 720575743 /nfs/dbraw/zinc/57/57/43/720575743.db2.gz JRQLDPKIRBSADP-TXTKFYIRSA-N 1 1 448.571 3.852 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(-c4ccc(N(C)C)cc4)n3)CC[C@@H]21 ZINC001164843563 720582392 /nfs/dbraw/zinc/58/23/92/720582392.db2.gz YEFXMVFHAWLWDJ-VTZPFEBOSA-N 1 1 445.615 3.784 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)CC[C@@H]21 ZINC001164841648 720616600 /nfs/dbraw/zinc/61/66/00/720616600.db2.gz UABQQCQSTWDUOP-ZOBUZTSGSA-N 1 1 449.937 3.731 20 0 IHADMO Cc1nc(-c2ccccn2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164837713 720625444 /nfs/dbraw/zinc/62/54/44/720625444.db2.gz ILNMUWMFEUWWIM-QNWVGRARSA-N 1 1 431.588 3.730 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4[nH]c5cc(F)ccc5c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843750 720648862 /nfs/dbraw/zinc/64/88/62/720648862.db2.gz XOSMBKCGBVCUSU-DJPFJPOOSA-N 1 1 433.535 3.825 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4[nH]c5cc(F)ccc5c43)CC[C@@H]21 ZINC001164843751 720650508 /nfs/dbraw/zinc/65/05/08/720650508.db2.gz XOSMBKCGBVCUSU-MDKPJZGXSA-N 1 1 433.535 3.825 20 0 IHADMO c1csc(-c2csc3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)c1 ZINC001164741565 720658240 /nfs/dbraw/zinc/65/82/40/720658240.db2.gz UGPVODYCMZFCRN-CABCVRRESA-N 1 1 436.566 3.552 20 0 IHADMO COC(=O)c1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1Cl ZINC001164837056 720664689 /nfs/dbraw/zinc/66/46/89/720664689.db2.gz AYYRGPJRSTUUJU-SFHVURJKSA-N 1 1 429.948 3.782 20 0 IHADMO COc1cc2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164841772 720672272 /nfs/dbraw/zinc/67/22/72/720672272.db2.gz PZHPZYLDQRQOPX-FQEVSTJZSA-N 1 1 448.567 3.907 20 0 IHADMO COC(=O)c1c[nH]c2nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ccc12 ZINC001164844801 720678651 /nfs/dbraw/zinc/67/86/51/720678651.db2.gz UVTIXXMECPQWEC-LJQANCHMSA-N 1 1 434.540 3.609 20 0 IHADMO COC(=O)c1c[nH]c2nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ccc12 ZINC001164844798 720679323 /nfs/dbraw/zinc/67/93/23/720679323.db2.gz UVTIXXMECPQWEC-IBGZPJMESA-N 1 1 434.540 3.609 20 0 IHADMO COC(=O)c1cc(F)c(C)nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843388 720690835 /nfs/dbraw/zinc/69/08/35/720690835.db2.gz PCUUHMYPLXCJKG-IBGZPJMESA-N 1 1 427.520 3.576 20 0 IHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164840479 720697715 /nfs/dbraw/zinc/69/77/15/720697715.db2.gz FGELCZOYPGQRGZ-FQEVSTJZSA-N 1 1 438.572 3.692 20 0 IHADMO CCOCc1cnc(Cl)nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837680 720707610 /nfs/dbraw/zinc/70/76/10/720707610.db2.gz GLXUVJCRGOMAMG-HXUWFJFHSA-N 1 1 430.980 3.926 20 0 IHADMO CCOC(=O)c1ncnc(Cl)c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837603 720707871 /nfs/dbraw/zinc/70/78/71/720707871.db2.gz FCSAJPMZYZXDKR-GOSISDBHSA-N 1 1 444.963 3.567 20 0 IHADMO CCOC(=O)c1cnc2cc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)[nH]cc1-2 ZINC001164838840 720708830 /nfs/dbraw/zinc/70/88/30/720708830.db2.gz JHRMSXODFHEDTN-HXUWFJFHSA-N 1 1 448.567 4.000 20 0 IHADMO CCOC(=O)c1cnc2cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH]cc1-2 ZINC001164838840 720708832 /nfs/dbraw/zinc/70/88/32/720708832.db2.gz JHRMSXODFHEDTN-HXUWFJFHSA-N 1 1 448.567 4.000 20 0 IHADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739310 720719225 /nfs/dbraw/zinc/71/92/25/720719225.db2.gz MYYDDOIIHUKNRY-HZPDHXFCSA-N 1 1 431.874 3.565 20 0 IHADMO Cc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164745794 720726710 /nfs/dbraw/zinc/72/67/10/720726710.db2.gz VTJZSGCWVLIBEY-LEWJYISDSA-N 1 1 438.535 3.737 20 0 IHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164838064 720729773 /nfs/dbraw/zinc/72/97/73/720729773.db2.gz QRVFMUFGVKQRLV-IBGZPJMESA-N 1 1 437.918 3.778 20 0 IHADMO Fc1ccc(-c2nnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164737226 720764304 /nfs/dbraw/zinc/76/43/04/720764304.db2.gz BCULWHMLMMCIKL-PMACEKPBSA-N 1 1 442.498 3.568 20 0 IHADMO Fc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164740718 720819750 /nfs/dbraw/zinc/81/97/50/720819750.db2.gz LCNXLMNWUOUAHZ-HFSMHLIXSA-N 1 1 440.954 3.998 20 0 IHADMO Clc1cccc(-c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)n1 ZINC001164738428 720829405 /nfs/dbraw/zinc/82/94/05/720829405.db2.gz FRIZKILCJJNCPZ-NNMXDRDESA-N 1 1 449.990 3.768 20 0 IHADMO Cc1ccc(F)c2cc(C)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc12 ZINC001164744650 720836815 /nfs/dbraw/zinc/83/68/15/720836815.db2.gz LCMQOBBBORYDNF-MIZPHKNDSA-N 1 1 434.563 3.962 20 0 IHADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc(OCc5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741629 720840601 /nfs/dbraw/zinc/84/06/01/720840601.db2.gz FLRKZCVGHOAPEI-TZRRMPRUSA-N 1 1 444.583 3.632 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4scc(-c5cccs5)c43)CC[C@H]2C1 ZINC001164852556 720844204 /nfs/dbraw/zinc/84/42/04/720844204.db2.gz KUYSQAHUSXKOCD-RDJZCZTQSA-N 1 1 430.599 3.593 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@H]2C1 ZINC001164854241 720850357 /nfs/dbraw/zinc/85/03/57/720850357.db2.gz QJADMZLZKREOFG-QFBILLFUSA-N 1 1 425.907 3.607 20 0 IHADMO c1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2c1 ZINC001164751660 720868415 /nfs/dbraw/zinc/86/84/15/720868415.db2.gz LUYRBEJWLPUDIX-BVAGGSTKSA-N 1 1 429.568 3.780 20 0 IHADMO CSc1nc(C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750449 720868827 /nfs/dbraw/zinc/86/88/27/720868827.db2.gz JCWNZCJVSBUCHI-QPPBQGQZSA-N 1 1 439.629 3.657 20 0 IHADMO Fc1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164748490 720875843 /nfs/dbraw/zinc/87/58/43/720875843.db2.gz FNYOADVEPVHRBY-RLWLMLJZSA-N 1 1 447.558 3.919 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4Cl)nc(C)c3C)CC[C@@H]2C1 ZINC001164861742 720882818 /nfs/dbraw/zinc/88/28/18/720882818.db2.gz QBOOKKDYGQCBLN-NQIIRXRSSA-N 1 1 430.980 3.587 20 0 IHADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)c1 ZINC001164864439 720888722 /nfs/dbraw/zinc/88/87/22/720888722.db2.gz VTBMFPHMWXKPDZ-NQIIRXRSSA-N 1 1 446.979 3.658 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC[C@@H]2C1 ZINC001164855740 720892344 /nfs/dbraw/zinc/89/23/44/720892344.db2.gz CAMIQNXIOUIIIG-BEFAXECRSA-N 1 1 441.906 3.713 20 0 IHADMO Fc1cnc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164756292 720904168 /nfs/dbraw/zinc/90/41/68/720904168.db2.gz PIYLMVJEJWGGSA-LVXARBLLSA-N 1 1 447.558 3.919 20 0 IHADMO CC(C)(C)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164755180 720913030 /nfs/dbraw/zinc/91/30/30/720913030.db2.gz ZHVHHUQFWSBANJ-NVQXNPDNSA-N 1 1 435.616 3.924 20 0 IHADMO CCSc1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748478 720917801 /nfs/dbraw/zinc/91/78/01/720917801.db2.gz GFCODBUKVGALEK-ZJSXRUAMSA-N 1 1 439.629 3.739 20 0 IHADMO COC(=O)c1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c2ccccc2c1OC ZINC001164860286 721011343 /nfs/dbraw/zinc/01/13/43/721011343.db2.gz KRLSXEZQPWNKTF-INIZCTEOSA-N 1 1 437.544 3.648 20 0 IHADMO COC(=O)c1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c2ccccc2c1OC ZINC001164860289 721012787 /nfs/dbraw/zinc/01/27/87/721012787.db2.gz KRLSXEZQPWNKTF-MRXNPFEDSA-N 1 1 437.544 3.648 20 0 IHADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869518 721049193 /nfs/dbraw/zinc/04/91/93/721049193.db2.gz UCBPQLLVJYURTB-JKSUJKDBSA-N 1 1 429.298 3.808 20 0 IHADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865841 721054901 /nfs/dbraw/zinc/05/49/01/721054901.db2.gz AKOMCGFAVFEINF-LSDHHAIUSA-N 1 1 429.298 3.808 20 0 IHADMO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866958 721080677 /nfs/dbraw/zinc/08/06/77/721080677.db2.gz VPFIKOMTCDZCJX-MSOLQXFVSA-N 1 1 445.901 3.703 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C[C@@H]3C2)cn1 ZINC001164769288 721090011 /nfs/dbraw/zinc/09/00/11/721090011.db2.gz OKPBVEZYAYATIN-HOTGVXAUSA-N 1 1 432.906 3.520 20 0 IHADMO c1ccc(CSc2cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164871554 721168135 /nfs/dbraw/zinc/16/81/35/721168135.db2.gz FGRSZTUIXAKXNV-FGZHOGPDSA-N 1 1 433.581 3.644 20 0 IHADMO Clc1ccc2c(Cl)nnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164880980 721169934 /nfs/dbraw/zinc/16/99/34/721169934.db2.gz YMOWYVHLGAAHIB-IAGOWNOFSA-N 1 1 430.339 3.811 20 0 IHADMO Fc1ccc2nc(C(F)F)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164875447 721174575 /nfs/dbraw/zinc/17/45/75/721174575.db2.gz LPXPISYQCWBJSQ-DLBZAZTESA-N 1 1 429.446 3.581 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164767759 721206153 /nfs/dbraw/zinc/20/61/53/721206153.db2.gz KMMKRKMKZVYRHE-HOTGVXAUSA-N 1 1 448.905 3.627 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)nc(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1 ZINC001164765844 721214417 /nfs/dbraw/zinc/21/44/17/721214417.db2.gz IMFTZDKDWPMPNW-ZWKOTPCHSA-N 1 1 426.927 3.628 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)C[C@H]3C2)cn1 ZINC001164767009 721216413 /nfs/dbraw/zinc/21/64/13/721216413.db2.gz JWBRAVIFULROQV-ZWKOTPCHSA-N 1 1 426.927 3.628 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)Oc4ccc(Cl)nc4Cl)C[C@H]3C2)cn1 ZINC001164766194 721236538 /nfs/dbraw/zinc/23/65/38/721236538.db2.gz SUYMZBPSABQKPH-UONOGXRCSA-N 1 1 432.302 3.505 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccccc4F)C[C@@H]3C2)cn1 ZINC001164760328 721238913 /nfs/dbraw/zinc/23/89/13/721238913.db2.gz DKRSURYFOFWKCG-IRXDYDNUSA-N 1 1 442.926 3.753 20 0 IHADMO C[N@@H+](Cc1ccc(N2CC[C@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1)C1CC1 ZINC001164872032 721259196 /nfs/dbraw/zinc/25/91/96/721259196.db2.gz CPMSCUXPXPVGGL-OZXSUGGESA-N 1 1 434.584 3.624 20 0 IHADMO CCN1CC[C@@]2(CN(c3nc(C[NH+](CC)CC)nc4sc(C)c(C)c43)C[C@@H]2C)C1=O ZINC001164778703 721320517 /nfs/dbraw/zinc/32/05/17/721320517.db2.gz QOUGLYRAZXKVNE-WNSKOXEYSA-N 1 1 429.634 3.845 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4ccsc43)C2)C1 ZINC001164776300 721331883 /nfs/dbraw/zinc/33/18/83/721331883.db2.gz DOQJCYREWWHXLS-JOCHJYFZSA-N 1 1 427.574 3.724 20 0 IHADMO CCOc1ccc(Cl)nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779073 721354591 /nfs/dbraw/zinc/35/45/91/721354591.db2.gz QEFMFKRKFYDPPF-QFIPXVFZSA-N 1 1 434.968 3.858 20 0 IHADMO CCOc1ccc(Cl)nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779073 721354594 /nfs/dbraw/zinc/35/45/94/721354594.db2.gz QEFMFKRKFYDPPF-QFIPXVFZSA-N 1 1 434.968 3.858 20 0 IHADMO Cc1csc2cnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc12 ZINC001164779924 721362720 /nfs/dbraw/zinc/36/27/20/721362720.db2.gz ARBIRCXZWNEGME-JOCHJYFZSA-N 1 1 427.574 3.724 20 0 IHADMO Cc1csc2cnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc12 ZINC001164779924 721362723 /nfs/dbraw/zinc/36/27/23/721362723.db2.gz ARBIRCXZWNEGME-JOCHJYFZSA-N 1 1 427.574 3.724 20 0 IHADMO COCCN1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)Cc2cccnc21 ZINC001164884780 721368756 /nfs/dbraw/zinc/36/87/56/721368756.db2.gz FJVFYKMTJCRFLK-UHFFFAOYSA-N 1 1 429.568 3.508 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(SC(C)C)nn3)C2)C1 ZINC001164782968 721369605 /nfs/dbraw/zinc/36/96/05/721369605.db2.gz OIHLQALORNCUSJ-QFIPXVFZSA-N 1 1 431.606 3.701 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(SC(C)C)nn3)C2)C1 ZINC001164782968 721369608 /nfs/dbraw/zinc/36/96/08/721369608.db2.gz OIHLQALORNCUSJ-QFIPXVFZSA-N 1 1 431.606 3.701 20 0 IHADMO CCc1nc2sccc2c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164787003 721371922 /nfs/dbraw/zinc/37/19/22/721371922.db2.gz WUCSUBYIIHDXGI-HSZRJFAPSA-N 1 1 441.601 3.978 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164886353 721384811 /nfs/dbraw/zinc/38/48/11/721384811.db2.gz FJLUIRCFPWPZSS-DNVCBOLYSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cc(C(C)(C)C)sc54)C3)O2)CC1 ZINC001164887257 721396267 /nfs/dbraw/zinc/39/62/67/721396267.db2.gz HISFKKZBRLEBFE-UUOWRZLLSA-N 1 1 443.661 3.754 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nnc4-c4ccccc4)C3)O2)CC1 ZINC001164891141 721411712 /nfs/dbraw/zinc/41/17/12/721411712.db2.gz VHPOEFZOUCXSFM-RDPSFJRHSA-N 1 1 442.007 3.562 20 0 IHADMO COc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c2cc(Cl)ccc12 ZINC001164887697 721412070 /nfs/dbraw/zinc/41/20/70/721412070.db2.gz MJTPGRRSEDWHNL-YADARESESA-N 1 1 445.007 3.662 20 0 IHADMO Fc1ccc(Cn2ccc3c2ncnc3N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cc1 ZINC001164783252 721414242 /nfs/dbraw/zinc/41/42/42/721414242.db2.gz HPVKUKKCKQNHMM-ROUUACIJSA-N 1 1 434.544 3.643 20 0 IHADMO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164883666 721418872 /nfs/dbraw/zinc/41/88/72/721418872.db2.gz BSINWECGXPBPIL-CYFREDJKSA-N 1 1 429.008 3.962 20 0 IHADMO Cc1cc2nc(Cl)c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2cc1C ZINC001164890468 721421908 /nfs/dbraw/zinc/42/19/08/721421908.db2.gz SSELRNJUYJEBJO-DVECYGJZSA-N 1 1 444.023 3.665 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3sccc31)CC2 ZINC001164783872 721448517 /nfs/dbraw/zinc/44/85/17/721448517.db2.gz CWKXDMQASFZZKR-IBGZPJMESA-N 1 1 430.618 3.734 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(F)ccc31)CC2 ZINC001164783991 721452654 /nfs/dbraw/zinc/45/26/54/721452654.db2.gz DDHAGKBCWLVCFK-FQEVSTJZSA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3c1CCC3)CC2 ZINC001164789423 721455061 /nfs/dbraw/zinc/45/50/61/721455061.db2.gz VWTKYPXPIVIKPP-IBGZPJMESA-N 1 1 434.024 3.958 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3ccc(F)cc3n1)CC2 ZINC001164783513 721457876 /nfs/dbraw/zinc/45/78/76/721457876.db2.gz DHCGURATNZQHTD-FQEVSTJZSA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cnc1Cl)CC2 ZINC001164786892 721458495 /nfs/dbraw/zinc/45/84/95/721458495.db2.gz QGPCOSJELDPAQF-MRXNPFEDSA-N 1 1 429.392 3.517 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c(F)cccc31)CC2 ZINC001164790040 721458521 /nfs/dbraw/zinc/45/85/21/721458521.db2.gz ZESIRWSXGFAPBS-IBGZPJMESA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccco3)n1)CC2 ZINC001164786641 721468691 /nfs/dbraw/zinc/46/86/91/721468691.db2.gz BVMPUOKAFQBHBS-OAQYLSRUSA-N 1 1 440.588 3.779 20 0 IHADMO CCOC[C@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)Cc2cnn(C)c21 ZINC001164792180 721477552 /nfs/dbraw/zinc/47/75/52/721477552.db2.gz MKVUSYYQXWYTGD-GOSISDBHSA-N 1 1 440.617 3.778 20 0 IHADMO CCOC[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)Cc2cnn(C)c21 ZINC001164792181 721477706 /nfs/dbraw/zinc/47/77/06/721477706.db2.gz MKVUSYYQXWYTGD-SFHVURJKSA-N 1 1 440.617 3.778 20 0 IHADMO CCOC(=O)c1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1OCC ZINC001164791335 721494610 /nfs/dbraw/zinc/49/46/10/721494610.db2.gz APZBWTLRMRBMMM-UHFFFAOYSA-N 1 1 438.572 3.933 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)[C@@H]2CCCO[C@H]12 ZINC001164811210 721550309 /nfs/dbraw/zinc/55/03/09/721550309.db2.gz ZNIXZGLNVBMCSB-KURKYZTESA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)[C@@H]2CCCO[C@H]12 ZINC001164811210 721550312 /nfs/dbraw/zinc/55/03/12/721550312.db2.gz ZNIXZGLNVBMCSB-KURKYZTESA-N 1 1 426.870 3.682 20 0 IHADMO Cc1nc(C)c(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)s1 ZINC001164903600 721561622 /nfs/dbraw/zinc/56/16/22/721561622.db2.gz CWSXVIKLUDOFCG-PKOBYXMFSA-N 1 1 425.533 3.698 20 0 IHADMO CCOC(=O)c1cc2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164805829 721566342 /nfs/dbraw/zinc/56/63/42/721566342.db2.gz OZGXFYJQFVIERR-TZRRMPRUSA-N 1 1 446.551 3.675 20 0 IHADMO CCOC(=O)c1cc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164805829 721566347 /nfs/dbraw/zinc/56/63/47/721566347.db2.gz OZGXFYJQFVIERR-TZRRMPRUSA-N 1 1 446.551 3.675 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(C(C)(C)C)no3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164799714 721572076 /nfs/dbraw/zinc/57/20/76/721572076.db2.gz DGHVLGYAKQYWCG-VWPQPMDRSA-N 1 1 448.571 3.692 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164803932 721575812 /nfs/dbraw/zinc/57/58/12/721575812.db2.gz JURCULKGLCJKMK-OYRHQHFDSA-N 1 1 430.552 3.924 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164803932 721575814 /nfs/dbraw/zinc/57/58/14/721575814.db2.gz JURCULKGLCJKMK-OYRHQHFDSA-N 1 1 430.552 3.924 20 0 IHADMO Cc1cc(N2CCCC2)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903907 721582616 /nfs/dbraw/zinc/58/26/16/721582616.db2.gz OZOGZJGAOHEMBS-JOCHJYFZSA-N 1 1 428.531 3.518 20 0 IHADMO Cc1cc(N2CCCC2)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903907 721582620 /nfs/dbraw/zinc/58/26/20/721582620.db2.gz OZOGZJGAOHEMBS-JOCHJYFZSA-N 1 1 428.531 3.518 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3c(F)cccc3F)nn2)[C@H]2CCCO[C@H]12 ZINC001164810133 721583847 /nfs/dbraw/zinc/58/38/47/721583847.db2.gz UNQNTWKXIPXUHQ-IMSXRSKXSA-N 1 1 437.494 3.685 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3c(F)cccc3F)nn2)[C@H]2CCCO[C@H]12 ZINC001164810133 721583851 /nfs/dbraw/zinc/58/38/51/721583851.db2.gz UNQNTWKXIPXUHQ-IMSXRSKXSA-N 1 1 437.494 3.685 20 0 IHADMO CCN(c1ccccc1)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncn1 ZINC001164807661 721585874 /nfs/dbraw/zinc/58/58/74/721585874.db2.gz PDPJUOCSVZTIGB-FXSPECFOSA-N 1 1 444.583 3.898 20 0 IHADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164808134 721588460 /nfs/dbraw/zinc/58/84/60/721588460.db2.gz PZEHUYLEXHNNFH-QJXQVQFTSA-N 1 1 435.616 3.892 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164808134 721588462 /nfs/dbraw/zinc/58/84/62/721588462.db2.gz PZEHUYLEXHNNFH-QJXQVQFTSA-N 1 1 435.616 3.892 20 0 IHADMO COc1ccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908368 721693146 /nfs/dbraw/zinc/69/31/46/721693146.db2.gz YOAUPBJWSLCXCL-QFIPXVFZSA-N 1 1 425.483 3.771 20 0 IHADMO COC(=O)c1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905593 721702888 /nfs/dbraw/zinc/70/28/88/721702888.db2.gz KAVXOSIIXGEQHD-FQEVSTJZSA-N 1 1 436.890 3.654 20 0 IHADMO F[C@H](Oc1cccc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906848 721703697 /nfs/dbraw/zinc/70/36/97/721703697.db2.gz ORVSRYYLRSZQFV-OALUTQOASA-N 1 1 426.870 3.995 20 0 IHADMO FC1(F)CCN(c2ncnc3cc(Cl)cnc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908253 721711769 /nfs/dbraw/zinc/71/17/69/721711769.db2.gz WTCINEUTGDPGDJ-FQEVSTJZSA-N 1 1 430.890 3.811 20 0 IHADMO CSc1ncc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907862 721721271 /nfs/dbraw/zinc/72/12/71/721721271.db2.gz UWFDMSGOJZKNCS-GOSISDBHSA-N 1 1 425.936 3.985 20 0 IHADMO CC(C)OC(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912594 721734370 /nfs/dbraw/zinc/73/43/70/721734370.db2.gz OCYZNHQOWCDTEQ-QFIPXVFZSA-N 1 1 430.499 3.780 20 0 IHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc3ccc(Cl)nc3c2)CC1 ZINC001165011623 721736083 /nfs/dbraw/zinc/73/60/83/721736083.db2.gz SWVGFICQXKXBSA-UHFFFAOYSA-N 1 1 436.934 3.956 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc(-c3cccc(F)c3)n1)C2 ZINC001164912223 721762710 /nfs/dbraw/zinc/76/27/10/721762710.db2.gz VSNHESKXUXSOTN-UHFFFAOYSA-N 1 1 430.487 3.860 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc(-c3cccc(F)c3)n1)C2 ZINC001164912223 721762714 /nfs/dbraw/zinc/76/27/14/721762714.db2.gz VSNHESKXUXSOTN-UHFFFAOYSA-N 1 1 430.487 3.860 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](OCC4CC4)[C@H]4COC[C@@H]43)c2c1C ZINC001165015366 721763620 /nfs/dbraw/zinc/76/36/20/721763620.db2.gz OXEKDKPTWVPIMF-FHWLQOOXSA-N 1 1 428.602 3.534 20 0 IHADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914882 721790320 /nfs/dbraw/zinc/79/03/20/721790320.db2.gz GXPOYWCLOMVPRC-DEOSSOPVSA-N 1 1 438.959 3.699 20 0 IHADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914882 721790322 /nfs/dbraw/zinc/79/03/22/721790322.db2.gz GXPOYWCLOMVPRC-DEOSSOPVSA-N 1 1 438.959 3.699 20 0 IHADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914883 721790623 /nfs/dbraw/zinc/79/06/23/721790623.db2.gz GXPOYWCLOMVPRC-XMMPIXPASA-N 1 1 438.959 3.699 20 0 IHADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914883 721790624 /nfs/dbraw/zinc/79/06/24/721790624.db2.gz GXPOYWCLOMVPRC-XMMPIXPASA-N 1 1 438.959 3.699 20 0 IHADMO COC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165026125 721803789 /nfs/dbraw/zinc/80/37/89/721803789.db2.gz PYGJACPMSPRAFI-HARLFGEKSA-N 1 1 431.540 3.548 20 0 IHADMO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2c1 ZINC001165027251 721804227 /nfs/dbraw/zinc/80/42/27/721804227.db2.gz UXVCZMFEXATELX-ZEYPLWLESA-N 1 1 431.540 3.548 20 0 IHADMO COc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165027166 721805154 /nfs/dbraw/zinc/80/51/54/721805154.db2.gz TZYWMHONVANZDV-UCNVEGJOSA-N 1 1 433.556 3.779 20 0 IHADMO CSc1nc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2s1 ZINC001165024869 721819107 /nfs/dbraw/zinc/81/91/07/721819107.db2.gz KRWMQHUQNNNATB-XIRDDKMYSA-N 1 1 426.615 3.940 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@@H]21 ZINC001165019099 721824252 /nfs/dbraw/zinc/82/42/52/721824252.db2.gz AVYRMKNCIKWDPC-VNQPRFMTSA-N 1 1 447.921 3.635 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)COc3cncc(Cl)n3)C[C@H]21 ZINC001165023964 721825198 /nfs/dbraw/zinc/82/51/98/721825198.db2.gz IXCYDPJRFMZCCK-KBAYOESNSA-N 1 1 437.922 3.729 20 0 IHADMO COC(=O)c1cc(Cl)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1C ZINC001165020693 721830051 /nfs/dbraw/zinc/83/00/51/721830051.db2.gz DFGDGTHQGOHEAL-NBHGPNQESA-N 1 1 428.964 3.962 20 0 IHADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020681 721831367 /nfs/dbraw/zinc/83/13/67/721831367.db2.gz DEGLGTTZURCETO-JFRXWTBNSA-N 1 1 443.979 3.538 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cnc(Cl)cn2)CC1 ZINC001165021561 721838659 /nfs/dbraw/zinc/83/86/59/721838659.db2.gz OJGFXWHBXVIBCO-UHFFFAOYSA-N 1 1 426.895 3.793 20 0 IHADMO c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2nccc(-c3cnc(N4CCCCC4)nc3)n2)c1 ZINC001164936886 721913118 /nfs/dbraw/zinc/91/31/18/721913118.db2.gz AQJYZUVRJSMMCI-BGYRXZFFSA-N 1 1 447.612 3.839 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc[nH]c5nc(=S)sc4-5)CC3)C2)cc1 ZINC001164940218 721929636 /nfs/dbraw/zinc/92/96/36/721929636.db2.gz SOFKPRKJXIHYLG-UHFFFAOYSA-N 1 1 427.599 3.555 20 0 IHADMO COC[C@]12COC[C@@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164954966 721995113 /nfs/dbraw/zinc/99/51/13/721995113.db2.gz YJOVVEYQKQTUNP-WOGXIUBCSA-N 1 1 442.629 3.511 20 0 IHADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056059 722020268 /nfs/dbraw/zinc/02/02/68/722020268.db2.gz VCQQAZWAWOJDOU-UHFFFAOYSA-N 1 1 425.920 3.691 20 0 IHADMO Clc1nc2c(Cl)ncnc2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164963915 722023480 /nfs/dbraw/zinc/02/34/80/722023480.db2.gz USCLMXGSOSYSLR-UHFFFAOYSA-N 1 1 430.343 3.614 20 0 IHADMO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164958204 722028857 /nfs/dbraw/zinc/02/88/57/722028857.db2.gz ODRRCMCZMDJDBA-GGPKGHCWSA-N 1 1 432.927 3.680 20 0 IHADMO Clc1ncnc2scc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c21 ZINC001164964044 722054721 /nfs/dbraw/zinc/05/47/21/722054721.db2.gz RCOSVQXREGSVHW-UHFFFAOYSA-N 1 1 429.977 3.859 20 0 IHADMO COc1cccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)c1 ZINC001164961668 722059774 /nfs/dbraw/zinc/05/97/74/722059774.db2.gz NTORMCQXPCEDTI-UHFFFAOYSA-N 1 1 445.567 3.666 20 0 IHADMO Fc1cccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)c1 ZINC001164959984 722060695 /nfs/dbraw/zinc/06/06/95/722060695.db2.gz BNXHMJNNIQRIAL-UHFFFAOYSA-N 1 1 433.531 3.797 20 0 IHADMO CC(C)c1noc(-c2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2)n1 ZINC001164962210 722060832 /nfs/dbraw/zinc/06/08/32/722060832.db2.gz PZXILDRDGCDHDC-UHFFFAOYSA-N 1 1 448.571 3.769 20 0 IHADMO FC(F)(Oc1ccnc(Cl)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966441 722061903 /nfs/dbraw/zinc/06/19/03/722061903.db2.gz SYMTVCGNWWDSHW-UHFFFAOYSA-N 1 1 438.906 3.674 20 0 IHADMO Cc1cncc(COCc2cnc3n2CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)[C@@H]3C)c1 ZINC001164966025 722063386 /nfs/dbraw/zinc/06/33/86/722063386.db2.gz NMZVOBOJSLGKOH-LJQANCHMSA-N 1 1 432.572 3.874 20 0 IHADMO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164963647 722064411 /nfs/dbraw/zinc/06/44/11/722064411.db2.gz BVMWIXMQTGKHOE-PKTZIBPZSA-N 1 1 445.592 3.590 20 0 IHADMO Fc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980718 722102137 /nfs/dbraw/zinc/10/21/37/722102137.db2.gz JYXBNKNZRYQTQY-NVXWUHKLSA-N 1 1 426.870 3.541 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164971875 722108979 /nfs/dbraw/zinc/10/89/79/722108979.db2.gz CYMONOMHBXRMTI-FUHWJXTLSA-N 1 1 429.977 3.775 20 0 IHADMO c1[nH]c2ccccc2c1-c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981116 722114684 /nfs/dbraw/zinc/11/46/84/722114684.db2.gz SSNGWSQYNOMYHF-CJFMBICVSA-N 1 1 440.551 3.747 20 0 IHADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977972 722137296 /nfs/dbraw/zinc/13/72/96/722137296.db2.gz IYFICSFXAGTSBC-UYAOXDASSA-N 1 1 440.979 3.788 20 0 IHADMO Clc1cccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164974357 722141214 /nfs/dbraw/zinc/14/12/14/722141214.db2.gz DJHCNRUHVZYLFU-REWPJTCUSA-N 1 1 435.959 3.919 20 0 IHADMO Clc1cccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164974350 722141420 /nfs/dbraw/zinc/14/14/20/722141420.db2.gz DJHCNRUHVZYLFU-NFBKMPQASA-N 1 1 435.959 3.919 20 0 IHADMO Fc1cccc(F)c1-c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973099 722147218 /nfs/dbraw/zinc/14/72/18/722147218.db2.gz AYAHOKARESBWEU-AVRDEDQJSA-N 1 1 437.494 3.544 20 0 IHADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@]4(C[C@@H](OCC5CCCC5)CO4)C3)c2)CC1 ZINC001164973750 722165989 /nfs/dbraw/zinc/16/59/89/722165989.db2.gz CRQSXFMNFQADDS-NOZRDPDXSA-N 1 1 429.605 3.889 20 0 IHADMO Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)cc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164994887 722196789 /nfs/dbraw/zinc/19/67/89/722196789.db2.gz QPLJSIRTBARBKZ-HSZRJFAPSA-N 1 1 429.971 3.981 20 0 IHADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)cc-2n1 ZINC001164995353 722199118 /nfs/dbraw/zinc/19/91/18/722199118.db2.gz UWPNNZFXAWVMOB-XMMPIXPASA-N 1 1 438.503 3.742 20 0 IHADMO CON(C)C(=O)c1cc(Cl)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164997237 722201125 /nfs/dbraw/zinc/20/11/25/722201125.db2.gz XLCSIHDZPUQYCO-JOCHJYFZSA-N 1 1 432.927 3.752 20 0 IHADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994935 722205268 /nfs/dbraw/zinc/20/52/68/722205268.db2.gz JVDGDJADSZEDMQ-RUZDIDTESA-N 1 1 440.563 3.943 20 0 IHADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994861 722205781 /nfs/dbraw/zinc/20/57/81/722205781.db2.gz IZOIQXORASAEAQ-XMMPIXPASA-N 1 1 437.519 3.529 20 0 IHADMO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1Br)OCO2)C(F)(F)F ZINC000604765690 1126099518 /nfs/dbraw/zinc/09/95/18/1126099518.db2.gz JLBWBCYEKXUXIH-PBHICJAKSA-N 1 1 432.236 3.802 20 0 IHADMO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(CCc2ccccc2)no1 ZINC001198218448 1126154628 /nfs/dbraw/zinc/15/46/28/1126154628.db2.gz HHGLZVKPMFVSQU-OAQYLSRUSA-N 1 1 430.346 3.701 20 0 IHADMO CC(C)CO[C@H](C)c1noc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001620418887 1126240082 /nfs/dbraw/zinc/24/00/82/1126240082.db2.gz HBFIHTXQZHGOJH-VLIAUNLRSA-N 1 1 438.366 3.575 20 0 IHADMO COc1nsc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1Br ZINC001620789854 1126242817 /nfs/dbraw/zinc/24/28/17/1126242817.db2.gz LVVBOFQIDCEDRW-ZWNOBZJWSA-N 1 1 425.270 3.538 20 0 IHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5[C@@H](C3)OCC5(F)F)n2)CCC4)CC1 ZINC001164424401 718928068 /nfs/dbraw/zinc/92/80/68/718928068.db2.gz NHKOUDSCNFCAJP-HZPDHXFCSA-N 1 1 434.556 3.882 20 0 IHADMO Cc1[nH+]cc2n1CCN([C@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)C2 ZINC001164439833 718990584 /nfs/dbraw/zinc/99/05/84/718990584.db2.gz GLCCULPNOLCTFZ-OAQYLSRUSA-N 1 1 447.345 3.942 20 0 IHADMO CCOC(=O)[C@@]12C[C@@H]1CCN2c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164622997 719041543 /nfs/dbraw/zinc/04/15/43/719041543.db2.gz LIPALHADDXVUPM-UPCLLVRISA-N 1 1 440.613 3.944 20 0 IHADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC001164625954 719095091 /nfs/dbraw/zinc/09/50/91/719095091.db2.gz HTCUYUNGPNPJRF-APWZRJJASA-N 1 1 439.947 3.509 20 0 IHADMO CCOC(=O)c1sc2ncnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c2c1C ZINC001164647987 719307040 /nfs/dbraw/zinc/30/70/40/719307040.db2.gz PLXNHKFGTCVVMH-UHFFFAOYSA-N 1 1 442.589 3.578 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164651110 719315477 /nfs/dbraw/zinc/31/54/77/719315477.db2.gz HWRULGIOKANYQW-UHFFFAOYSA-N 1 1 445.011 3.809 20 0 IHADMO C[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164675157 719440945 /nfs/dbraw/zinc/44/09/45/719440945.db2.gz ZHBDJTGACHNTBO-NHCUHLMSSA-N 1 1 449.624 3.863 20 0 IHADMO C[N@H+]1CCO[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164675160 719441385 /nfs/dbraw/zinc/44/13/85/719441385.db2.gz ZHBDJTGACHNTBO-RTWAWAEBSA-N 1 1 449.624 3.863 20 0 IHADMO C[N@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164667491 719441722 /nfs/dbraw/zinc/44/17/22/719441722.db2.gz HCTIQJBVLWJNFJ-PMACEKPBSA-N 1 1 429.549 3.940 20 0 IHADMO CCOc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164684149 719667834 /nfs/dbraw/zinc/66/78/34/719667834.db2.gz SISJOVVWCDYHQU-HXUWFJFHSA-N 1 1 436.600 3.574 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccccc3F)nc3ccc(C)cc31)CC2 ZINC001164686578 719725091 /nfs/dbraw/zinc/72/50/91/719725091.db2.gz PJHLXLQQCXSLGA-UHFFFAOYSA-N 1 1 447.558 3.925 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2 ZINC001164689537 719742555 /nfs/dbraw/zinc/74/25/55/719742555.db2.gz GWYNTBMBVBILMQ-UHFFFAOYSA-N 1 1 449.933 3.523 20 0 IHADMO CC(C)Oc1ncnc2c1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164697109 719790693 /nfs/dbraw/zinc/79/06/93/719790693.db2.gz YSDLMGXRUBZTPN-UHFFFAOYSA-N 1 1 429.568 3.822 20 0 IHADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)c(F)c4c2C(=O)NC4)CC3)cs1 ZINC001164694457 719809635 /nfs/dbraw/zinc/80/96/35/719809635.db2.gz YEWLPNXBZZHEIK-UHFFFAOYSA-N 1 1 435.956 3.517 20 0 IHADMO COC(=O)c1cc2c[nH]c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)cc-2n1 ZINC001164694038 719811672 /nfs/dbraw/zinc/81/16/72/719811672.db2.gz ZWNBWPAKFABEQS-UHFFFAOYSA-N 1 1 425.558 3.749 20 0 IHADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4c2CN(C)CC4)CC3)cs1 ZINC001164703239 719816364 /nfs/dbraw/zinc/81/63/64/719816364.db2.gz UYULWAHISYLXGV-UHFFFAOYSA-N 1 1 433.025 3.518 20 0 IHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc2ccccc21 ZINC001164701995 719850361 /nfs/dbraw/zinc/85/03/61/719850361.db2.gz MJHVJEKSSGSKQF-RXFWQSSRSA-N 1 1 446.551 3.530 20 0 IHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)ccc2ccc(Cl)nc21 ZINC001164703025 719877351 /nfs/dbraw/zinc/87/73/51/719877351.db2.gz JQJWNMCOQXEIIA-YCRPNKLZSA-N 1 1 438.355 3.774 20 0 IHADMO COC(=O)c1ccc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164696051 719890465 /nfs/dbraw/zinc/89/04/65/719890465.db2.gz VOZQYTXWJPGYID-UHFFFAOYSA-N 1 1 437.565 3.954 20 0 IHADMO FC(F)(COc1ccc(Cl)nn1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697545 719897634 /nfs/dbraw/zinc/89/76/34/719897634.db2.gz KSWXKDUIZXDXTO-UHFFFAOYSA-N 1 1 444.935 3.530 20 0 IHADMO CCCSc1ncnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1OC ZINC001164705928 719907998 /nfs/dbraw/zinc/90/79/98/719907998.db2.gz FZGRQTXSXLYZPE-UHFFFAOYSA-N 1 1 434.631 3.920 20 0 IHADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@@H]2CCCO[C@@H]12 ZINC001164710361 720063930 /nfs/dbraw/zinc/06/39/30/720063930.db2.gz FDGQBRNSDCPKNC-JBYIUTFZSA-N 1 1 442.629 3.939 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccoc31)CC2 ZINC001164711516 720101219 /nfs/dbraw/zinc/10/12/19/720101219.db2.gz QGVKADQANRVHSU-KRWDZBQOSA-N 1 1 427.936 3.779 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)ncc1Cl)CC2 ZINC001164710668 720103412 /nfs/dbraw/zinc/10/34/12/720103412.db2.gz KVYYLDWVNUADNU-QGZVFWFLSA-N 1 1 434.009 3.754 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1SC)CC2 ZINC001164718540 720122157 /nfs/dbraw/zinc/12/21/57/720122157.db2.gz RXHPYKZSCKUNBK-KRWDZBQOSA-N 1 1 434.009 3.754 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164711283 720129786 /nfs/dbraw/zinc/12/97/86/720129786.db2.gz GZUYQYASOXEXKP-FQEVSTJZSA-N 1 1 448.546 3.580 20 0 IHADMO CCOC(=O)c1cc2c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)[nH]c(C)c(C)c-2n1 ZINC001164808499 720133389 /nfs/dbraw/zinc/13/33/89/720133389.db2.gz FHUVEBXRYQITMH-CLOONOSVSA-N 1 1 440.588 3.541 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)C2 ZINC001164816863 720173126 /nfs/dbraw/zinc/17/31/26/720173126.db2.gz NMHCEFUEFGRYQQ-CPJSRVTESA-N 1 1 433.556 3.778 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001164817092 720193782 /nfs/dbraw/zinc/19/37/82/720193782.db2.gz NYELSRUIXJIOIX-WZONZLPQSA-N 1 1 435.996 3.875 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(Cl)nc1-c1ccccc1)CCC2 ZINC001164814488 720240088 /nfs/dbraw/zinc/24/00/88/720240088.db2.gz VGOVEBLSCXIXTN-UHFFFAOYSA-N 1 1 438.963 3.604 20 0 IHADMO O=C(c1cc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1)N1CCCCC1 ZINC001164729822 720351396 /nfs/dbraw/zinc/35/13/96/720351396.db2.gz YLHWSQOQYWDPDK-VQTJNVASSA-N 1 1 425.964 3.609 20 0 IHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723109 720371634 /nfs/dbraw/zinc/37/16/34/720371634.db2.gz GESJLMMYRZTOKG-RBUKOAKNSA-N 1 1 435.553 3.630 20 0 IHADMO COc1cc2nc(Cl)c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2cc1OC ZINC001164725053 720387957 /nfs/dbraw/zinc/38/79/57/720387957.db2.gz LKYMHFGNOZPHSW-ZWKOTPCHSA-N 1 1 425.920 3.549 20 0 IHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164732111 720425656 /nfs/dbraw/zinc/42/56/56/720425656.db2.gz MYTLZSXXJIALQD-ROUUACIJSA-N 1 1 436.890 3.705 20 0 IHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164732111 720425662 /nfs/dbraw/zinc/42/56/62/720425662.db2.gz MYTLZSXXJIALQD-ROUUACIJSA-N 1 1 436.890 3.705 20 0 IHADMO COc1ccc(Cc2c(C)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164722430 720471822 /nfs/dbraw/zinc/47/18/22/720471822.db2.gz AJVPYPBSQYLKAI-LOSJGSFVSA-N 1 1 429.568 3.941 20 0 IHADMO C[N@@H+](Cc1ccc(N2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1)C1CC1 ZINC001164730189 720495324 /nfs/dbraw/zinc/49/53/24/720495324.db2.gz SSORTUNUFNGNSY-NBGIEHNGSA-N 1 1 440.563 3.539 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835761 720514021 /nfs/dbraw/zinc/51/40/21/720514021.db2.gz LDZZPIKZHZDMMP-QLFBSQMISA-N 1 1 445.345 3.903 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)Oc3ccc(Cl)nc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833302 720524564 /nfs/dbraw/zinc/52/45/64/720524564.db2.gz CZVFVLFBBWXSDK-XYJFISCASA-N 1 1 425.911 3.734 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)Oc3cccc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837934 720524620 /nfs/dbraw/zinc/52/46/20/720524620.db2.gz QQJSWUSABSRNDZ-YESZJQIVSA-N 1 1 425.911 3.734 20 0 IHADMO CSc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)n1)CCCC2 ZINC001164839584 720537621 /nfs/dbraw/zinc/53/76/21/720537621.db2.gz QQQFXLANFFYYJE-LVCYWYKZSA-N 1 1 426.634 3.652 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ccc3CN3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842937 720558273 /nfs/dbraw/zinc/55/82/73/720558273.db2.gz ZBQGBADJDQKXPI-BHIFYINESA-N 1 1 443.039 3.905 20 0 IHADMO COc1cc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2cc1OC ZINC001164838952 720562535 /nfs/dbraw/zinc/56/25/35/720562535.db2.gz OYKSYHLPKMBJIW-KCZVDYSFSA-N 1 1 435.572 3.826 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4ccccc4nc3N3CCCC3)CC[C@@H]21 ZINC001164840173 720596012 /nfs/dbraw/zinc/59/60/12/720596012.db2.gz PEJRAQNTRAFHCF-HFMPRLQTSA-N 1 1 445.615 3.804 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4c(F)cccc4F)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844157 720620533 /nfs/dbraw/zinc/62/05/33/720620533.db2.gz ZLVFPOQOQFBGFC-KGVIQGDOSA-N 1 1 438.526 3.996 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4nc(C5CC5)no4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838725 720633828 /nfs/dbraw/zinc/63/38/28/720633828.db2.gz LDEUBPRQJGCVKY-PCCBWWKXSA-N 1 1 433.560 3.583 20 0 IHADMO COc1cc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844173 720638884 /nfs/dbraw/zinc/63/88/84/720638884.db2.gz ZOPDEUCNJBOMJN-SELNLUPBSA-N 1 1 435.572 3.826 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(-c4ccncc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835981 720639652 /nfs/dbraw/zinc/63/96/52/720639652.db2.gz DHQLCWGPETZPIL-SVFBPWRDSA-N 1 1 437.979 3.766 20 0 IHADMO COC(=O)c1cc2c[nH]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc-2n1 ZINC001164841020 720706998 /nfs/dbraw/zinc/70/69/98/720706998.db2.gz UJCLUNCCQCRDFK-HXUWFJFHSA-N 1 1 434.540 3.609 20 0 IHADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742135 720787393 /nfs/dbraw/zinc/78/73/93/720787393.db2.gz CHDWSBYTCVPJJL-SJORKVTESA-N 1 1 431.874 3.565 20 0 IHADMO Clc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2ccsc2n1 ZINC001164742683 720822528 /nfs/dbraw/zinc/82/25/28/720822528.db2.gz QMFOTJAKHKXXLO-SOLBZPMBSA-N 1 1 428.993 3.921 20 0 IHADMO Clc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2sccc2n1 ZINC001164739211 720822770 /nfs/dbraw/zinc/82/27/70/720822770.db2.gz HSMGMMDEHAFNRC-LZLYRXPVSA-N 1 1 428.993 3.921 20 0 IHADMO Clc1ccccc1-c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164740023 720837278 /nfs/dbraw/zinc/83/72/78/720837278.db2.gz BOXCESKIIFGBSQ-SELNLUPBSA-N 1 1 449.990 3.768 20 0 IHADMO FC(F)c1nc2ccccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164751095 720851010 /nfs/dbraw/zinc/85/10/10/720851010.db2.gz YMGSDLDLMQUYJZ-MBOZVWFJSA-N 1 1 439.514 3.538 20 0 IHADMO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cc1 ZINC001164747595 720852427 /nfs/dbraw/zinc/85/24/27/720852427.db2.gz IDFBQVWXWZGIFJ-JBRSBNLGSA-N 1 1 443.599 3.677 20 0 IHADMO Cc1nc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164748054 720868188 /nfs/dbraw/zinc/86/81/88/720868188.db2.gz DNLAKNXCFLPPIJ-XUZZJYLKSA-N 1 1 442.007 3.897 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC[C@@H]2C1 ZINC001164857540 720873548 /nfs/dbraw/zinc/87/35/48/720873548.db2.gz JVUUDHIAQMOSRN-XLIONFOSSA-N 1 1 442.560 3.671 20 0 IHADMO Fc1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752984 720875810 /nfs/dbraw/zinc/87/58/10/720875810.db2.gz OBIQEANSWKWNME-HFZDXXHNSA-N 1 1 447.558 3.919 20 0 IHADMO c1coc(-c2cnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)cn2)c1 ZINC001164750476 720885529 /nfs/dbraw/zinc/88/55/29/720885529.db2.gz BHNMLLQBYHDRTE-BKMJKUGQSA-N 1 1 445.567 3.887 20 0 IHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ncnc4c2CCCC4)C3)c1 ZINC001164756281 720885694 /nfs/dbraw/zinc/88/56/94/720885694.db2.gz PBDDNIGDCVRPQS-GJZUVCINSA-N 1 1 433.600 3.506 20 0 IHADMO COc1cc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755686 720887394 /nfs/dbraw/zinc/88/73/94/720887394.db2.gz MNZNLCWTHCWNBB-YKSBVNFPSA-N 1 1 442.991 3.894 20 0 IHADMO c1c[nH]c(-c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)n1 ZINC001164754374 720899488 /nfs/dbraw/zinc/89/94/88/720899488.db2.gz IPRKOEKUMJOPOS-JYFHCDHNSA-N 1 1 444.583 3.622 20 0 IHADMO FC(F)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164755062 720930402 /nfs/dbraw/zinc/93/04/02/720930402.db2.gz XZRIAQKLGMZYSH-REWPJTCUSA-N 1 1 429.515 3.564 20 0 IHADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164861842 720956539 /nfs/dbraw/zinc/95/65/39/720956539.db2.gz ULQSMQXMOONAQX-ZDUSSCGKSA-N 1 1 441.910 3.684 20 0 IHADMO COc1ccc(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nn2)c(OC)c1 ZINC001164861397 721011016 /nfs/dbraw/zinc/01/10/16/721011016.db2.gz OITSNQWKOPLWKC-QGZVFWFLSA-N 1 1 436.560 3.779 20 0 IHADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869927 721062910 /nfs/dbraw/zinc/06/29/10/721062910.db2.gz UNLCGDQYSXYVRY-ZWKOTPCHSA-N 1 1 445.901 3.703 20 0 IHADMO Clc1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nc2c1 ZINC001164868118 721074488 /nfs/dbraw/zinc/07/44/88/721074488.db2.gz MJFKXYHPLYFWFV-DLBZAZTESA-N 1 1 430.339 3.811 20 0 IHADMO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867079 721075758 /nfs/dbraw/zinc/07/57/58/721075758.db2.gz HOQRZECIDIGFAJ-MSOLQXFVSA-N 1 1 445.901 3.703 20 0 IHADMO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866959 721080087 /nfs/dbraw/zinc/08/00/87/721080087.db2.gz VPFIKOMTCDZCJX-QZTJIDSGSA-N 1 1 445.901 3.703 20 0 IHADMO Clc1ccc2c(c1)nc(Cl)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864927 721086526 /nfs/dbraw/zinc/08/65/26/721086526.db2.gz HNVODNLBIWBOPR-IAGOWNOFSA-N 1 1 430.339 3.811 20 0 IHADMO Clc1cccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164865800 721088117 /nfs/dbraw/zinc/08/81/17/721088117.db2.gz PPCIWUNEWKVLOD-HZPDHXFCSA-N 1 1 430.339 3.811 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C[C@H]3C2)cn1 ZINC001164771336 721119185 /nfs/dbraw/zinc/11/91/85/721119185.db2.gz SDYHCVZFHYYJNJ-HZPDHXFCSA-N 1 1 432.906 3.520 20 0 IHADMO Cc1nc2sc3c(c2c(N2CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164876973 721138948 /nfs/dbraw/zinc/13/89/48/721138948.db2.gz NHEDKTVXLCPPIL-MOPGFXCFSA-N 1 1 435.597 3.753 20 0 IHADMO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164881206 721140605 /nfs/dbraw/zinc/14/06/05/721140605.db2.gz ZVQNAZRAWLIONE-YADHBBJMSA-N 1 1 438.535 3.567 20 0 IHADMO c1cc2c(nc(-c3ccncc3)nc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164878511 721173503 /nfs/dbraw/zinc/17/35/03/721173503.db2.gz QJGPJYPUHLNKOM-UXHICEINSA-N 1 1 444.564 3.628 20 0 IHADMO CC(C)(C)OC(=O)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164880701 721177890 /nfs/dbraw/zinc/17/78/90/721177890.db2.gz XDDIXDXBOLVCDU-RTBURBONSA-N 1 1 444.963 3.565 20 0 IHADMO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869277 721185876 /nfs/dbraw/zinc/18/58/76/721185876.db2.gz PWKSGWYWBLCQHT-HOCLYGCPSA-N 1 1 445.297 3.688 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C[C@H]3C2)cn1 ZINC001164772374 721198149 /nfs/dbraw/zinc/19/81/49/721198149.db2.gz UGCJOZVCZWHTRG-DLBZAZTESA-N 1 1 442.926 3.753 20 0 IHADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764588 721238560 /nfs/dbraw/zinc/23/85/60/721238560.db2.gz OWNVMDJYUCBASE-OALUTQOASA-N 1 1 438.963 3.923 20 0 IHADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164763270 721238801 /nfs/dbraw/zinc/23/88/01/721238801.db2.gz NALTZDGNPLRHRS-MOPGFXCFSA-N 1 1 438.963 3.923 20 0 IHADMO Cc1cc2c(ncnc2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)s1 ZINC001164778106 721330459 /nfs/dbraw/zinc/33/04/59/721330459.db2.gz UMBSURQPJVAEJL-JOCHJYFZSA-N 1 1 427.574 3.724 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CCCC4)C2)C1 ZINC001164778683 721340570 /nfs/dbraw/zinc/34/05/70/721340570.db2.gz NSKPKMPASKGTPS-HSZRJFAPSA-N 1 1 445.995 3.733 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CCCC4)C2)C1 ZINC001164778683 721340572 /nfs/dbraw/zinc/34/05/72/721340572.db2.gz NSKPKMPASKGTPS-HSZRJFAPSA-N 1 1 445.995 3.733 20 0 IHADMO CCc1cc2c(ncnc2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)s1 ZINC001164777358 721349550 /nfs/dbraw/zinc/34/95/50/721349550.db2.gz GLCURZCBXBOKIW-QHCPKHFHSA-N 1 1 441.601 3.978 20 0 IHADMO COc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc2ccccc21 ZINC001164779945 721360441 /nfs/dbraw/zinc/36/04/41/721360441.db2.gz BABRUIWTOIPHKN-VWLOTQADSA-N 1 1 436.556 3.967 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@@H]3C2)nc1 ZINC001164881239 721367088 /nfs/dbraw/zinc/36/70/88/721367088.db2.gz ANBFDFGZJAHOPL-DNVJHFABSA-N 1 1 438.547 3.778 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4cccs4)ncn3)C2)C1 ZINC001164782929 721367616 /nfs/dbraw/zinc/36/76/16/721367616.db2.gz NPPLZRZYBQVHBG-HSZRJFAPSA-N 1 1 439.585 3.929 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4cccs4)ncn3)C2)C1 ZINC001164782929 721367621 /nfs/dbraw/zinc/36/76/21/721367621.db2.gz NPPLZRZYBQVHBG-HSZRJFAPSA-N 1 1 439.585 3.929 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc5ccc(F)cc54)C3)O2)CC1 ZINC001164886101 721397550 /nfs/dbraw/zinc/39/75/50/721397550.db2.gz DLAXQVDFGASZJF-WMZHIEFXSA-N 1 1 432.971 3.793 20 0 IHADMO COC(=O)c1ccc(-c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2C)cc1 ZINC001164788284 721423348 /nfs/dbraw/zinc/42/33/48/721423348.db2.gz SRNWLNYPSIBNBQ-PMACEKPBSA-N 1 1 434.565 3.868 20 0 IHADMO Cc1ccc2cc(Cl)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164890554 721423720 /nfs/dbraw/zinc/42/37/20/721423720.db2.gz SZNZJWOYTDNTCZ-YKSBVNFPSA-N 1 1 429.008 3.962 20 0 IHADMO Cc1c(Cl)ccc2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc21 ZINC001164896199 721427663 /nfs/dbraw/zinc/42/76/63/721427663.db2.gz RBMBIURTDSKSSP-GBXCKJPGSA-N 1 1 429.008 3.962 20 0 IHADMO COc1ccc(Cc2c(C)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2C)cc1 ZINC001164782706 721434939 /nfs/dbraw/zinc/43/49/39/721434939.db2.gz HKLIZNDOKXIMAQ-PMACEKPBSA-N 1 1 435.597 3.718 20 0 IHADMO COc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164791095 721437901 /nfs/dbraw/zinc/43/79/01/721437901.db2.gz ZNYXFEGNKOZHQS-GJZGRUSLSA-N 1 1 443.960 3.956 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164786766 721460024 /nfs/dbraw/zinc/46/00/24/721460024.db2.gz PHGBOUKXRKAIQQ-WIYYLYMNSA-N 1 1 441.975 3.596 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164785557 721460032 /nfs/dbraw/zinc/46/00/32/721460032.db2.gz LWTVSFYSBCJDPH-NQIIRXRSSA-N 1 1 441.975 3.596 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164789390 721461486 /nfs/dbraw/zinc/46/14/86/721461486.db2.gz XPXYONNDKGEUBF-FQEVSTJZSA-N 1 1 449.599 3.845 20 0 IHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164795454 721500735 /nfs/dbraw/zinc/50/07/35/721500735.db2.gz HMQKHHLCEKGCGM-UHFFFAOYSA-N 1 1 447.921 3.779 20 0 IHADMO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795576 721504141 /nfs/dbraw/zinc/50/41/41/721504141.db2.gz LRBAILLQPXSMPU-UHFFFAOYSA-N 1 1 437.922 3.960 20 0 IHADMO COc1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164899039 721508649 /nfs/dbraw/zinc/50/86/49/721508649.db2.gz JRVVMWWSLODNIS-YJBOKZPZSA-N 1 1 428.895 3.773 20 0 IHADMO COc1ccc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1 ZINC001164794756 721525110 /nfs/dbraw/zinc/52/51/10/721525110.db2.gz HLBNTMSLQIROLB-HKBOAZHASA-N 1 1 439.947 3.555 20 0 IHADMO COc1ccc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1 ZINC001164794756 721525112 /nfs/dbraw/zinc/52/51/12/721525112.db2.gz HLBNTMSLQIROLB-HKBOAZHASA-N 1 1 439.947 3.555 20 0 IHADMO COc1cccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164908335 721538155 /nfs/dbraw/zinc/53/81/55/721538155.db2.gz PTKNJVMBTOMTJW-WBVHZDCISA-N 1 1 428.895 3.773 20 0 IHADMO Cc1nc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(Cl)c1C ZINC001164908095 721542578 /nfs/dbraw/zinc/54/25/78/721542578.db2.gz OQEZZRMYRPYBOE-WBVHZDCISA-N 1 1 426.870 3.773 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3c[nH]c4ccccc34)n2)[C@H]2CCCO[C@H]12 ZINC001164807841 721551453 /nfs/dbraw/zinc/55/14/53/721551453.db2.gz RNUCHSBOLWRCJN-GVAUOCQISA-N 1 1 440.551 3.888 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3c[nH]c4ccccc34)n2)[C@H]2CCCO[C@H]12 ZINC001164807841 721551455 /nfs/dbraw/zinc/55/14/55/721551455.db2.gz RNUCHSBOLWRCJN-GVAUOCQISA-N 1 1 440.551 3.888 20 0 IHADMO Cc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164909213 721561628 /nfs/dbraw/zinc/56/16/28/721561628.db2.gz SYPNUVWMOMZDSQ-RBBKRZOGSA-N 1 1 447.514 3.518 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164801658 721565190 /nfs/dbraw/zinc/56/51/90/721565190.db2.gz HAFGENHIMPJFSH-JTAQYXEDSA-N 1 1 429.524 3.948 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164801658 721565192 /nfs/dbraw/zinc/56/51/92/721565192.db2.gz HAFGENHIMPJFSH-JTAQYXEDSA-N 1 1 429.524 3.948 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3cccc(F)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164809872 721571668 /nfs/dbraw/zinc/57/16/68/721571668.db2.gz XRZXBSUJAFRVOH-XPNTWCBSSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3cccc(F)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164809872 721571671 /nfs/dbraw/zinc/57/16/71/721571671.db2.gz XRZXBSUJAFRVOH-XPNTWCBSSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(C(C)(C)C)no3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164799710 721572054 /nfs/dbraw/zinc/57/20/54/721572054.db2.gz DGHVLGYAKQYWCG-SJBKTWHCSA-N 1 1 448.571 3.692 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)nccc32)[C@@H]2CCCO[C@H]21 ZINC001164808753 721574771 /nfs/dbraw/zinc/57/47/71/721574771.db2.gz VNUAUMZRLHFNES-JFIYKMOQSA-N 1 1 445.354 3.595 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)nccc32)[C@@H]2CCCO[C@H]21 ZINC001164808753 721574774 /nfs/dbraw/zinc/57/47/74/721574774.db2.gz VNUAUMZRLHFNES-JFIYKMOQSA-N 1 1 445.354 3.595 20 0 IHADMO CCc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)cc1 ZINC001164800011 721583941 /nfs/dbraw/zinc/58/39/41/721583941.db2.gz BFOFAQXVHYOOAC-GNKBHMEESA-N 1 1 429.568 3.969 20 0 IHADMO CCc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)cc1 ZINC001164800011 721583946 /nfs/dbraw/zinc/58/39/46/721583946.db2.gz BFOFAQXVHYOOAC-GNKBHMEESA-N 1 1 429.568 3.969 20 0 IHADMO CCOC(=O)/C=C\c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906607 721585629 /nfs/dbraw/zinc/58/56/29/721585629.db2.gz NQKDCKGLKBTEJS-AXKGWLQCSA-N 1 1 442.510 3.791 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c32)[C@H]2CCCO[C@H]12 ZINC001164804085 721591282 /nfs/dbraw/zinc/59/12/82/721591282.db2.gz IGFIQCUGVFXXSQ-VWPQPMDRSA-N 1 1 432.503 3.513 20 0 IHADMO FC1(F)CCN(c2nc(Cl)nc3c2SCC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906646 721698246 /nfs/dbraw/zinc/69/82/46/721698246.db2.gz NVTXGVVMOZARNY-IBGZPJMESA-N 1 1 437.947 3.911 20 0 IHADMO COC(=O)c1ccc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907771 721707812 /nfs/dbraw/zinc/70/78/12/721707812.db2.gz TZYUTPQSFBOKBR-HXUWFJFHSA-N 1 1 436.890 3.654 20 0 IHADMO COC(=O)c1cnc(Cl)cc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910035 721744124 /nfs/dbraw/zinc/74/41/24/721744124.db2.gz YZYKVUBMFVGTHP-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COC(=O)c1cnc(Cl)cc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910035 721744126 /nfs/dbraw/zinc/74/41/26/721744126.db2.gz YZYKVUBMFVGTHP-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COC(=O)c1ccc2cnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc2c1 ZINC001164909361 721747501 /nfs/dbraw/zinc/74/75/01/721747501.db2.gz PLFYLGNXZMLLIN-UHFFFAOYSA-N 1 1 443.507 3.599 20 0 IHADMO COC(=O)c1ccc2cnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc2c1 ZINC001164909361 721747513 /nfs/dbraw/zinc/74/75/13/721747513.db2.gz PLFYLGNXZMLLIN-UHFFFAOYSA-N 1 1 443.507 3.599 20 0 IHADMO COC(=O)CSc1cccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910124 721758964 /nfs/dbraw/zinc/75/89/64/721758964.db2.gz NHTOMELZOIEZAT-UHFFFAOYSA-N 1 1 438.553 3.529 20 0 IHADMO COC(=O)CSc1cccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910124 721758970 /nfs/dbraw/zinc/75/89/70/721758970.db2.gz NHTOMELZOIEZAT-UHFFFAOYSA-N 1 1 438.553 3.529 20 0 IHADMO Fc1ccc2nc(Cl)cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912976 721774937 /nfs/dbraw/zinc/77/49/37/721774937.db2.gz SMCJPDAQIJDQOI-HSZRJFAPSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1ccc2nc(Cl)cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912976 721774939 /nfs/dbraw/zinc/77/49/39/721774939.db2.gz SMCJPDAQIJDQOI-HSZRJFAPSA-N 1 1 442.922 3.530 20 0 IHADMO Cc1csc2c1nc(Cl)cc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916974 721790497 /nfs/dbraw/zinc/79/04/97/721790497.db2.gz UITNNIMAYGBDNP-JOCHJYFZSA-N 1 1 444.988 3.761 20 0 IHADMO Cc1csc2c1nc(Cl)cc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916974 721790501 /nfs/dbraw/zinc/79/05/01/721790501.db2.gz UITNNIMAYGBDNP-JOCHJYFZSA-N 1 1 444.988 3.761 20 0 IHADMO Cc1cccc2cc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164915234 721800047 /nfs/dbraw/zinc/80/00/47/721800047.db2.gz UJCKVCMOJXSKLW-DEOSSOPVSA-N 1 1 438.959 3.699 20 0 IHADMO Cc1cccc2cc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164915234 721800049 /nfs/dbraw/zinc/80/00/49/721800049.db2.gz UJCKVCMOJXSKLW-DEOSSOPVSA-N 1 1 438.959 3.699 20 0 IHADMO COc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c(OC)c1 ZINC001165029638 721814789 /nfs/dbraw/zinc/81/47/89/721814789.db2.gz ZWRUZLRXUQQTJM-UCNVEGJOSA-N 1 1 433.556 3.779 20 0 IHADMO CCOC(=O)c1cnc2cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]cc1-2 ZINC001165027322 721821984 /nfs/dbraw/zinc/82/19/84/721821984.db2.gz RWVMDHGLKIFJSY-LXBDKUERSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cnc2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]cc1-2 ZINC001165027322 721821987 /nfs/dbraw/zinc/82/19/87/721821987.db2.gz RWVMDHGLKIFJSY-LXBDKUERSA-N 1 1 433.556 3.872 20 0 IHADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164923127 721866406 /nfs/dbraw/zinc/86/64/06/721866406.db2.gz IHQHRBNCFNBAHP-CABCVRRESA-N 1 1 430.330 3.696 20 0 IHADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164923127 721866408 /nfs/dbraw/zinc/86/64/08/721866408.db2.gz IHQHRBNCFNBAHP-CABCVRRESA-N 1 1 430.330 3.696 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)CC3)C2)cc1 ZINC001164940149 721920466 /nfs/dbraw/zinc/92/04/66/721920466.db2.gz ZDBOPLWVMKGLGG-UHFFFAOYSA-N 1 1 429.927 3.930 20 0 IHADMO COc1nc(-c2ccccc2)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939434 721927678 /nfs/dbraw/zinc/92/76/78/721927678.db2.gz LGPJBYVYYCSUBS-UHFFFAOYSA-N 1 1 445.567 3.727 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C(N)=O)cc5ccccc54)CC3)C2)cc1 ZINC001164939927 721931657 /nfs/dbraw/zinc/93/16/57/721931657.db2.gz OYQRECIIXQMCJO-UHFFFAOYSA-N 1 1 430.552 3.514 20 0 IHADMO COC[C@]12COC[C@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164954964 721994907 /nfs/dbraw/zinc/99/49/07/721994907.db2.gz YJOVVEYQKQTUNP-HOZJOUCCSA-N 1 1 442.629 3.511 20 0 IHADMO O=C(c1ccco1)N1CC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164956641 722046753 /nfs/dbraw/zinc/04/67/53/722046753.db2.gz CDGCDKDXMIPWQW-FYYLOGMGSA-N 1 1 428.536 3.584 20 0 IHADMO Fc1cc2ncnc(Cl)c2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164963286 722058829 /nfs/dbraw/zinc/05/88/29/722058829.db2.gz VNUSCNBWYLGXIG-UHFFFAOYSA-N 1 1 441.938 3.936 20 0 IHADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164966247 722062424 /nfs/dbraw/zinc/06/24/24/722062424.db2.gz OYOYUDGOLCIDOU-LJQANCHMSA-N 1 1 434.588 3.985 20 0 IHADMO CSc1nc2sccc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164986241 722103410 /nfs/dbraw/zinc/10/34/10/722103410.db2.gz YNVOYPNEVHIZJZ-FUHWJXTLSA-N 1 1 427.599 3.536 20 0 IHADMO Fc1cccc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164972412 722110021 /nfs/dbraw/zinc/11/00/21/722110021.db2.gz FDJJBQZGSSOIHJ-LPHOPBHVSA-N 1 1 427.911 3.545 20 0 IHADMO Fc1cc2nc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1F ZINC001164972447 722111779 /nfs/dbraw/zinc/11/17/79/722111779.db2.gz FOOIHDUAFFRFNW-FOIQADDNSA-N 1 1 445.901 3.684 20 0 IHADMO Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CCCCC2 ZINC001164976660 722114057 /nfs/dbraw/zinc/11/40/57/722114057.db2.gz MAYVNGBLVUVWHL-NQIIRXRSSA-N 1 1 427.980 3.521 20 0 IHADMO Clc1cc(Cc2ccccc2)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982830 722132915 /nfs/dbraw/zinc/13/29/15/722132915.db2.gz SURPYVROJGEIQY-JTHBVZDNSA-N 1 1 449.986 3.843 20 0 IHADMO Fc1cccc(Oc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164983890 722134799 /nfs/dbraw/zinc/13/47/99/722134799.db2.gz VYWZZSUHIJGZTR-SIKLNZKXSA-N 1 1 435.503 3.530 20 0 IHADMO Clc1ccc2[nH]c3ncnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c3c2c1 ZINC001164976985 722137314 /nfs/dbraw/zinc/13/73/14/722137314.db2.gz HMJZJZOPCKHAFF-UTKZUKDTSA-N 1 1 448.958 3.887 20 0 IHADMO Clc1cccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164974353 722141594 /nfs/dbraw/zinc/14/15/94/722141594.db2.gz DJHCNRUHVZYLFU-NZQKXSOJSA-N 1 1 435.959 3.919 20 0 IHADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164983275 722145445 /nfs/dbraw/zinc/14/54/45/722145445.db2.gz SXGIPLRESGPSRA-RDGATRHJSA-N 1 1 429.568 3.883 20 0 IHADMO CCOC(=O)c1cnc(SC)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995660 722191915 /nfs/dbraw/zinc/19/19/15/722191915.db2.gz WSLQNTOWWXCFIR-JOCHJYFZSA-N 1 1 430.549 3.759 20 0 IHADMO Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)cc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164994893 722196739 /nfs/dbraw/zinc/19/67/39/722196739.db2.gz QPLJSIRTBARBKZ-QHCPKHFHSA-N 1 1 429.971 3.981 20 0 IHADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164994404 722207094 /nfs/dbraw/zinc/20/70/94/722207094.db2.gz GDVNMDVACUQPRJ-QFIPXVFZSA-N 1 1 443.910 3.782 20 0 IHADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)cc2C1 ZINC001164994752 722213741 /nfs/dbraw/zinc/21/37/41/722213741.db2.gz DAFPOLADWHNSTL-DFBJGRDBSA-N 1 1 438.547 3.529 20 0 IHADMO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC001175707966 1126149407 /nfs/dbraw/zinc/14/94/07/1126149407.db2.gz OIKWXNUBWMRULR-SFHVURJKSA-N 1 1 438.347 3.653 20 0 IHADMO COC(=O)[C@@]1(C)CCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164391958 718805282 /nfs/dbraw/zinc/80/52/82/718805282.db2.gz XFSBBLFTGRLGDM-IQMFZBJNSA-N 1 1 428.602 3.944 20 0 IHADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164631032 719163930 /nfs/dbraw/zinc/16/39/30/719163930.db2.gz ADBJWIOTNRSGTE-IRXDYDNUSA-N 1 1 431.519 3.556 20 0 IHADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164648830 719298473 /nfs/dbraw/zinc/29/84/73/719298473.db2.gz GFBRFWUKKAMJIL-AJSBUHFISA-N 1 1 431.540 3.688 20 0 IHADMO CSc1nc(Cl)cc(C(F)(F)N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164649789 719307550 /nfs/dbraw/zinc/30/75/50/719307550.db2.gz YFUPHLDPVCFBDI-UHFFFAOYSA-N 1 1 430.956 3.799 20 0 IHADMO Cc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c12 ZINC001164671391 719501858 /nfs/dbraw/zinc/50/18/58/719501858.db2.gz FGWGCMVDBNODDE-UHFFFAOYSA-N 1 1 429.927 3.930 20 0 IHADMO Cc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c12 ZINC001164671391 719501867 /nfs/dbraw/zinc/50/18/67/719501867.db2.gz FGWGCMVDBNODDE-UHFFFAOYSA-N 1 1 429.927 3.930 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)CC2 ZINC001164689660 719739825 /nfs/dbraw/zinc/73/98/25/719739825.db2.gz JZZPBNDPFWHGEF-UHFFFAOYSA-N 1 1 439.560 3.678 20 0 IHADMO COC(=O)CSc1cccc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692630 719812672 /nfs/dbraw/zinc/81/26/72/719812672.db2.gz PUBMKJCXXJTQMA-UHFFFAOYSA-N 1 1 432.615 3.747 20 0 IHADMO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164697961 719816997 /nfs/dbraw/zinc/81/69/97/719816997.db2.gz CJMNUUCTJPQOIZ-UHFFFAOYSA-N 1 1 449.024 3.670 20 0 IHADMO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164695662 719887010 /nfs/dbraw/zinc/88/70/10/719887010.db2.gz PQDHACKWEQHSTK-UHFFFAOYSA-N 1 1 428.936 3.916 20 0 IHADMO CC(C)(C)OC(=O)Nc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncn1 ZINC001164696063 719888040 /nfs/dbraw/zinc/88/80/40/719888040.db2.gz VUFGIZWNTCXLFD-UHFFFAOYSA-N 1 1 445.589 3.757 20 0 IHADMO COC(=O)c1ccc2c(ccnc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164695335 719890416 /nfs/dbraw/zinc/89/04/16/719890416.db2.gz OJYCBDWKBVWBRY-UHFFFAOYSA-N 1 1 437.565 3.954 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)nc1 ZINC001164801765 720052174 /nfs/dbraw/zinc/05/21/74/720052174.db2.gz GOVVNLCPZDGFQD-OYRHQHFDSA-N 1 1 439.604 3.670 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)n1)CC2 ZINC001164711185 720093293 /nfs/dbraw/zinc/09/32/93/720093293.db2.gz PDZKKYUTGQHEIQ-QGZVFWFLSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(SC)n1)CC2 ZINC001164712093 720095470 /nfs/dbraw/zinc/09/54/70/720095470.db2.gz VIUVXRGSDMBHGJ-QGZVFWFLSA-N 1 1 434.009 3.754 20 0 IHADMO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001164805901 720097282 /nfs/dbraw/zinc/09/72/82/720097282.db2.gz ANFZVNOFJAFPLE-LBNVMWSVSA-N 1 1 446.639 3.825 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001164805901 720097286 /nfs/dbraw/zinc/09/72/86/720097286.db2.gz ANFZVNOFJAFPLE-LBNVMWSVSA-N 1 1 446.639 3.825 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1ccn3C)CC2 ZINC001164718021 720110251 /nfs/dbraw/zinc/11/02/51/720110251.db2.gz QGBZOOYBNGSVRJ-SFHVURJKSA-N 1 1 440.979 3.524 20 0 IHADMO CCOc1cc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c2cc1OCC ZINC001164814933 720117282 /nfs/dbraw/zinc/11/72/82/720117282.db2.gz UOYHYGACYFPCKS-CLOONOSVSA-N 1 1 440.588 3.612 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cnc(Cl)nc1SC)CC2 ZINC001164714310 720117448 /nfs/dbraw/zinc/11/74/48/720117448.db2.gz BUXGYPFUKLUCBM-QGZVFWFLSA-N 1 1 434.009 3.754 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164718047 720117642 /nfs/dbraw/zinc/11/76/42/720117642.db2.gz QVINMTQAFCHCEB-WIYYLYMNSA-N 1 1 434.943 3.765 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816436 720125104 /nfs/dbraw/zinc/12/51/04/720125104.db2.gz YSYHSMCSAXKBPB-RLWLMLJZSA-N 1 1 449.574 3.803 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164711285 720130617 /nfs/dbraw/zinc/13/06/17/720130617.db2.gz GZUYQYASOXEXKP-HXUWFJFHSA-N 1 1 448.546 3.580 20 0 IHADMO CCOC(=O)c1cc2c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)[nH]c(C)c(C)c-2n1 ZINC001164808505 720133796 /nfs/dbraw/zinc/13/37/96/720133796.db2.gz FHUVEBXRYQITMH-UQBPGWFLSA-N 1 1 440.588 3.541 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C3CC3)nc3[nH]ccc31)CC2 ZINC001164714687 720153420 /nfs/dbraw/zinc/15/34/20/720153420.db2.gz XYGGSPXHERAAPF-FQEVSTJZSA-N 1 1 432.572 3.738 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C3CC3)nc3[nH]ccc31)CC2 ZINC001164714689 720155045 /nfs/dbraw/zinc/15/50/45/720155045.db2.gz XYGGSPXHERAAPF-HXUWFJFHSA-N 1 1 432.572 3.738 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c(C)cc(OC)cc31)CC2 ZINC001164715611 720158854 /nfs/dbraw/zinc/15/88/54/720158854.db2.gz VGXJLDFJRJVNHY-NRFANRHFSA-N 1 1 447.583 3.849 20 0 IHADMO CCc1nc2sc3c(c2c(N2CC[C@@]4(C2)C[N@@H+](CC2CC2)C[C@H]4COC)n1)CCC3 ZINC001164818436 720164005 /nfs/dbraw/zinc/16/40/05/720164005.db2.gz STISAXQEPPJEIS-XDHUDOTRSA-N 1 1 426.630 3.927 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001164813017 720171707 /nfs/dbraw/zinc/17/17/07/720171707.db2.gz BOHHUOYNVLWSPF-CYFREDJKSA-N 1 1 435.597 3.938 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001164815604 720172845 /nfs/dbraw/zinc/17/28/45/720172845.db2.gz ILNQCPITAXCVRP-YADARESESA-N 1 1 447.023 3.592 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001164817090 720193137 /nfs/dbraw/zinc/19/31/37/720193137.db2.gz NYELSRUIXJIOIX-MBSDFSHPSA-N 1 1 435.996 3.875 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001164810836 720195367 /nfs/dbraw/zinc/19/53/67/720195367.db2.gz DOKAVYYVJBPAMI-HYBUGGRVSA-N 1 1 442.991 3.894 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164810895 720198791 /nfs/dbraw/zinc/19/87/91/720198791.db2.gz FJNUUHNRVSJTDN-RDTXWAMCSA-N 1 1 436.330 3.998 20 0 IHADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccccc4)c4ccccc4n3)C2)C1 ZINC001164723269 720283703 /nfs/dbraw/zinc/28/37/03/720283703.db2.gz VTPMLIXISYMFOU-HHHXNRCGSA-N 1 1 444.579 3.567 20 0 IHADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccccc4)c4ccccc4n3)C2)C1 ZINC001164723269 720283714 /nfs/dbraw/zinc/28/37/14/720283714.db2.gz VTPMLIXISYMFOU-HHHXNRCGSA-N 1 1 444.579 3.567 20 0 IHADMO c1ccc(CN2CCc3nc(N4CC[C@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723153 720363284 /nfs/dbraw/zinc/36/32/84/720363284.db2.gz GIBDRPDZTSMBRB-IZZNHLLZSA-N 1 1 425.580 3.888 20 0 IHADMO c1ccc(CN2CCc3nc(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723153 720363293 /nfs/dbraw/zinc/36/32/93/720363293.db2.gz GIBDRPDZTSMBRB-IZZNHLLZSA-N 1 1 425.580 3.888 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729297 720429112 /nfs/dbraw/zinc/42/91/12/720429112.db2.gz GUMIVMBZELMIJQ-QZTJIDSGSA-N 1 1 442.901 3.985 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729297 720429120 /nfs/dbraw/zinc/42/91/20/720429120.db2.gz GUMIVMBZELMIJQ-QZTJIDSGSA-N 1 1 442.901 3.985 20 0 IHADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731642 720480382 /nfs/dbraw/zinc/48/03/82/720480382.db2.gz XBJGUTWOEKORLV-SJORKVTESA-N 1 1 437.878 3.620 20 0 IHADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731642 720480386 /nfs/dbraw/zinc/48/03/86/720480386.db2.gz XBJGUTWOEKORLV-SJORKVTESA-N 1 1 437.878 3.620 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4[nH]cc(Cl)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837917 720508672 /nfs/dbraw/zinc/50/86/72/720508672.db2.gz QOYNYWKUEOFBRK-OFQRWUPVSA-N 1 1 434.375 3.839 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccnc(Cl)c3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832373 720511005 /nfs/dbraw/zinc/51/10/05/720511005.db2.gz AJLAOUXCEHNNRS-HLLBOEOZSA-N 1 1 427.902 3.993 20 0 IHADMO CSc1nc2sccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835355 720514011 /nfs/dbraw/zinc/51/40/11/720514011.db2.gz KFHADAMNVODOER-JFIYKMOQSA-N 1 1 428.631 3.988 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c(F)cccc43)CC[C@@H]21 ZINC001164840807 720535016 /nfs/dbraw/zinc/53/50/16/720535016.db2.gz UAJHIWJPVNRGPK-GJYPPUQNSA-N 1 1 428.943 3.997 20 0 IHADMO CSc1nc2ccsc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834634 720535823 /nfs/dbraw/zinc/53/58/23/720535823.db2.gz FKMOLOUJGYPXIS-LZLYRXPVSA-N 1 1 428.631 3.988 20 0 IHADMO CSc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)n1)CCCC2 ZINC001164839585 720537976 /nfs/dbraw/zinc/53/79/76/720537976.db2.gz QQQFXLANFFYYJE-WAOWUJCRSA-N 1 1 426.634 3.652 20 0 IHADMO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2n1 ZINC001164840645 720553019 /nfs/dbraw/zinc/55/30/19/720553019.db2.gz SJYNFRFGIMXHFI-YQVWRLOYSA-N 1 1 440.979 3.866 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cncc(Oc4cccc(F)c4)n3)CC[C@@H]21 ZINC001164839172 720576444 /nfs/dbraw/zinc/57/64/44/720576444.db2.gz PRQRGEQXDSFYNL-VCOUNFBDSA-N 1 1 436.535 3.982 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cnc(OCc4ccccc4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841503 720580562 /nfs/dbraw/zinc/58/05/62/720580562.db2.gz SJZSFJMFIHIDIM-XPWALMASSA-N 1 1 432.572 3.630 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(-c4ccc(N(C)C)cc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843560 720582846 /nfs/dbraw/zinc/58/28/46/720582846.db2.gz YEFXMVFHAWLWDJ-NMVJMZGASA-N 1 1 445.615 3.784 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4ccccc4nc3N3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840169 720596674 /nfs/dbraw/zinc/59/66/74/720596674.db2.gz PEJRAQNTRAFHCF-AWRGLXIESA-N 1 1 445.615 3.804 20 0 IHADMO COc1cccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c1 ZINC001164837765 720604511 /nfs/dbraw/zinc/60/45/11/720604511.db2.gz JHTHEPOMPZBRNR-YZUZCNPQSA-N 1 1 432.572 3.727 20 0 IHADMO COc1cc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2cc1OC ZINC001164835331 720615960 /nfs/dbraw/zinc/61/59/60/720615960.db2.gz BDZQMVQOVYTMFS-FDFHNCONSA-N 1 1 435.572 3.826 20 0 IHADMO 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FC(F)(c1cccc2c(Cl)nccc21)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739040 720737025 /nfs/dbraw/zinc/73/70/25/720737025.db2.gz HXFUOBKAFGJRQA-HUUCEWRRSA-N 1 1 431.874 3.565 20 0 IHADMO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746662 720809166 /nfs/dbraw/zinc/80/91/66/720809166.db2.gz MHZVECWVLZCOHQ-FBBABVLZSA-N 1 1 440.954 3.998 20 0 IHADMO Cc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(Cl)n1 ZINC001164742200 720811732 /nfs/dbraw/zinc/81/17/32/720811732.db2.gz CMJGJRADMHEQPH-BHIYHBOVSA-N 1 1 436.938 3.559 20 0 IHADMO Fc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164740723 720819887 /nfs/dbraw/zinc/81/98/87/720819887.db2.gz LCNXLMNWUOUAHZ-YFVAEKQCSA-N 1 1 440.954 3.998 20 0 IHADMO Cc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164743345 720825658 /nfs/dbraw/zinc/82/56/58/720825658.db2.gz SIFLNMVXJWZPOX-WAOWUJCRSA-N 1 1 437.979 3.563 20 0 IHADMO 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Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4[nH]ccc43)C2)C1 ZINC001164779095 721340251 /nfs/dbraw/zinc/34/02/51/721340251.db2.gz QUDAEZDYWWIJEV-QFIPXVFZSA-N 1 1 429.952 3.940 20 0 IHADMO COc1cccc2ccc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc21 ZINC001164776845 721341767 /nfs/dbraw/zinc/34/17/67/721341767.db2.gz DHOCXGDGKPDXAR-VWLOTQADSA-N 1 1 436.556 3.967 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)nc1 ZINC001164881747 721345788 /nfs/dbraw/zinc/34/57/88/721345788.db2.gz AMZSRTHSQSNZQT-OTNCWRBYSA-N 1 1 426.605 3.530 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4[nH]c5ccccc5c43)C2)C1 ZINC001164777831 721353836 /nfs/dbraw/zinc/35/38/36/721353836.db2.gz ILIVLOFNOOXWHV-VWLOTQADSA-N 1 1 446.555 3.835 20 0 IHADMO COc1ccc2ccc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc2c1 ZINC001164787054 721356534 /nfs/dbraw/zinc/35/65/34/721356534.db2.gz XVECTBKWUCTDOU-VWLOTQADSA-N 1 1 436.556 3.967 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccnc3Oc3ccccc3)C2)C1 ZINC001164782954 721371116 /nfs/dbraw/zinc/37/11/16/721371116.db2.gz OAYOPJBFUJQPHV-VWLOTQADSA-N 1 1 449.555 3.993 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccnc3Oc3ccccc3)C2)C1 ZINC001164782954 721371120 /nfs/dbraw/zinc/37/11/20/721371120.db2.gz OAYOPJBFUJQPHV-VWLOTQADSA-N 1 1 449.555 3.993 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5cc(F)ccc54)C3)O2)CC1 ZINC001164891865 721380106 /nfs/dbraw/zinc/38/01/06/721380106.db2.gz QZMNJPFRGPQCKJ-XXBNENTESA-N 1 1 432.971 3.793 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164892163 721385373 /nfs/dbraw/zinc/38/53/73/721385373.db2.gz RXWKOSYCRDBLCS-VQIMIIECSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4Cl)C3)O2)CC1 ZINC001164890538 721387706 /nfs/dbraw/zinc/38/77/06/721387706.db2.gz NYUSAMKXMNBXEL-KXBFYZLASA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5cc(C(C)(C)C)sc54)C3)O2)CC1 ZINC001164887229 721396397 /nfs/dbraw/zinc/39/63/97/721396397.db2.gz HISFKKZBRLEBFE-HOYKHHGWSA-N 1 1 443.661 3.754 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc(C(C)(C)C)sc54)C3)O2)CC1 ZINC001164887246 721396705 /nfs/dbraw/zinc/39/67/05/721396705.db2.gz HISFKKZBRLEBFE-KOSHJBKYSA-N 1 1 443.661 3.754 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)ncc(Cl)c4Cl)C3)O2)CC1 ZINC001164887237 721414136 /nfs/dbraw/zinc/41/41/36/721414136.db2.gz LPQLFQWBPRJLAK-LIRRHRJNSA-N 1 1 433.811 3.807 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5cc(F)c(Cl)cc54)C3)O2)CC1 ZINC001164890236 721445789 /nfs/dbraw/zinc/44/57/89/721445789.db2.gz CQOYYNQJAKIGAC-FDDCHVKYSA-N 1 1 432.971 3.793 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3ccsc31)CC2 ZINC001164786895 721448417 /nfs/dbraw/zinc/44/84/17/721448417.db2.gz OPGLDFSHGAHKQQ-IBGZPJMESA-N 1 1 430.618 3.734 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5cccc(F)c54)C3)O2)CC1 ZINC001164893314 721453488 /nfs/dbraw/zinc/45/34/88/721453488.db2.gz ZBLOMAZUYNGOOA-JPYJTQIMSA-N 1 1 432.971 3.793 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164784180 721458394 /nfs/dbraw/zinc/45/83/94/721458394.db2.gz HDSNPMDASZGXQZ-IBGZPJMESA-N 1 1 449.039 3.743 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)nc1 ZINC001164793735 721488326 /nfs/dbraw/zinc/48/83/26/721488326.db2.gz UZTAKZRBJAEWQF-ZYKOEDHHSA-N 1 1 426.536 3.694 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2F)[C@H]2CCCO[C@H]12 ZINC001164806598 721529251 /nfs/dbraw/zinc/52/92/51/721529251.db2.gz OXXYASNTDYRWNB-JZXOWHBKSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2F)[C@H]2CCCO[C@H]12 ZINC001164806598 721529254 /nfs/dbraw/zinc/52/92/54/721529254.db2.gz OXXYASNTDYRWNB-JZXOWHBKSA-N 1 1 426.870 3.682 20 0 IHADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909260 721545744 /nfs/dbraw/zinc/54/57/44/721545744.db2.gz RCMIDUCICNYHMF-DOTOQJQBSA-N 1 1 430.915 3.542 20 0 IHADMO COc1cccc(Oc2cncc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)c1 ZINC001164907295 721545961 /nfs/dbraw/zinc/54/59/61/721545961.db2.gz MWFPAXJNOMEYRC-GCJKJVERSA-N 1 1 436.487 3.759 20 0 IHADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909262 721546341 /nfs/dbraw/zinc/54/63/41/721546341.db2.gz RCMIDUCICNYHMF-NVXWUHKLSA-N 1 1 430.915 3.542 20 0 IHADMO CN(C)c1ccc(-c2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164905824 721547984 /nfs/dbraw/zinc/54/79/84/721547984.db2.gz IPJQQQMTVUBOOV-JTHBVZDNSA-N 1 1 433.531 3.691 20 0 IHADMO CSc1nc2ccsc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164801436 721548941 /nfs/dbraw/zinc/54/89/41/721548941.db2.gz FJOXFJMFDYBIHJ-OKZBNKHCSA-N 1 1 427.599 3.676 20 0 IHADMO CSc1nc2ccsc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164801436 721548947 /nfs/dbraw/zinc/54/89/47/721548947.db2.gz FJOXFJMFDYBIHJ-OKZBNKHCSA-N 1 1 427.599 3.676 20 0 IHADMO CSc1nc2ccsc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164801432 721549174 /nfs/dbraw/zinc/54/91/74/721549174.db2.gz FJOXFJMFDYBIHJ-FGTMMUONSA-N 1 1 427.599 3.676 20 0 IHADMO CSc1nc2ccsc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164801432 721549176 /nfs/dbraw/zinc/54/91/76/721549176.db2.gz FJOXFJMFDYBIHJ-FGTMMUONSA-N 1 1 427.599 3.676 20 0 IHADMO Cc1nc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(Cl)c1C ZINC001164808805 721564718 /nfs/dbraw/zinc/56/47/18/721564718.db2.gz VRBJEODTINAYNL-BZSNNMDCSA-N 1 1 437.922 3.555 20 0 IHADMO Cc1nc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(Cl)c1C ZINC001164808805 721564722 /nfs/dbraw/zinc/56/47/22/721564722.db2.gz VRBJEODTINAYNL-BZSNNMDCSA-N 1 1 437.922 3.555 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164801668 721565627 /nfs/dbraw/zinc/56/56/27/721565627.db2.gz HAFGENHIMPJFSH-SXWKCWPCSA-N 1 1 429.524 3.948 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164801668 721565631 /nfs/dbraw/zinc/56/56/31/721565631.db2.gz HAFGENHIMPJFSH-SXWKCWPCSA-N 1 1 429.524 3.948 20 0 IHADMO CCOC(=O)c1cc2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164805826 721566510 /nfs/dbraw/zinc/56/65/10/721566510.db2.gz OZGXFYJQFVIERR-SGNDLWITSA-N 1 1 446.551 3.675 20 0 IHADMO CCOC(=O)c1cc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164805826 721566512 /nfs/dbraw/zinc/56/65/12/721566512.db2.gz OZGXFYJQFVIERR-SGNDLWITSA-N 1 1 446.551 3.675 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808590 721575830 /nfs/dbraw/zinc/57/58/30/721575830.db2.gz VEJOPTLOTOJTQL-CEXWTWQISA-N 1 1 429.996 3.999 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC001164902543 721580697 /nfs/dbraw/zinc/58/06/97/721580697.db2.gz FZACCEXAROENQW-RDGATRHJSA-N 1 1 436.604 3.684 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164800101 721582451 /nfs/dbraw/zinc/58/24/51/721582451.db2.gz BYOXIENVKBLMBI-VAMGGRTRSA-N 1 1 425.483 3.831 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164800101 721582452 /nfs/dbraw/zinc/58/24/52/721582452.db2.gz BYOXIENVKBLMBI-VAMGGRTRSA-N 1 1 425.483 3.831 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(F)cc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164810230 721583100 /nfs/dbraw/zinc/58/31/00/721583100.db2.gz VJRXVVKFIOMMCL-MQSCRBSSSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(F)cc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164810230 721583102 /nfs/dbraw/zinc/58/31/02/721583102.db2.gz VJRXVVKFIOMMCL-MQSCRBSSSA-N 1 1 435.503 3.671 20 0 IHADMO CC(C)c1noc(-c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2)n1 ZINC001164805153 721585082 /nfs/dbraw/zinc/58/50/82/721585082.db2.gz KTRBBUDFOCYVNW-ONTIZHBOSA-N 1 1 434.544 3.518 20 0 IHADMO FC1(F)CCN(c2nnc(Cl)c3cccnc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904351 721705577 /nfs/dbraw/zinc/70/55/77/721705577.db2.gz CBWKETORZFOPMW-HXUWFJFHSA-N 1 1 430.890 3.811 20 0 IHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(CN(C)C(C)C)nnc3C2)nc1 ZINC001165011015 721719813 /nfs/dbraw/zinc/71/98/13/721719813.db2.gz MDIQEQJAVAAQMT-NRFANRHFSA-N 1 1 425.625 3.861 20 0 IHADMO FC1(F)CCN(c2ccnc(N3CCCCC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908643 721723241 /nfs/dbraw/zinc/72/32/41/721723241.db2.gz YIPQMKMRLVQFFI-QFIPXVFZSA-N 1 1 428.531 3.600 20 0 IHADMO C[C@@H]1CCCN(c2cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncn2)C1 ZINC001164913079 721731669 /nfs/dbraw/zinc/73/16/69/721731669.db2.gz SFSRCMSPARMSFT-XXBNENTESA-N 1 1 442.558 3.846 20 0 IHADMO COC(=O)c1cc(Cl)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164908830 721745768 /nfs/dbraw/zinc/74/57/68/721745768.db2.gz LFKKVFBCDUWEIL-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COC(=O)c1cc(Cl)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164908830 721745771 /nfs/dbraw/zinc/74/57/71/721745771.db2.gz LFKKVFBCDUWEIL-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc1 ZINC001165013133 721748895 /nfs/dbraw/zinc/74/88/95/721748895.db2.gz VKFUMZHDJDPPNJ-JOCHJYFZSA-N 1 1 427.637 3.542 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc1 ZINC001165013133 721748896 /nfs/dbraw/zinc/74/88/96/721748896.db2.gz VKFUMZHDJDPPNJ-JOCHJYFZSA-N 1 1 427.637 3.542 20 0 IHADMO COC(=O)c1ccc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)ncc2c1 ZINC001164907762 721748909 /nfs/dbraw/zinc/74/89/09/721748909.db2.gz AIGIHLCSGCSKIK-UHFFFAOYSA-N 1 1 443.507 3.599 20 0 IHADMO COC(=O)c1ccc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)ncc2c1 ZINC001164907762 721748912 /nfs/dbraw/zinc/74/89/12/721748912.db2.gz AIGIHLCSGCSKIK-UHFFFAOYSA-N 1 1 443.507 3.599 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3cc4c(cc31)OCCO4)C2 ZINC001164907987 721749061 /nfs/dbraw/zinc/74/90/61/721749061.db2.gz FREJSXLOEHFYKN-UHFFFAOYSA-N 1 1 443.507 3.584 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3cc4c(cc31)OCCO4)C2 ZINC001164907987 721749065 /nfs/dbraw/zinc/74/90/65/721749065.db2.gz FREJSXLOEHFYKN-UHFFFAOYSA-N 1 1 443.507 3.584 20 0 IHADMO COC(=O)/C=C\c1cc(C)cnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910144 721758866 /nfs/dbraw/zinc/75/88/66/721758866.db2.gz OQALAMWDOLLIEE-SREVYHEPSA-N 1 1 432.524 3.759 20 0 IHADMO COC(=O)/C=C\c1cc(C)cnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910144 721758868 /nfs/dbraw/zinc/75/88/68/721758868.db2.gz OQALAMWDOLLIEE-SREVYHEPSA-N 1 1 432.524 3.759 20 0 IHADMO Cc1nc2c(nc(Cl)nc2N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1C ZINC001164911768 721759806 /nfs/dbraw/zinc/75/98/06/721759806.db2.gz RPQLWDDWWSFHDE-UHFFFAOYSA-N 1 1 437.935 3.508 20 0 IHADMO Cc1nc2c(nc(Cl)nc2N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1C ZINC001164911768 721759811 /nfs/dbraw/zinc/75/98/11/721759811.db2.gz RPQLWDDWWSFHDE-UHFFFAOYSA-N 1 1 437.935 3.508 20 0 IHADMO Fc1cc2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1Cl ZINC001164915748 721799412 /nfs/dbraw/zinc/79/94/12/721799412.db2.gz ZFIJDTDLNYEDFA-HSZRJFAPSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1cc2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1Cl ZINC001164915748 721799414 /nfs/dbraw/zinc/79/94/14/721799414.db2.gz ZFIJDTDLNYEDFA-HSZRJFAPSA-N 1 1 442.922 3.530 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)N3CCCCC3)C[C@@H]21 ZINC001165026603 721802124 /nfs/dbraw/zinc/80/21/24/721802124.db2.gz RKOXILBUFVGOHA-FGCOXFRFSA-N 1 1 433.600 3.840 20 0 IHADMO COC(=O)c1ccc2cnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2c1 ZINC001165028051 721804050 /nfs/dbraw/zinc/80/40/50/721804050.db2.gz XZNZOBVHNHNFNB-XKCSPQBFSA-N 1 1 431.540 3.548 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)n1 ZINC001164915499 721810185 /nfs/dbraw/zinc/81/01/85/721810185.db2.gz BIQBUJOEVIKGST-DBXWQHBBSA-N 1 1 449.020 3.988 20 0 IHADMO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1OCC ZINC001165027298 721811101 /nfs/dbraw/zinc/81/11/01/721811101.db2.gz UAESLACHSSLURF-VLCRHTCISA-N 1 1 438.572 3.789 20 0 IHADMO CSc1nc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2s1 ZINC001165024866 721818814 /nfs/dbraw/zinc/81/88/14/721818814.db2.gz KRWMQHUQNNNATB-USXIJHARSA-N 1 1 426.615 3.940 20 0 IHADMO COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028211 721821308 /nfs/dbraw/zinc/82/13/08/721821308.db2.gz UVSQJMAYGWEYNN-ZVZYQTTQSA-N 1 1 437.922 3.815 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)COc3ccc(Cl)nn3)C[C@H]21 ZINC001165027285 721823889 /nfs/dbraw/zinc/82/38/89/721823889.db2.gz RVLKFVYTXVKETN-CGTJXYLNSA-N 1 1 437.922 3.729 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164922213 721836981 /nfs/dbraw/zinc/83/69/81/721836981.db2.gz GEVOPJFWTIXSSU-RQTOMXEWSA-N 1 1 436.604 3.683 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@H]3C2)nc1 ZINC001164931195 721897717 /nfs/dbraw/zinc/89/77/17/721897717.db2.gz DMPOGXSOIPYFGM-MSNJVRRCSA-N 1 1 440.632 3.919 20 0 IHADMO CCOCc1cnc(Cl)nc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938593 721929834 /nfs/dbraw/zinc/92/98/34/721929834.db2.gz AAJJWRZCAMQKDK-UHFFFAOYSA-N 1 1 430.980 3.846 20 0 IHADMO Cc1cccc2c1nc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943809 721972130 /nfs/dbraw/zinc/97/21/30/721972130.db2.gz FVYWBNKLIOLEBG-UHFFFAOYSA-N 1 1 435.959 3.563 20 0 IHADMO Cc1cccc2c1nc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943809 721972132 /nfs/dbraw/zinc/97/21/32/721972132.db2.gz FVYWBNKLIOLEBG-UHFFFAOYSA-N 1 1 435.959 3.563 20 0 IHADMO Cc1ccc(N2C[C@]3(CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)C3)CC2=O)s1 ZINC001164960108 722044385 /nfs/dbraw/zinc/04/43/85/722044385.db2.gz JCFYQDIQCOGJSM-HSZRJFAPSA-N 1 1 426.586 3.558 20 0 IHADMO Fc1cccc(Oc2cncc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)c1 ZINC001164961677 722058430 /nfs/dbraw/zinc/05/84/30/722058430.db2.gz NYQKICIVCXUKQD-UHFFFAOYSA-N 1 1 449.530 3.922 20 0 IHADMO COC(=O)c1cc2ccccc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164962546 722060344 /nfs/dbraw/zinc/06/03/44/722060344.db2.gz UBBGTSNNNRCQSJ-UHFFFAOYSA-N 1 1 446.551 3.535 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)nc1 ZINC001164966517 722065523 /nfs/dbraw/zinc/06/55/23/722065523.db2.gz VNJRFZVFENHACU-NJYVYQBISA-N 1 1 425.602 3.969 20 0 IHADMO Fc1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981660 722103579 /nfs/dbraw/zinc/10/35/79/722103579.db2.gz LUTLSHCEIPORJU-UZLBHIALSA-N 1 1 427.911 3.545 20 0 IHADMO Fc1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164977173 722104153 /nfs/dbraw/zinc/10/41/53/722104153.db2.gz DVRMVTTUIDYYNC-NVXWUHKLSA-N 1 1 426.870 3.541 20 0 IHADMO Clc1ccc(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164979895 722104160 /nfs/dbraw/zinc/10/41/60/722104160.db2.gz IFWNHMBYHODYKR-REWPJTCUSA-N 1 1 435.959 3.919 20 0 IHADMO CSc1nc2ccsc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975093 722112628 /nfs/dbraw/zinc/11/26/28/722112628.db2.gz JKEXGPQUHTVFFX-SJLPKXTDSA-N 1 1 427.599 3.536 20 0 IHADMO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983292 722129924 /nfs/dbraw/zinc/12/99/24/722129924.db2.gz SXYFWUKLSJIHPV-URXFXBBRSA-N 1 1 446.551 3.534 20 0 IHADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974382 722135057 /nfs/dbraw/zinc/13/50/57/722135057.db2.gz DMCZWNMMXHZSSR-MSOLQXFVSA-N 1 1 447.917 3.884 20 0 IHADMO CC(C)(C)c1noc(-c2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164977068 722135610 /nfs/dbraw/zinc/13/56/10/722135610.db2.gz IKXZNUJXJPVJLF-NHCUHLMSSA-N 1 1 448.571 3.551 20 0 IHADMO Clc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(-c2ccccc2)n1 ZINC001164982273 722146973 /nfs/dbraw/zinc/14/69/73/722146973.db2.gz RLQJBLPANDMYBG-SFTDATJTSA-N 1 1 435.959 3.919 20 0 IHADMO CCOc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984265 722148156 /nfs/dbraw/zinc/14/81/56/722148156.db2.gz XCCXMSMHIBQNFJ-RDGATRHJSA-N 1 1 445.567 3.665 20 0 IHADMO Clc1nc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(C2CC2)n1 ZINC001164972615 722156606 /nfs/dbraw/zinc/15/66/06/722156606.db2.gz IRLRMWHXCWYFCS-IRXDYDNUSA-N 1 1 434.371 3.783 20 0 IHADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc4ccccc4nc2N2CCOCC2)C3)c1 ZINC001164992890 722198812 /nfs/dbraw/zinc/19/88/12/722198812.db2.gz BZZVEOQKHIVZKK-SANMLTNESA-N 1 1 447.558 3.850 20 0 IHADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)[nH]1 ZINC001164994112 722203271 /nfs/dbraw/zinc/20/32/71/722203271.db2.gz GCCFJCUHJJWZJY-QFIPXVFZSA-N 1 1 443.910 3.782 20 0 IHADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)cc(O[C@@H]4CCOC4)n2)C3)c1 ZINC001164995040 722213209 /nfs/dbraw/zinc/21/32/09/722213209.db2.gz FNQMGOXROQDTOI-XMSQKQJNSA-N 1 1 432.927 3.682 20 0 IHADMO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1nc2cc(Br)ccc2[nH]1)C(F)(F)F ZINC001460687096 1126191426 /nfs/dbraw/zinc/19/14/26/1126191426.db2.gz CVNWTENEGADHKU-NVXWUHKLSA-N 1 1 428.252 3.950 20 0 IHADMO CC(C)N1Cc2c(nc(Cl)nc2N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC001164624954 719093783 /nfs/dbraw/zinc/09/37/83/719093783.db2.gz FSPIRSBULLWRIF-IEBWSBKVSA-N 1 1 425.964 3.595 20 0 IHADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164648835 719298425 /nfs/dbraw/zinc/29/84/25/719298425.db2.gz GFBRFWUKKAMJIL-VJBMBRPKSA-N 1 1 431.540 3.688 20 0 IHADMO CCN(C)c1cc[nH+]c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)n1 ZINC001164660525 719345157 /nfs/dbraw/zinc/34/51/57/719345157.db2.gz IEDAUWLZONCHCF-UHFFFAOYSA-N 1 1 431.588 3.627 20 0 IHADMO C[N@H+]1CCO[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164675162 719441259 /nfs/dbraw/zinc/44/12/59/719441259.db2.gz ZHBDJTGACHNTBO-SFTDATJTSA-N 1 1 449.624 3.863 20 0 IHADMO Cc1nc(CN2C(=O)CCC23CCN(c2ccc(C[N@H+](C)C4CC4)cn2)CC3)cs1 ZINC001164684647 719594820 /nfs/dbraw/zinc/59/48/20/719594820.db2.gz IRNYMMIDARFXKQ-UHFFFAOYSA-N 1 1 425.602 3.602 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)CC2 ZINC001164684532 719726588 /nfs/dbraw/zinc/72/65/88/719726588.db2.gz HXVNDVLWACGLFO-UHFFFAOYSA-N 1 1 444.579 3.995 20 0 IHADMO COC(=O)c1cc2ccncc2nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164694477 719809824 /nfs/dbraw/zinc/80/98/24/719809824.db2.gz YOXQZRFWVCUCST-UHFFFAOYSA-N 1 1 437.569 3.816 20 0 IHADMO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692657 719811963 /nfs/dbraw/zinc/81/19/63/719811963.db2.gz QUAUAPQUVNOZLV-WAYWQWQTSA-N 1 1 426.586 3.976 20 0 IHADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)CC3)cs1 ZINC001164700140 719817112 /nfs/dbraw/zinc/81/71/12/719817112.db2.gz ISZBOMOBRZJXDQ-UHFFFAOYSA-N 1 1 428.936 3.918 20 0 IHADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)CC3)cs1 ZINC001164700140 719817113 /nfs/dbraw/zinc/81/71/13/719817113.db2.gz ISZBOMOBRZJXDQ-UHFFFAOYSA-N 1 1 428.936 3.918 20 0 IHADMO CSc1nc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2s1 ZINC001164699293 719895278 /nfs/dbraw/zinc/89/52/78/719895278.db2.gz ZGGZNVUYWNEUNV-UHFFFAOYSA-N 1 1 433.628 3.741 20 0 IHADMO COc1cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(Cl)n1 ZINC001164707286 719910487 /nfs/dbraw/zinc/91/04/87/719910487.db2.gz OKVINLGZXFBVMI-UHFFFAOYSA-N 1 1 444.935 3.616 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164809227 720076791 /nfs/dbraw/zinc/07/67/91/720076791.db2.gz IYVPMDCHXNIKQY-KDOFPFPSSA-N 1 1 432.968 3.582 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ncccc31)CC2 ZINC001164713011 720102615 /nfs/dbraw/zinc/10/26/15/720102615.db2.gz ZWPWRVWLFZFTRT-SFHVURJKSA-N 1 1 438.963 3.581 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cnccc31)CC2 ZINC001164719466 720108458 /nfs/dbraw/zinc/10/84/58/720108458.db2.gz XKBMEKSUKZBURM-GOSISDBHSA-N 1 1 438.963 3.581 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164715509 720108476 /nfs/dbraw/zinc/10/84/76/720108476.db2.gz GRSOBGXCTNSZFE-QGZVFWFLSA-N 1 1 446.020 3.779 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3ccc(OC)cc3n1)CC2 ZINC001164714263 720109522 /nfs/dbraw/zinc/10/95/22/720109522.db2.gz BHOQOLWLBVRLHZ-NRFANRHFSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001164809086 720133153 /nfs/dbraw/zinc/13/31/53/720133153.db2.gz GSJNRROOGXRAMP-HXOBKFHXSA-N 1 1 435.996 3.875 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001164809087 720133735 /nfs/dbraw/zinc/13/37/35/720133735.db2.gz GSJNRROOGXRAMP-SBUREZEXSA-N 1 1 435.996 3.875 20 0 IHADMO CCCSc1cncc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714793 720147781 /nfs/dbraw/zinc/14/77/81/720147781.db2.gz ZEVBQTLRISCYOZ-HXUWFJFHSA-N 1 1 427.618 3.881 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(C)o3)nn1)CC2 ZINC001164713960 720148565 /nfs/dbraw/zinc/14/85/65/720148565.db2.gz UKXOXJOQTVEHLQ-OAQYLSRUSA-N 1 1 433.556 3.948 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164817111 720149341 /nfs/dbraw/zinc/14/93/41/720149341.db2.gz OAKSETJFAMRIRG-GBXCKJPGSA-N 1 1 426.992 3.906 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164818382 720154086 /nfs/dbraw/zinc/15/40/86/720154086.db2.gz SLNIGSINRMCRIT-KSSFIOAISA-N 1 1 435.346 3.599 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1N1CCCCC1)C2 ZINC001164813065 720161067 /nfs/dbraw/zinc/16/10/67/720161067.db2.gz 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IHADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164734779 720452674 /nfs/dbraw/zinc/45/26/74/720452674.db2.gz UIHHAANQBGEIEW-ROUUACIJSA-N 1 1 442.901 3.985 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)Oc3cccc(Cl)n3)CC[C@@H]21 ZINC001164837931 720525266 /nfs/dbraw/zinc/52/52/66/720525266.db2.gz QQJSWUSABSRNDZ-ULQDDVLXSA-N 1 1 425.911 3.734 20 0 IHADMO CSc1nc2ccsc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834636 720536606 /nfs/dbraw/zinc/53/66/06/720536606.db2.gz FKMOLOUJGYPXIS-SOLBZPMBSA-N 1 1 428.631 3.988 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)CC[C@@H]21 ZINC001164841433 720537588 /nfs/dbraw/zinc/53/75/88/720537588.db2.gz VTOHYNSLPMQXEP-ZVZYQTTQSA-N 1 1 427.902 3.993 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C(=O)Nc4ccccc4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842547 720548249 /nfs/dbraw/zinc/54/82/49/720548249.db2.gz YCSWATPUQGIAKR-YFNKSVMNSA-N 1 1 444.583 3.908 20 0 IHADMO 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COc1cc2c(cc1F)cc(Cl)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871384 721198345 /nfs/dbraw/zinc/19/83/45/721198345.db2.gz YVUUBVXTSZTSEF-QZTJIDSGSA-N 1 1 442.922 3.911 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C[C@H]3C2)cn1 ZINC001164767762 721205773 /nfs/dbraw/zinc/20/57/73/721205773.db2.gz KMMKRKMKZVYRHE-HZPDHXFCSA-N 1 1 448.905 3.627 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)Oc4ccc(Cl)nc4Cl)C[C@@H]3C2)cn1 ZINC001164766192 721237250 /nfs/dbraw/zinc/23/72/50/721237250.db2.gz SUYMZBPSABQKPH-KBPBESRZSA-N 1 1 432.302 3.505 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@H]32)n1 ZINC001164872671 721249539 /nfs/dbraw/zinc/24/95/39/721249539.db2.gz FAIUCZWQZAUSHE-NJYVYQBISA-N 1 1 428.964 3.931 20 0 IHADMO CSc1ncc(Cl)c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777651 721339100 /nfs/dbraw/zinc/33/91/00/721339100.db2.gz OYLVPPUYNYNWIP-HXUWFJFHSA-N 1 1 437.997 3.576 20 0 IHADMO CSc1ncc(Cl)c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777651 721339102 /nfs/dbraw/zinc/33/91/02/721339102.db2.gz OYLVPPUYNYNWIP-HXUWFJFHSA-N 1 1 437.997 3.576 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C4CC4)n3)C2)C1 ZINC001164777680 721351840 /nfs/dbraw/zinc/35/18/40/721351840.db2.gz HNYNIPRJLCATLU-JOCHJYFZSA-N 1 1 431.968 3.731 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C4CC4)n3)C2)C1 ZINC001164777680 721351843 /nfs/dbraw/zinc/35/18/43/721351843.db2.gz HNYNIPRJLCATLU-JOCHJYFZSA-N 1 1 431.968 3.731 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(-c4ccccc4)cn3)C2)C1 ZINC001164787111 721366237 /nfs/dbraw/zinc/36/62/37/721366237.db2.gz ZGFJHJZNIHOVFK-RUZDIDTESA-N 1 1 433.556 3.867 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cnc(-c4ccccc4)cn3)C2)C1 ZINC001164787111 721366239 /nfs/dbraw/zinc/36/62/39/721366239.db2.gz ZGFJHJZNIHOVFK-RUZDIDTESA-N 1 1 433.556 3.867 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCC(=O)N3c2cccc(F)c2)nc1 ZINC001164881242 721366914 /nfs/dbraw/zinc/36/69/14/721366914.db2.gz ANBFDFGZJAHOPL-ZLNRFVROSA-N 1 1 438.547 3.778 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccco4)n3)C2)C1 ZINC001164783047 721369497 /nfs/dbraw/zinc/36/94/97/721369497.db2.gz OZHATUSACCFRPF-DEOSSOPVSA-N 1 1 437.544 3.769 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccco4)n3)C2)C1 ZINC001164783047 721369500 /nfs/dbraw/zinc/36/95/00/721369500.db2.gz OZHATUSACCFRPF-DEOSSOPVSA-N 1 1 437.544 3.769 20 0 IHADMO CCc1nc2sccc2c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164787005 721372306 /nfs/dbraw/zinc/37/23/06/721372306.db2.gz WUCSUBYIIHDXGI-QHCPKHFHSA-N 1 1 441.601 3.978 20 0 IHADMO CCc1nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(Cl)nc1C ZINC001164784575 721376135 /nfs/dbraw/zinc/37/61/35/721376135.db2.gz QJGAYBQDTVCCNT-JOCHJYFZSA-N 1 1 433.984 3.725 20 0 IHADMO CCc1nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(Cl)nc1C ZINC001164784575 721376143 /nfs/dbraw/zinc/37/61/43/721376143.db2.gz QJGAYBQDTVCCNT-JOCHJYFZSA-N 1 1 433.984 3.725 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C3)O2)CC1 ZINC001164890954 721410222 /nfs/dbraw/zinc/41/02/22/721410222.db2.gz UTEMSNVJSINWCM-DNVCBOLYSA-N 1 1 449.373 3.699 20 0 IHADMO Fc1ccc(Cn2ccc3c2ncnc3N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164783250 721413901 /nfs/dbraw/zinc/41/39/01/721413901.db2.gz HPVKUKKCKQNHMM-QZTJIDSGSA-N 1 1 434.544 3.643 20 0 IHADMO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1C ZINC001164780822 721425225 /nfs/dbraw/zinc/42/52/25/721425225.db2.gz AHQAFUQFIVHGCK-GJZGRUSLSA-N 1 1 443.598 3.510 20 0 IHADMO COc1ccc(Cc2c(C)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2C)cc1 ZINC001164782705 721434793 /nfs/dbraw/zinc/43/47/93/721434793.db2.gz HKLIZNDOKXIMAQ-BGYRXZFFSA-N 1 1 435.597 3.718 20 0 IHADMO COc1ccc(Cc2c(C)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2C)cc1 ZINC001164782705 721434795 /nfs/dbraw/zinc/43/47/95/721434795.db2.gz HKLIZNDOKXIMAQ-BGYRXZFFSA-N 1 1 435.597 3.718 20 0 IHADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cc1 ZINC001164788906 721437627 /nfs/dbraw/zinc/43/76/27/721437627.db2.gz UESZFGUKZQDNRY-GJZGRUSLSA-N 1 1 443.960 3.956 20 0 IHADMO CC(C)c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164895756 721441433 /nfs/dbraw/zinc/44/14/33/721441433.db2.gz PGPYQYHZGMLIEI-CJFMBICVSA-N 1 1 429.653 3.663 20 0 IHADMO CC(C)c1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164895757 721441532 /nfs/dbraw/zinc/44/15/32/721441532.db2.gz PGPYQYHZGMLIEI-CPJSRVTESA-N 1 1 429.653 3.663 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c(F)cccc45)C3)O2)CC1 ZINC001164884943 721450541 /nfs/dbraw/zinc/45/05/41/721450541.db2.gz CXIVXWQBRNCJDR-GAJHUEQPSA-N 1 1 432.971 3.793 20 0 IHADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164886469 721454109 /nfs/dbraw/zinc/45/41/09/721454109.db2.gz GRHRCXWITMVOAM-HYBUGGRVSA-N 1 1 445.007 3.662 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164787527 721461827 /nfs/dbraw/zinc/46/18/27/721461827.db2.gz RFBWWBZOQNRNRJ-LJQANCHMSA-N 1 1 432.996 3.902 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(C(C)(C)C)n1)CC2 ZINC001164789921 721468693 /nfs/dbraw/zinc/46/86/93/721468693.db2.gz PDKQYWCTYOTAAB-OAQYLSRUSA-N 1 1 430.637 3.816 20 0 IHADMO CCCSc1cncc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789235 721468718 /nfs/dbraw/zinc/46/87/18/721468718.db2.gz LYQYZKWUVYBKFT-HXUWFJFHSA-N 1 1 434.650 3.713 20 0 IHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001164795487 721499368 /nfs/dbraw/zinc/49/93/68/721499368.db2.gz IVTIHGYYMKOXNQ-UHFFFAOYSA-N 1 1 449.933 3.655 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)nc4Cl)CC[N@H+]3C2)c1 ZINC001164899964 721511443 /nfs/dbraw/zinc/51/14/43/721511443.db2.gz MPCCEXYVUOQFCA-OCCSQVGLSA-N 1 1 433.261 3.809 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)ncc4Cl)CC[N@H+]3C2)c1 ZINC001164897657 721522044 /nfs/dbraw/zinc/52/20/44/721522044.db2.gz GEAABIIWZHZQPU-OCCSQVGLSA-N 1 1 433.261 3.809 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3[nH]cc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164794282 721526664 /nfs/dbraw/zinc/52/66/64/721526664.db2.gz BDDDWGXSVXJFMB-UXLLHSPISA-N 1 1 433.343 3.528 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3[nH]cc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164794282 721526667 /nfs/dbraw/zinc/52/66/67/721526667.db2.gz BDDDWGXSVXJFMB-UXLLHSPISA-N 1 1 433.343 3.528 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2F)[C@@H]2CCCO[C@@H]12 ZINC001164806597 721529056 /nfs/dbraw/zinc/52/90/56/721529056.db2.gz OXXYASNTDYRWNB-JFIYKMOQSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2F)[C@@H]2CCCO[C@@H]12 ZINC001164806597 721529058 /nfs/dbraw/zinc/52/90/58/721529058.db2.gz OXXYASNTDYRWNB-JFIYKMOQSA-N 1 1 426.870 3.682 20 0 IHADMO O=C(Nc1ccccc1)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906724 721535975 /nfs/dbraw/zinc/53/59/75/721535975.db2.gz LCIJLIMRIGRMQF-GMAHTHKFSA-N 1 1 432.499 3.815 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4ccn5Cc4ccccc4)CC[N@H+]3C2)c1 ZINC001164902536 721539244 /nfs/dbraw/zinc/53/92/44/721539244.db2.gz AFHUVPGZDASEFY-JTHBVZDNSA-N 1 1 443.526 3.961 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ncc2Cl)[C@H]2CCCO[C@H]12 ZINC001164799899 721540295 /nfs/dbraw/zinc/54/02/95/721540295.db2.gz BRJRCBAZQULULG-XHSDSOJGSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ncc2Cl)[C@H]2CCCO[C@H]12 ZINC001164799899 721540300 /nfs/dbraw/zinc/54/03/00/721540300.db2.gz BRJRCBAZQULULG-XHSDSOJGSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(F)cccc32)[C@H]2CCCO[C@H]12 ZINC001164807191 721548992 /nfs/dbraw/zinc/54/89/92/721548992.db2.gz PZVFAKQIERIUOQ-NSHGMRRFSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(F)cccc32)[C@H]2CCCO[C@H]12 ZINC001164807191 721548997 /nfs/dbraw/zinc/54/89/97/721548997.db2.gz PZVFAKQIERIUOQ-NSHGMRRFSA-N 1 1 427.911 3.686 20 0 IHADMO COc1cc2c(cc1Cl)ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807336 721555593 /nfs/dbraw/zinc/55/55/93/721555593.db2.gz SSBOIFLELHOAHW-URVUXULASA-N 1 1 439.947 3.555 20 0 IHADMO COc1cc2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2cc1OC ZINC001164809927 721558012 /nfs/dbraw/zinc/55/80/12/721558012.db2.gz YHGIEGKZXKFDJO-HFMPRLQTSA-N 1 1 434.540 3.515 20 0 IHADMO COc1cccc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c21 ZINC001164807370 721558934 /nfs/dbraw/zinc/55/89/34/721558934.db2.gz SVLXUGNUEBYHPW-LVCYWYKZSA-N 1 1 439.947 3.555 20 0 IHADMO COc1cccc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c21 ZINC001164807370 721558936 /nfs/dbraw/zinc/55/89/36/721558936.db2.gz SVLXUGNUEBYHPW-LVCYWYKZSA-N 1 1 439.947 3.555 20 0 IHADMO COc1ccc2nc(Cl)cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2n1 ZINC001164808026 721559534 /nfs/dbraw/zinc/55/95/34/721559534.db2.gz ULFGYNVBKLEFCS-WCAVRKLYSA-N 1 1 439.947 3.555 20 0 IHADMO Cc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164909657 721563270 /nfs/dbraw/zinc/56/32/70/721563270.db2.gz UMYZEWLWPUQJDP-UYAOXDASSA-N 1 1 439.922 3.981 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cc3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164804688 721569909 /nfs/dbraw/zinc/56/99/09/721569909.db2.gz MEXUUBJNKGGGEI-AKFKNWHVSA-N 1 1 449.986 3.984 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cc3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164804688 721569913 /nfs/dbraw/zinc/56/99/13/721569913.db2.gz MEXUUBJNKGGGEI-AKFKNWHVSA-N 1 1 449.986 3.984 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)-c2ccccc2CC3)[C@H]2CCCO[C@@H]12 ZINC001164803122 721571047 /nfs/dbraw/zinc/57/10/47/721571047.db2.gz JONUPZLIIWBQNJ-JBRSBNLGSA-N 1 1 427.552 3.505 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)-c2ccccc2CC3)[C@H]2CCCO[C@@H]12 ZINC001164803122 721571048 /nfs/dbraw/zinc/57/10/48/721571048.db2.gz JONUPZLIIWBQNJ-JBRSBNLGSA-N 1 1 427.552 3.505 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)nccc32)[C@@H]2CCCO[C@H]12 ZINC001164808759 721574766 /nfs/dbraw/zinc/57/47/66/721574766.db2.gz VNUAUMZRLHFNES-NUJGCVRESA-N 1 1 445.354 3.595 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)nccc32)[C@@H]2CCCO[C@H]12 ZINC001164808759 721574768 /nfs/dbraw/zinc/57/47/68/721574768.db2.gz VNUAUMZRLHFNES-NUJGCVRESA-N 1 1 445.354 3.595 20 0 IHADMO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1NCC1CC1 ZINC001164904414 721583047 /nfs/dbraw/zinc/58/30/47/721583047.db2.gz QBVLAGIBHAEYLF-JOCHJYFZSA-N 1 1 428.531 3.740 20 0 IHADMO FC1(F)CCN(c2nc(Cl)nc3ncsc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908288 721705664 /nfs/dbraw/zinc/70/56/64/721705664.db2.gz WXHWCEIPUBCLTK-SFHVURJKSA-N 1 1 436.919 3.872 20 0 IHADMO CCOCc1cnc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906510 721720326 /nfs/dbraw/zinc/72/03/26/721720326.db2.gz MMFZSCQTDFHINR-HXUWFJFHSA-N 1 1 437.922 3.799 20 0 IHADMO Cc1noc(-c2cccnc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164913964 721725438 /nfs/dbraw/zinc/72/54/38/721725438.db2.gz ZRYZITVLWWHDBC-OAQYLSRUSA-N 1 1 426.471 3.573 20 0 IHADMO Cc1nc(-c2ccncc2)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912282 721729417 /nfs/dbraw/zinc/72/94/17/721729417.db2.gz NQVDPOHUVBOUSV-QHCPKHFHSA-N 1 1 436.510 3.980 20 0 IHADMO COC(=O)c1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(Cl)c1 ZINC001164911218 721743024 /nfs/dbraw/zinc/74/30/24/721743024.db2.gz IRLWSSYBRGZSCF-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COC(=O)c1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(Cl)c1 ZINC001164911218 721743028 /nfs/dbraw/zinc/74/30/28/721743028.db2.gz IRLWSSYBRGZSCF-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COc1cc2ncc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc2cc1OC ZINC001164911764 721753644 /nfs/dbraw/zinc/75/36/44/721753644.db2.gz YZLHHAIBUCLKHK-UHFFFAOYSA-N 1 1 445.523 3.830 20 0 IHADMO COc1cc2ncc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc2cc1OC ZINC001164911764 721753648 /nfs/dbraw/zinc/75/36/48/721753648.db2.gz YZLHHAIBUCLKHK-UHFFFAOYSA-N 1 1 445.523 3.830 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(NC(=O)C(C)(C)C)nn1)C2 ZINC001164911512 721754291 /nfs/dbraw/zinc/75/42/91/721754291.db2.gz WKOOJCNOQBFCRI-UHFFFAOYSA-N 1 1 434.544 3.644 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(NC(=O)C(C)(C)C)nn1)C2 ZINC001164911512 721754297 /nfs/dbraw/zinc/75/42/97/721754297.db2.gz WKOOJCNOQBFCRI-UHFFFAOYSA-N 1 1 434.544 3.644 20 0 IHADMO CCOC(=O)/C=C/c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164908968 721758250 /nfs/dbraw/zinc/75/82/50/721758250.db2.gz ANWNFEXHPKBUHA-VQHVLOKHSA-N 1 1 432.524 3.841 20 0 IHADMO CCOC(=O)/C=C/c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164908968 721758257 /nfs/dbraw/zinc/75/82/57/721758257.db2.gz ANWNFEXHPKBUHA-VQHVLOKHSA-N 1 1 432.524 3.841 20 0 IHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](OCC3CC3)[C@@H]3COC[C@@H]32)n1 ZINC001165014957 721763508 /nfs/dbraw/zinc/76/35/08/721763508.db2.gz KEWAQQXJVHSWFE-QYZOEREBSA-N 1 1 430.618 3.780 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCCCn2cccn2)nc1 ZINC001165021760 721782638 /nfs/dbraw/zinc/78/26/38/721782638.db2.gz PKASFGICLMDLHR-AHCIIZGASA-N 1 1 439.604 3.668 20 0 IHADMO CCOC(=O)c1cnc(SC)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026913 721800331 /nfs/dbraw/zinc/80/03/31/721800331.db2.gz SIJDEKKHWDCRCV-FFZOFVMBSA-N 1 1 441.601 3.507 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4cc5c(cc43)OCCO5)C[C@@H]21 ZINC001165019531 721804709 /nfs/dbraw/zinc/80/47/09/721804709.db2.gz CRLXXKUPBFSHKN-PIPMEXSNSA-N 1 1 431.540 3.533 20 0 IHADMO CCOC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165027126 721812315 /nfs/dbraw/zinc/81/23/15/721812315.db2.gz SJPPZPLNJQGLMK-KWOQKUFVSA-N 1 1 445.567 3.938 20 0 IHADMO COc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025977 721816712 /nfs/dbraw/zinc/81/67/12/721816712.db2.gz ORAZWHWDEXMTDF-ILWGZMRPSA-N 1 1 430.556 3.679 20 0 IHADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]c-2n1 ZINC001165021659 721818350 /nfs/dbraw/zinc/81/83/50/721818350.db2.gz FUJMDRBWVPEEQT-CZTZKLFOSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2[nH]1 ZINC001165021659 721818353 /nfs/dbraw/zinc/81/83/53/721818353.db2.gz FUJMDRBWVPEEQT-CZTZKLFOSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2[nH]1 ZINC001165021659 721818356 /nfs/dbraw/zinc/81/83/56/721818356.db2.gz FUJMDRBWVPEEQT-CZTZKLFOSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cnc2cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]cc1-2 ZINC001165027310 721821971 /nfs/dbraw/zinc/82/19/71/721821971.db2.gz RWVMDHGLKIFJSY-AMHTUMDSSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cnc2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]cc1-2 ZINC001165027310 721821973 /nfs/dbraw/zinc/82/19/73/721821973.db2.gz RWVMDHGLKIFJSY-AMHTUMDSSA-N 1 1 433.556 3.872 20 0 IHADMO COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165019901 721831285 /nfs/dbraw/zinc/83/12/85/721831285.db2.gz CKPGAFDPBXUMNQ-LESCRADOSA-N 1 1 437.922 3.815 20 0 IHADMO COc1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(Cl)n1 ZINC001165029694 721831949 /nfs/dbraw/zinc/83/19/49/721831949.db2.gz XMRZVHKHMRNPNC-BHYGNILZSA-N 1 1 437.922 3.815 20 0 IHADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164929203 721878100 /nfs/dbraw/zinc/87/81/00/721878100.db2.gz AMEQEHKKJYYVLV-WOJBJXKFSA-N 1 1 448.640 3.847 20 0 IHADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164929203 721878103 /nfs/dbraw/zinc/87/81/03/721878103.db2.gz AMEQEHKKJYYVLV-WOJBJXKFSA-N 1 1 448.640 3.847 20 0 IHADMO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164937638 721921249 /nfs/dbraw/zinc/92/12/49/721921249.db2.gz FQTLQUIEVCPBBR-KHPPLWFESA-N 1 1 435.568 3.838 20 0 IHADMO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940155 721928332 /nfs/dbraw/zinc/92/83/32/721928332.db2.gz QSEGZZLUIJYPFV-PKNBQFBNSA-N 1 1 435.568 3.838 20 0 IHADMO COC(OC)c1cc(C)cnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939459 721929605 /nfs/dbraw/zinc/92/96/05/721929605.db2.gz LOQCZOJUHOOART-UHFFFAOYSA-N 1 1 425.573 3.861 20 0 IHADMO CN1CCc2nc(Cl)nc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)c2C1 ZINC001165043747 721939769 /nfs/dbraw/zinc/93/97/69/721939769.db2.gz FIJJOHMJNDQUHL-UHFFFAOYSA-N 1 1 429.355 3.646 20 0 IHADMO c1ccc(OCC[NH+]2CCN(c3ccc(-c4ccc5c(c4)OCCCO5)nn3)CC2)cc1 ZINC001165044739 721960929 /nfs/dbraw/zinc/96/09/29/721960929.db2.gz NOMAHWOJUUACPE-UHFFFAOYSA-N 1 1 432.524 3.506 20 0 IHADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2)C1 ZINC001164955654 722021586 /nfs/dbraw/zinc/02/15/86/722021586.db2.gz MCVZFRXUQCACRE-OAQYLSRUSA-N 1 1 433.600 3.841 20 0 IHADMO Clc1nc2c(c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n1)CCCC2 ZINC001164958130 722053963 /nfs/dbraw/zinc/05/39/63/722053963.db2.gz CZGSWUCVKCCBIQ-UHFFFAOYSA-N 1 1 427.980 3.523 20 0 IHADMO Clc1nnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c2c1CCCC2 ZINC001164964554 722055326 /nfs/dbraw/zinc/05/53/26/722055326.db2.gz VLBWHSGJSAGICF-UHFFFAOYSA-N 1 1 427.980 3.523 20 0 IHADMO c1cc(C[N@H+]2CCOCC3(CCN(c4ncnc5sc6c(c54)CCC6)CC3)C2)ccn1 ZINC001164961575 722059475 /nfs/dbraw/zinc/05/94/75/722059475.db2.gz MAPYOTFVPYPISD-UHFFFAOYSA-N 1 1 435.597 3.694 20 0 IHADMO O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164963649 722064399 /nfs/dbraw/zinc/06/43/99/722064399.db2.gz BVMWIXMQTGKHOE-XZOQPEGZSA-N 1 1 445.592 3.590 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164971876 722109106 /nfs/dbraw/zinc/10/91/06/722109106.db2.gz CYMONOMHBXRMTI-SJLPKXTDSA-N 1 1 429.977 3.775 20 0 IHADMO Clc1ccc2[nH]c3ncnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c3c2c1 ZINC001164976979 722136428 /nfs/dbraw/zinc/13/64/28/722136428.db2.gz HMJZJZOPCKHAFF-DYESRHJHSA-N 1 1 448.958 3.887 20 0 IHADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977970 722136913 /nfs/dbraw/zinc/13/69/13/722136913.db2.gz IYFICSFXAGTSBC-QUCCMNQESA-N 1 1 440.979 3.788 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977015 722139748 /nfs/dbraw/zinc/13/97/48/722139748.db2.gz HNLZJEPFTVWVPC-RTBURBONSA-N 1 1 429.996 3.858 20 0 IHADMO CCc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164977092 722147321 /nfs/dbraw/zinc/14/73/21/722147321.db2.gz IROJPPLRCFYWOQ-NOZRDPDXSA-N 1 1 429.568 3.828 20 0 IHADMO c1ccc(SCc2nccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164973257 722154491 /nfs/dbraw/zinc/15/44/91/722154491.db2.gz LWFDRKBMLPVZPH-GGAORHGYSA-N 1 1 447.608 3.891 20 0 IHADMO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972739 722154996 /nfs/dbraw/zinc/15/49/96/722154996.db2.gz JEDDDJXGLRNSTA-WOJBJXKFSA-N 1 1 427.980 3.828 20 0 IHADMO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975298 722158785 /nfs/dbraw/zinc/15/87/85/722158785.db2.gz RPQGSBXPHICOFZ-UWJYYQICSA-N 1 1 448.945 3.891 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](OCCOC)[C@@H]2Cc2cnn(C)c2)nc1 ZINC001164998742 722225063 /nfs/dbraw/zinc/22/50/63/722225063.db2.gz FECIZPKDHOXPBN-TZRRMPRUSA-N 1 1 441.620 3.605 20 0 IHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)ccc2-c2ccccc2)CC3)CC1 ZINC001164997586 722233297 /nfs/dbraw/zinc/23/32/97/722233297.db2.gz RFJUVLUUDXZGEM-UHFFFAOYSA-N 1 1 434.975 3.549 20 0 IHADMO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1nc2cc(Br)ccc2[nH]1)C(F)(F)F ZINC001460687104 1126191410 /nfs/dbraw/zinc/19/14/10/1126191410.db2.gz CVNWTENEGADHKU-RDJZCZTQSA-N 1 1 428.252 3.950 20 0 IHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5[C@@H](C4)OCC5(F)F)c32)C1 ZINC001164424118 718929830 /nfs/dbraw/zinc/92/98/30/718929830.db2.gz LMDLNPIKMCFLRP-FVQBIDKESA-N 1 1 434.556 3.882 20 0 IHADMO Clc1nnc(Cl)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1N1CCOCC1 ZINC001164627437 719113993 /nfs/dbraw/zinc/11/39/93/719113993.db2.gz KLKOCBPGJFKXNA-ROUUACIJSA-N 1 1 448.398 3.721 20 0 IHADMO C[C@@H]1CN([C@@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)[C@@H](C)C[N@H+]1C ZINC001164638776 719214263 /nfs/dbraw/zinc/21/42/63/719214263.db2.gz PDOZKALOKTVBIJ-WIEQDCTASA-N 1 1 438.378 3.946 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)CC2 ZINC001164648378 719312248 /nfs/dbraw/zinc/31/22/48/719312248.db2.gz JPOZLZRDORYREO-UHFFFAOYSA-N 1 1 433.000 3.665 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164648998 719313096 /nfs/dbraw/zinc/31/30/96/719313096.db2.gz NMNKFPCHGOYFJW-UHFFFAOYSA-N 1 1 445.930 3.858 20 0 IHADMO CCN(CC)C(=O)c1nc2c(s1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164664923 719359441 /nfs/dbraw/zinc/35/94/41/719359441.db2.gz SILGWVWTBDOZMG-UHFFFAOYSA-N 1 1 448.036 3.875 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)CC2 ZINC001164690219 719740156 /nfs/dbraw/zinc/74/01/56/719740156.db2.gz VPITXCJFBYYNCI-UHFFFAOYSA-N 1 1 433.531 3.617 20 0 IHADMO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164694448 719805304 /nfs/dbraw/zinc/80/53/04/719805304.db2.gz YTGPQTDRUQKAMY-UHFFFAOYSA-N 1 1 437.569 3.816 20 0 IHADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)Oc2cnc(Cl)cn2)CC3)cs1 ZINC001164702132 719817226 /nfs/dbraw/zinc/81/72/26/719817226.db2.gz QUSUPGCDGKTOSI-UHFFFAOYSA-N 1 1 429.924 3.955 20 0 IHADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)Oc2cnc(Cl)cn2)CC3)cs1 ZINC001164702132 719817227 /nfs/dbraw/zinc/81/72/27/719817227.db2.gz QUSUPGCDGKTOSI-UHFFFAOYSA-N 1 1 429.924 3.955 20 0 IHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc2ccccc21 ZINC001164701988 719850265 /nfs/dbraw/zinc/85/02/65/719850265.db2.gz MJHVJEKSSGSKQF-FQRUVTKNSA-N 1 1 446.551 3.530 20 0 IHADMO Cc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164694951 719888217 /nfs/dbraw/zinc/88/82/17/719888217.db2.gz IDNBWSYVYDAEEH-UHFFFAOYSA-N 1 1 428.936 3.916 20 0 IHADMO CC(C)(C)NC(=O)c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164696264 719896441 /nfs/dbraw/zinc/89/64/41/719896441.db2.gz DWYWZKLDPLBADX-UHFFFAOYSA-N 1 1 428.602 3.543 20 0 IHADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@@H]2CCCO[C@H]12 ZINC001164710358 720063425 /nfs/dbraw/zinc/06/34/25/720063425.db2.gz FDGQBRNSDCPKNC-HMFYCAOWSA-N 1 1 442.629 3.939 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3cc(OC)ccc3n1)CC2 ZINC001164715495 720121479 /nfs/dbraw/zinc/12/14/79/720121479.db2.gz GKKFCUVSULLEER-OAQYLSRUSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816432 720124966 /nfs/dbraw/zinc/12/49/66/720124966.db2.gz YSYHSMCSAXKBPB-LVXARBLLSA-N 1 1 449.574 3.803 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3C(C)C)CC2 ZINC001164714126 720136564 /nfs/dbraw/zinc/13/65/64/720136564.db2.gz WIHZKEMZFVGGTN-NRFANRHFSA-N 1 1 434.588 3.915 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)OC(C)C)CC2 ZINC001164711755 720153552 /nfs/dbraw/zinc/15/35/52/720153552.db2.gz JSHACBZPFKBTIN-OAQYLSRUSA-N 1 1 438.572 3.549 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164712369 720155818 /nfs/dbraw/zinc/15/58/18/720155818.db2.gz FZAXRWOIUWIEAQ-LJQANCHMSA-N 1 1 442.007 3.911 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)C2 ZINC001164816261 720156202 /nfs/dbraw/zinc/15/62/02/720156202.db2.gz KNISMUBISJGAEE-HJPURHCSSA-N 1 1 425.964 3.949 20 0 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COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@H]2C1 ZINC001164859936 720872911 /nfs/dbraw/zinc/87/29/11/720872911.db2.gz NFKQGEFHVBBVFC-SMDDNHRTSA-N 1 1 444.737 3.760 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(F)cc4)c4ccccc43)CC[C@H]2C1 ZINC001164854360 720876223 /nfs/dbraw/zinc/87/62/23/720876223.db2.gz DYXJBDSDKROYTL-CVDCTZTESA-N 1 1 436.531 3.609 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@@H]2C1 ZINC001164863682 720883438 /nfs/dbraw/zinc/88/34/38/720883438.db2.gz TZPQNJHXBRBMQL-VQIMIIECSA-N 1 1 425.907 3.607 20 0 IHADMO Fc1ccc2ncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164753284 720885405 /nfs/dbraw/zinc/88/54/05/720885405.db2.gz GIIDMXYSGIPZDX-RLWLMLJZSA-N 1 1 447.558 3.919 20 0 IHADMO Cc1nc(C)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)n1 ZINC001164749476 720885726 /nfs/dbraw/zinc/88/57/26/720885726.db2.gz ACJDCWOARVBPSI-URXFXBBRSA-N 1 1 442.007 3.897 20 0 IHADMO Fc1cccc2c1ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749914 720886027 /nfs/dbraw/zinc/88/60/27/720886027.db2.gz AWFKITNKFAOALG-RLWLMLJZSA-N 1 1 447.558 3.919 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@H]2C1 ZINC001164856961 720893129 /nfs/dbraw/zinc/89/31/29/720893129.db2.gz ITRYCFHRHOZFSJ-JXFKEZNVSA-N 1 1 443.966 3.722 20 0 IHADMO Fc1ccc2cnnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755586 720893361 /nfs/dbraw/zinc/89/33/61/720893361.db2.gz MATVFZBOIQMKDT-ATIYNZHBSA-N 1 1 447.558 3.919 20 0 IHADMO Fc1ccc2cnnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755588 720893484 /nfs/dbraw/zinc/89/34/84/720893484.db2.gz MATVFZBOIQMKDT-BKMJKUGQSA-N 1 1 447.558 3.919 20 0 IHADMO CCCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)n1 ZINC001164756854 720897405 /nfs/dbraw/zinc/89/74/05/720897405.db2.gz RQJAXMKQFKKOTB-ZEQKJWHPSA-N 1 1 435.616 3.888 20 0 IHADMO Nc1cc(F)c(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751772 720899896 /nfs/dbraw/zinc/89/98/96/720899896.db2.gz DMDFEFYUSBSJGZ-MBSDFSHPSA-N 1 1 445.970 3.606 20 0 IHADMO Nc1cc(F)c(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751770 720900500 /nfs/dbraw/zinc/90/05/00/720900500.db2.gz DMDFEFYUSBSJGZ-JPYJTQIMSA-N 1 1 445.970 3.606 20 0 IHADMO Fc1nc(F)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)n1 ZINC001164748573 720907294 /nfs/dbraw/zinc/90/72/94/720907294.db2.gz HBWYUXHLSIFQLD-HTAPYJJXSA-N 1 1 449.933 3.558 20 0 IHADMO FC(F)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755056 720931197 /nfs/dbraw/zinc/93/11/97/720931197.db2.gz XZRIAQKLGMZYSH-NFBKMPQASA-N 1 1 429.515 3.564 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)[C@H]2C ZINC001164856261 720990371 /nfs/dbraw/zinc/99/03/71/720990371.db2.gz AIHVFCSJTGQIJL-ZDUSSCGKSA-N 1 1 435.910 3.841 20 0 IHADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164863499 721033405 /nfs/dbraw/zinc/03/34/05/721033405.db2.gz UENQGAIOHWXTGH-UHFFFAOYSA-N 1 1 428.874 3.937 20 0 IHADMO COC(=O)c1c[nH]c2ncnc(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)c12 ZINC001164760007 721044722 /nfs/dbraw/zinc/04/47/22/721044722.db2.gz UFLPQFXSPFMNIH-UHFFFAOYSA-N 1 1 433.556 3.936 20 0 IHADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869515 721049244 /nfs/dbraw/zinc/04/92/44/721049244.db2.gz UCBPQLLVJYURTB-HOTGVXAUSA-N 1 1 429.298 3.808 20 0 IHADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865839 721054050 /nfs/dbraw/zinc/05/40/50/721054050.db2.gz AKOMCGFAVFEINF-GJZGRUSLSA-N 1 1 429.298 3.808 20 0 IHADMO Clc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(Cc2ccccc2)n1 ZINC001164865600 721076385 /nfs/dbraw/zinc/07/63/85/721076385.db2.gz NJICIBZFEBJKBZ-RTWAWAEBSA-N 1 1 435.959 3.596 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)C[C@H]3C2)cn1 ZINC001164769292 721090275 /nfs/dbraw/zinc/09/02/75/721090275.db2.gz OKPBVEZYAYATIN-HZPDHXFCSA-N 1 1 432.906 3.520 20 0 IHADMO Clc1cc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1Cl ZINC001164866177 721119028 /nfs/dbraw/zinc/11/90/28/721119028.db2.gz RPYZIWWIKVYXQE-JKSUJKDBSA-N 1 1 430.339 3.811 20 0 IHADMO Cc1nc2sc3c(c2c(N2CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C2)n1)CCCC3 ZINC001164876974 721138908 /nfs/dbraw/zinc/13/89/08/721138908.db2.gz NHEDKTVXLCPPIL-OALUTQOASA-N 1 1 435.597 3.753 20 0 IHADMO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164878498 721162292 /nfs/dbraw/zinc/16/22/92/721162292.db2.gz QHRRXRYWPKZLIJ-RBUKOAKNSA-N 1 1 439.922 3.811 20 0 IHADMO c1ccc(CSc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164871570 721173649 /nfs/dbraw/zinc/17/36/49/721173649.db2.gz FLNCYUPSKUKEQV-FGZHOGPDSA-N 1 1 433.581 3.644 20 0 IHADMO Clc1ncc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Oc2ccccc2)n1 ZINC001164881175 721184077 /nfs/dbraw/zinc/18/40/77/721184077.db2.gz ZMXCQZUKEFKPIW-QUCCMNQESA-N 1 1 437.931 3.797 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)C[C@@H]3C2)cn1 ZINC001164768612 721190195 /nfs/dbraw/zinc/19/01/95/721190195.db2.gz LKEWIXLTUWRWFM-GOTSBHOMSA-N 1 1 438.579 3.912 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)C[C@@H]3C2)cn1 ZINC001164768618 721190230 /nfs/dbraw/zinc/19/02/30/721190230.db2.gz LKEWIXLTUWRWFM-PKTZIBPZSA-N 1 1 438.579 3.912 20 0 IHADMO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868874 721194939 /nfs/dbraw/zinc/19/49/39/721194939.db2.gz ORWFFLOCVZWVPI-IAGOWNOFSA-N 1 1 434.918 3.643 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C[C@@H]3C2)cn1 ZINC001164772377 721197624 /nfs/dbraw/zinc/19/76/24/721197624.db2.gz UGCJOZVCZWHTRG-SJORKVTESA-N 1 1 442.926 3.753 20 0 IHADMO COc1cc2c(cc1F)cc(Cl)nc2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766499 721248474 /nfs/dbraw/zinc/24/84/74/721248474.db2.gz UPDHMZOTGNDDOI-DOTOQJQBSA-N 1 1 429.927 3.728 20 0 IHADMO CCN1CC[C@@]2(CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@H]2C)C1=O ZINC001164777897 721320594 /nfs/dbraw/zinc/32/05/94/721320594.db2.gz MPSHAMAFKRMGDB-CMJOXMDJSA-N 1 1 427.618 3.599 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC(N(C)C)=NO4)CC3)c2c1C ZINC001164877519 721326658 /nfs/dbraw/zinc/32/66/58/721326658.db2.gz VBXYBNTXNXWAJE-UHFFFAOYSA-N 1 1 428.606 3.538 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4ccccc4)n3)C2)C1 ZINC001164777340 721341988 /nfs/dbraw/zinc/34/19/88/721341988.db2.gz GJVSBIIRCILXMD-VWLOTQADSA-N 1 1 449.555 3.993 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4ccccc4)n3)C2)C1 ZINC001164777340 721341990 /nfs/dbraw/zinc/34/19/90/721341990.db2.gz GJVSBIIRCILXMD-VWLOTQADSA-N 1 1 449.555 3.993 20 0 IHADMO COc1ccc2nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ccc2c1 ZINC001164778186 721345340 /nfs/dbraw/zinc/34/53/40/721345340.db2.gz KGXSTDPLWWNDKX-RUZDIDTESA-N 1 1 436.556 3.967 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@H]3C2)nc1 ZINC001164888619 721352479 /nfs/dbraw/zinc/35/24/79/721352479.db2.gz XQHFHOQYMGAILI-GVAUOCQISA-N 1 1 448.611 3.996 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4[nH]c5ccccc5c43)C2)C1 ZINC001164777828 721353879 /nfs/dbraw/zinc/35/38/79/721353879.db2.gz ILIVLOFNOOXWHV-RUZDIDTESA-N 1 1 446.555 3.835 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(OC(C)(C)C)n3)C2)C1 ZINC001164778816 721354891 /nfs/dbraw/zinc/35/48/91/721354891.db2.gz OVAGHFMHLGMVQT-DEOSSOPVSA-N 1 1 428.577 3.983 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164890983 721383924 /nfs/dbraw/zinc/38/39/24/721383924.db2.gz PSWKTBFYSSXQCM-HNAYVOBHSA-N 1 1 449.373 3.699 20 0 IHADMO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164897832 721425605 /nfs/dbraw/zinc/42/56/05/721425605.db2.gz UTEXWTJUMJNGIH-YKSBVNFPSA-N 1 1 429.008 3.962 20 0 IHADMO CCCCOc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(Cl)c1 ZINC001164893683 721429615 /nfs/dbraw/zinc/42/96/15/721429615.db2.gz JYFPFFLTLOQLJU-WMZHIEFXSA-N 1 1 437.028 3.679 20 0 IHADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)c1 ZINC001164897984 721438775 /nfs/dbraw/zinc/43/87/75/721438775.db2.gz VIABOXNUOBDOJI-ATIYNZHBSA-N 1 1 435.616 3.526 20 0 IHADMO CC(C)c1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc(C(C)(C)C)n1 ZINC001164894866 721441276 /nfs/dbraw/zinc/44/12/76/721441276.db2.gz MTAMQYJBSLLIQG-NBGIEHNGSA-N 1 1 429.653 3.663 20 0 IHADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164894917 721446810 /nfs/dbraw/zinc/44/68/10/721446810.db2.gz NGKLVZMZHCKOGZ-GWJPWWOOSA-N 1 1 436.044 3.717 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(C3CC3)n1)CC2 ZINC001164788620 721460362 /nfs/dbraw/zinc/46/03/62/721460362.db2.gz UUUWPTUPGXTOSO-LJQANCHMSA-N 1 1 435.012 3.741 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164789392 721461314 /nfs/dbraw/zinc/46/13/14/721461314.db2.gz XPXYONNDKGEUBF-HXUWFJFHSA-N 1 1 449.599 3.845 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3c(OC)cccc31)CC2 ZINC001164789432 721468651 /nfs/dbraw/zinc/46/86/51/721468651.db2.gz MTKPJFIOEXTGLM-NRFANRHFSA-N 1 1 439.600 3.977 20 0 IHADMO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792879 721492663 /nfs/dbraw/zinc/49/26/63/721492663.db2.gz UOGOZJLTNXJJFY-UHFFFAOYSA-N 1 1 429.952 3.583 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4ccn5Cc4ccccc4)CC[N@H+]3C2)c1 ZINC001164902529 721538918 /nfs/dbraw/zinc/53/89/18/721538918.db2.gz AFHUVPGZDASEFY-FYYLOGMGSA-N 1 1 443.526 3.961 20 0 IHADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906353 721540268 /nfs/dbraw/zinc/54/02/68/721540268.db2.gz KCDJRHVYGYKTHC-HKUYNNGSSA-N 1 1 446.954 3.744 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164810728 721551909 /nfs/dbraw/zinc/55/19/09/721551909.db2.gz YLXRNHRWDNIFFJ-ZIFCJYIRSA-N 1 1 438.906 3.552 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164810728 721551912 /nfs/dbraw/zinc/55/19/12/721551912.db2.gz YLXRNHRWDNIFFJ-ZIFCJYIRSA-N 1 1 438.906 3.552 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cc3ccccc3)n2)[C@@H]2CCCO[C@H]21 ZINC001164804689 721569360 /nfs/dbraw/zinc/56/93/60/721569360.db2.gz MEXUUBJNKGGGEI-CQOQZXRMSA-N 1 1 449.986 3.984 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cc3ccccc3)n2)[C@@H]2CCCO[C@H]21 ZINC001164804689 721569364 /nfs/dbraw/zinc/56/93/64/721569364.db2.gz MEXUUBJNKGGGEI-CQOQZXRMSA-N 1 1 449.986 3.984 20 0 IHADMO CC(C)n1ccc2c1nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807387 721573557 /nfs/dbraw/zinc/57/35/57/721573557.db2.gz SWZXDFOEBYBNBJ-AABGKKOBSA-N 1 1 440.979 3.929 20 0 IHADMO CC(C)n1ccc2c1nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807387 721573561 /nfs/dbraw/zinc/57/35/61/721573561.db2.gz SWZXDFOEBYBNBJ-AABGKKOBSA-N 1 1 440.979 3.929 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(C3CC3)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164806770 721580226 /nfs/dbraw/zinc/58/02/26/721580226.db2.gz MYTYLRILFOSUCE-XUVXKRRUSA-N 1 1 449.933 3.816 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(C3CC3)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164806770 721580227 /nfs/dbraw/zinc/58/02/27/721580227.db2.gz MYTYLRILFOSUCE-XUVXKRRUSA-N 1 1 449.933 3.816 20 0 IHADMO COc1cc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc2cc1OC ZINC001164804091 721582457 /nfs/dbraw/zinc/58/24/57/721582457.db2.gz IHJJXQCRMCOZFI-STWLZBDKSA-N 1 1 434.540 3.515 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2F)[C@@H]2CCCO[C@@H]12 ZINC001164807511 721582725 /nfs/dbraw/zinc/58/27/25/721582725.db2.gz OHVQEDQUEKKOSE-SYYKKAFVSA-N 1 1 427.911 3.686 20 0 IHADMO FC1(F)CCN(c2ccc(N3CCCCC3)nn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164903381 721583379 /nfs/dbraw/zinc/58/33/79/721583379.db2.gz MUKDXKXYEWSFAT-JOCHJYFZSA-N 1 1 428.531 3.600 20 0 IHADMO Fc1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164905053 721584268 /nfs/dbraw/zinc/58/42/68/721584268.db2.gz RWDDEHRQRGDJHS-IBGZPJMESA-N 1 1 436.869 3.883 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164806191 721587859 /nfs/dbraw/zinc/58/78/59/721587859.db2.gz MFFWJZCDBMCESN-XUVXKRRUSA-N 1 1 443.473 3.970 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164806191 721587862 /nfs/dbraw/zinc/58/78/62/721587862.db2.gz MFFWJZCDBMCESN-XUVXKRRUSA-N 1 1 443.473 3.970 20 0 IHADMO COc1cccc2c1ncnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164903635 721692530 /nfs/dbraw/zinc/69/25/30/721692530.db2.gz BBGFHNHPDDJLBM-JOCHJYFZSA-N 1 1 425.483 3.771 20 0 IHADMO CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C)c1 ZINC001164907014 721695211 /nfs/dbraw/zinc/69/52/11/721695211.db2.gz QGUKNHQGMQSTFM-JOCHJYFZSA-N 1 1 430.499 3.699 20 0 IHADMO COc1cccc2cnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164906171 721706890 /nfs/dbraw/zinc/70/68/90/721706890.db2.gz KLKQSRMAYSBRTM-JOCHJYFZSA-N 1 1 425.483 3.771 20 0 IHADMO Cc1noc(-c2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2)n1 ZINC001164913474 721727891 /nfs/dbraw/zinc/72/78/91/721727891.db2.gz WDIKXOQXCFXGNJ-NRFANRHFSA-N 1 1 426.471 3.573 20 0 IHADMO FC1(F)CCN(c2cncc(N3CCCCCC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164909103 721732449 /nfs/dbraw/zinc/73/24/49/721732449.db2.gz BGRLCNJJQWECDH-QHCPKHFHSA-N 1 1 442.558 3.990 20 0 IHADMO FC(F)(Oc1cnc(Cl)cn1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913813 721738105 /nfs/dbraw/zinc/73/81/05/721738105.db2.gz YBBIKPRJERTROS-KRWDZBQOSA-N 1 1 445.848 3.687 20 0 IHADMO Cc1ccc2cc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164915615 721789283 /nfs/dbraw/zinc/78/92/83/721789283.db2.gz LYIGBYOSUKGFNY-XMMPIXPASA-N 1 1 438.959 3.699 20 0 IHADMO Cc1ccc2cc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164915615 721789290 /nfs/dbraw/zinc/78/92/90/721789290.db2.gz LYIGBYOSUKGFNY-XMMPIXPASA-N 1 1 438.959 3.699 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C[C@@H]21 ZINC001165019510 721801501 /nfs/dbraw/zinc/80/15/01/721801501.db2.gz CMCLSZMMPVHDCB-FHLIZLRMSA-N 1 1 449.933 3.511 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)C[C@@H]21 ZINC001165019081 721828403 /nfs/dbraw/zinc/82/84/03/721828403.db2.gz AUBYNVZONXIASQ-CWRNSKLLSA-N 1 1 444.370 3.859 20 0 IHADMO COC[C@]12COC[C@@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164954967 721994980 /nfs/dbraw/zinc/99/49/80/721994980.db2.gz YJOVVEYQKQTUNP-XVTZWQNCSA-N 1 1 442.629 3.511 20 0 IHADMO FC(F)(F)c1nnc(N2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)s1 ZINC001165050936 721999423 /nfs/dbraw/zinc/99/94/23/721999423.db2.gz BDQFWOJXPUVJFH-UHFFFAOYSA-N 1 1 432.903 3.528 20 0 IHADMO Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]21 ZINC001164953194 722005491 /nfs/dbraw/zinc/00/54/91/722005491.db2.gz QBTGAJJFYKHCOA-SIKLNZKXSA-N 1 1 429.568 3.731 20 0 IHADMO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953712 722013517 /nfs/dbraw/zinc/01/35/17/722013517.db2.gz GFQFABXBMLRVQW-UHFFFAOYSA-N 1 1 431.540 3.694 20 0 IHADMO CCOC(=O)c1ccc2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164951499 722017858 /nfs/dbraw/zinc/01/78/58/722017858.db2.gz AWGSCLPBHDGNSO-UHFFFAOYSA-N 1 1 431.540 3.694 20 0 IHADMO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ccc(C[N@H+](C)C4CC4)cn2)C3)n1 ZINC001164959836 722027490 /nfs/dbraw/zinc/02/74/90/722027490.db2.gz IYTDQPTZBGDZMJ-AHWVRZQESA-N 1 1 436.600 3.972 20 0 IHADMO c1cncc(-c2nc3sc4c(c3c(N3C[C@@H]5C[N@@H+](CC6CC6)C[C@H](C3)O5)n2)CCC4)c1 ZINC001164967153 722075636 /nfs/dbraw/zinc/07/56/36/722075636.db2.gz LOFKCUCAHHKLQM-HDICACEKSA-N 1 1 433.581 3.541 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@@H]2C1 ZINC001164969181 722082691 /nfs/dbraw/zinc/08/26/91/722082691.db2.gz KXWNNDQMWKPVHM-WOJBJXKFSA-N 1 1 431.939 3.859 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@H]2C(=O)N(Cc3cccc(F)c3)CCO[C@@H]2C1 ZINC001164969181 722082692 /nfs/dbraw/zinc/08/26/92/722082692.db2.gz KXWNNDQMWKPVHM-WOJBJXKFSA-N 1 1 431.939 3.859 20 0 IHADMO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001164975483 722097698 /nfs/dbraw/zinc/09/76/98/722097698.db2.gz BZPZSMFRLFOPOI-JAXLGGSGSA-N 1 1 439.991 3.877 20 0 IHADMO Clc1cc(-c2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)ccn1 ZINC001164986557 722106935 /nfs/dbraw/zinc/10/69/35/722106935.db2.gz ZHJGNTFBTZTLPW-FCHUYYIVSA-N 1 1 435.959 3.919 20 0 IHADMO Cc1nc2sc3c(c2c(N2CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C2)n1)CCC3 ZINC001164983808 722139100 /nfs/dbraw/zinc/13/91/00/722139100.db2.gz VFBVSARZKJGMSB-ICSRJNTNSA-N 1 1 435.597 3.611 20 0 IHADMO CCN(c1ccccc1)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164973175 722149215 /nfs/dbraw/zinc/14/92/15/722149215.db2.gz BIZWWDOPEXKWFK-LADGPHEKSA-N 1 1 444.583 3.757 20 0 IHADMO Fc1ccc2nc(C(F)F)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974662 722151872 /nfs/dbraw/zinc/15/18/72/722151872.db2.gz OUBSCWIHZBQOLD-OXJNMPFZSA-N 1 1 443.473 3.829 20 0 IHADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971657 722153684 /nfs/dbraw/zinc/15/36/84/722153684.db2.gz CNHGMVMJGSEIKN-WOJBJXKFSA-N 1 1 429.996 3.759 20 0 IHADMO Clc1nc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C2CC2)n1 ZINC001164972612 722156481 /nfs/dbraw/zinc/15/64/81/722156481.db2.gz IRLRMWHXCWYFCS-IAGOWNOFSA-N 1 1 434.371 3.783 20 0 IHADMO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC001175707964 1126149449 /nfs/dbraw/zinc/14/94/49/1126149449.db2.gz OIKWXNUBWMRULR-GOSISDBHSA-N 1 1 438.347 3.653 20 0 IHADMO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC001198219220 1126154869 /nfs/dbraw/zinc/15/48/69/1126154869.db2.gz MRGCOCXIMXSGOM-KRWDZBQOSA-N 1 1 426.311 3.783 20 0 IHADMO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1nc2cc(Br)ccc2[nH]1)C(F)(F)F ZINC001460687088 1126191367 /nfs/dbraw/zinc/19/13/67/1126191367.db2.gz CVNWTENEGADHKU-DOTOQJQBSA-N 1 1 428.252 3.950 20 0 IHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CC(=O)CO5)CC4)c32)C1 ZINC001164389844 718827852 /nfs/dbraw/zinc/82/78/52/718827852.db2.gz JWZPLANWPLUWMM-MRXNPFEDSA-N 1 1 440.613 3.740 20 0 IHADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4nc5ccccc5nc4N4CCOCC4)[C@H]3C2)cc1 ZINC001164625944 719077127 /nfs/dbraw/zinc/07/71/27/719077127.db2.gz NTKQIWQBXJGHGM-QPPBQGQZSA-N 1 1 429.568 3.567 20 0 IHADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000508368886 719236447 /nfs/dbraw/zinc/23/64/47/719236447.db2.gz CXZLZKHPHILPGH-ROUUACIJSA-N 1 1 437.613 3.719 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)CC3CC3)C2)nc1 ZINC001164654663 719326326 /nfs/dbraw/zinc/32/63/26/719326326.db2.gz MNQCIVGRCCCSSL-WOLJRWFJSA-N 1 1 440.632 3.919 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(COc4cccnc4)c3C2)nc1 ZINC001164654736 719328002 /nfs/dbraw/zinc/32/80/02/719328002.db2.gz MSNHJNWPLKWICQ-JOCHJYFZSA-N 1 1 433.560 3.604 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)nc1 ZINC001164677537 719545129 /nfs/dbraw/zinc/54/51/29/719545129.db2.gz FBLYXSKHTCYBKU-SSGKUCQKSA-N 1 1 426.605 3.625 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1 ZINC001164677485 719561231 /nfs/dbraw/zinc/56/12/31/719561231.db2.gz OFWXTSAIFHZFJW-XZOQPEGZSA-N 1 1 438.616 3.650 20 0 IHADMO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693849 719804170 /nfs/dbraw/zinc/80/41/70/719804170.db2.gz VJLAEEXNOBROBS-UHFFFAOYSA-N 1 1 435.981 3.707 20 0 IHADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ccc1-c1ccccc1 ZINC001164698440 719853127 /nfs/dbraw/zinc/85/31/27/719853127.db2.gz CJKIJXOZYDMCBW-FDDCHVKYSA-N 1 1 429.948 3.635 20 0 IHADMO Cc1cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(Cl)n1 ZINC001164696044 719890780 /nfs/dbraw/zinc/89/07/80/719890780.db2.gz VNWXNWQNAPSZIQ-UHFFFAOYSA-N 1 1 428.936 3.916 20 0 IHADMO Nc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164697102 719894580 /nfs/dbraw/zinc/89/45/80/719894580.db2.gz JQPDDZWQMBXHIG-UHFFFAOYSA-N 1 1 428.936 3.795 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c1Cl ZINC001164810388 720091178 /nfs/dbraw/zinc/09/11/78/720091178.db2.gz LKFLRHIBODARRX-YCRPNKLZSA-N 1 1 442.387 3.750 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)n1)CC2 ZINC001164711183 720092707 /nfs/dbraw/zinc/09/27/07/720092707.db2.gz PDZKKYUTGQHEIQ-KRWDZBQOSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164718614 720107420 /nfs/dbraw/zinc/10/74/20/720107420.db2.gz TWJUNUXSWYPRDP-WIYYLYMNSA-N 1 1 434.943 3.765 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164718612 720108080 /nfs/dbraw/zinc/10/80/80/720108080.db2.gz TWJUNUXSWYPRDP-NQIIRXRSSA-N 1 1 434.943 3.765 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3nc[nH]c31)CC2 ZINC001164719100 720115571 /nfs/dbraw/zinc/11/55/71/720115571.db2.gz WBBNRIWLSOCNJX-KRWDZBQOSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3[nH]cnc31)CC2 ZINC001164719100 720115572 /nfs/dbraw/zinc/11/55/72/720115572.db2.gz WBBNRIWLSOCNJX-KRWDZBQOSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3[nH]cnc31)CC2 ZINC001164719100 720115574 /nfs/dbraw/zinc/11/55/74/720115574.db2.gz WBBNRIWLSOCNJX-KRWDZBQOSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164807952 720122054 /nfs/dbraw/zinc/12/20/54/720122054.db2.gz DASBNKVSPCFUOK-GBXCKJPGSA-N 1 1 442.991 3.894 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)cnc31)CC2 ZINC001164714904 720125179 /nfs/dbraw/zinc/12/51/79/720125179.db2.gz DWXMMCQGQZRMSQ-LJQANCHMSA-N 1 1 438.963 3.581 20 0 IHADMO CCOC(=O)c1cc2c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)[nH]c(C)c(C)c-2n1 ZINC001164808501 720134284 /nfs/dbraw/zinc/13/42/84/720134284.db2.gz FHUVEBXRYQITMH-DFBJGRDBSA-N 1 1 440.588 3.541 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccccn3)n1)CC2 ZINC001164711238 720141449 /nfs/dbraw/zinc/14/14/49/720141449.db2.gz GHYVTHAHWPUCMP-QFIPXVFZSA-N 1 1 444.583 3.750 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccnc(-c3nccs3)n1)CC2 ZINC001164713863 720155874 /nfs/dbraw/zinc/15/58/74/720155874.db2.gz MEFAHIRSSVQFAG-IBGZPJMESA-N 1 1 436.585 3.503 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)nc(-c3ccc(Cl)nc3)n1)C2 ZINC001164815067 720192286 /nfs/dbraw/zinc/19/22/86/720192286.db2.gz HTUBQTBQTQHXJG-WMZHIEFXSA-N 1 1 427.980 3.685 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(Cl)c1)CCC2 ZINC001164813504 720211702 /nfs/dbraw/zinc/21/17/02/720211702.db2.gz QKBGIHMCJUXBSX-UHFFFAOYSA-N 1 1 446.329 3.741 20 0 IHADMO CCCCOc1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(Cl)c1 ZINC001164812140 720233031 /nfs/dbraw/zinc/23/30/31/720233031.db2.gz BTYNXFYBWIMBHL-UHFFFAOYSA-N 1 1 433.984 3.721 20 0 IHADMO CCc1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)cc1 ZINC001164813377 720240160 /nfs/dbraw/zinc/24/01/60/720240160.db2.gz NPDMPVIVEUWCJX-UHFFFAOYSA-N 1 1 432.572 3.513 20 0 IHADMO 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O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731118 720473807 /nfs/dbraw/zinc/47/38/07/720473807.db2.gz VSZSTSXFTSACMQ-SJORKVTESA-N 1 1 437.878 3.620 20 0 IHADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164833655 720511303 /nfs/dbraw/zinc/51/13/03/720511303.db2.gz DLTDTJZTPMJSPJ-NLWGTHIKSA-N 1 1 445.995 3.794 20 0 IHADMO CSc1nc2sccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164835361 720514371 /nfs/dbraw/zinc/51/43/71/720514371.db2.gz KFHADAMNVODOER-SOLBZPMBSA-N 1 1 428.631 3.988 20 0 IHADMO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c1 ZINC001164836627 720535062 /nfs/dbraw/zinc/53/50/62/720535062.db2.gz KKPMXRRGIMDNEY-QNWVGRARSA-N 1 1 433.556 3.596 20 0 IHADMO COc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c21 ZINC001164835346 720554548 /nfs/dbraw/zinc/55/45/48/720554548.db2.gz GVLGIDLNDAYQFC-ZIFCJYIRSA-N 1 1 440.979 3.866 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837319 720556581 /nfs/dbraw/zinc/55/65/81/720556581.db2.gz LQIBCIQXNQZJOG-CMKODMSKSA-N 1 1 445.995 3.794 20 0 IHADMO Cc1nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(Cl)c1C ZINC001164834253 720566170 /nfs/dbraw/zinc/56/61/70/720566170.db2.gz DAQLWVDBHQTYDZ-FGTMMUONSA-N 1 1 438.954 3.866 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)COc3cccc(Cl)n3)CC[C@@H]21 ZINC001164839144 720566818 /nfs/dbraw/zinc/56/68/18/720566818.db2.gz PPOHMWNFQKBIKE-SQNIBIBYSA-N 1 1 439.938 3.777 20 0 IHADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842533 720578403 /nfs/dbraw/zinc/57/84/03/720578403.db2.gz YCRJUNFMKTYECC-FGTMMUONSA-N 1 1 442.999 3.635 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4c(n3)-c3ccccc3CC4)CC[C@@H]21 ZINC001164836845 720583754 /nfs/dbraw/zinc/58/37/54/720583754.db2.gz HBELHDOFBYRTOA-GPXNEJASSA-N 1 1 428.584 3.817 20 0 IHADMO 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c1cc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164753502 720868856 /nfs/dbraw/zinc/86/88/56/720868856.db2.gz PRNPMTFFCSVGNK-GBXCKJPGSA-N 1 1 435.597 3.841 20 0 IHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nccc4ncccc42)C3)c1 ZINC001164754822 720875695 /nfs/dbraw/zinc/87/56/95/720875695.db2.gz STPAUQLJUYOODK-BKMJKUGQSA-N 1 1 429.568 3.780 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)nc4scc(-c5cccs5)c43)CC[C@@H]2C1 ZINC001164865268 720876243 /nfs/dbraw/zinc/87/62/43/720876243.db2.gz ZKLQZHGLJQGLKB-SJLPKXTDSA-N 1 1 444.626 3.902 20 0 IHADMO COc1cc(Cl)ncc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758213 720882834 /nfs/dbraw/zinc/88/28/34/720882834.db2.gz XVIGREDGBPSYOX-RDPSFJRHSA-N 1 1 442.991 3.894 20 0 IHADMO Cc1nc(C)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)n1 ZINC001164749473 720885331 /nfs/dbraw/zinc/88/53/31/720885331.db2.gz ACJDCWOARVBPSI-QPPBQGQZSA-N 1 1 442.007 3.897 20 0 IHADMO c1coc(-c2cnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cn2)c1 ZINC001164750473 720885637 /nfs/dbraw/zinc/88/56/37/720885637.db2.gz BHNMLLQBYHDRTE-ATIYNZHBSA-N 1 1 445.567 3.887 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)c(Cc4ccc(Cl)cc4)c(C)n3)CC[C@@H]2C1 ZINC001164855906 720886717 /nfs/dbraw/zinc/88/67/17/720886717.db2.gz IDUGGEQCBLRRPF-NFBKMPQASA-N 1 1 445.007 3.511 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)CC[C@H]2C1 ZINC001164864993 720887922 /nfs/dbraw/zinc/88/79/22/720887922.db2.gz XQVCYPLBWRIFPY-KSSFIOAISA-N 1 1 425.907 3.648 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)CC[C@@H]2C1 ZINC001164864992 720888086 /nfs/dbraw/zinc/88/80/86/720888086.db2.gz XQVCYPLBWRIFPY-KDOFPFPSSA-N 1 1 425.907 3.648 20 0 IHADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001164863669 720889523 /nfs/dbraw/zinc/88/95/23/720889523.db2.gz TYUCYJBBJPKUKF-GHTZIAJQSA-N 1 1 446.979 3.658 20 0 IHADMO C=C(OCC)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164751734 720890306 /nfs/dbraw/zinc/89/03/06/720890306.db2.gz DDNJRHCDLMQSBC-OZXSUGGESA-N 1 1 449.599 3.634 20 0 IHADMO COc1ccc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754908 720891330 /nfs/dbraw/zinc/89/13/30/720891330.db2.gz JMKBKENSROTPFJ-YKSBVNFPSA-N 1 1 442.991 3.894 20 0 IHADMO Fc1ccc2cnnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755590 720893259 /nfs/dbraw/zinc/89/32/59/720893259.db2.gz MATVFZBOIQMKDT-GJZUVCINSA-N 1 1 447.558 3.919 20 0 IHADMO Fc1cccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164758445 720893737 /nfs/dbraw/zinc/89/37/37/720893737.db2.gz YDPCZOAMQRTJMQ-QFQXNSOFSA-N 1 1 447.558 3.919 20 0 IHADMO O=C(c1cccnc1)N1CCC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)CC1 ZINC001164857833 720894240 /nfs/dbraw/zinc/89/42/40/720894240.db2.gz KDDIDQTYDCLXRU-UHFFFAOYSA-N 1 1 439.991 3.859 20 0 IHADMO 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CCc1cc(CC)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753734 720934919 /nfs/dbraw/zinc/93/49/19/720934919.db2.gz SJAFJTGBARLMBF-GJZUVCINSA-N 1 1 435.616 3.752 20 0 IHADMO COC(=O)c1cc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cnc1Cl ZINC001164860714 720946374 /nfs/dbraw/zinc/94/63/74/720946374.db2.gz RIKUXGLTHPYRQN-ZDUSSCGKSA-N 1 1 441.910 3.684 20 0 IHADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863443 720951034 /nfs/dbraw/zinc/95/10/34/720951034.db2.gz ZYVCDTZNQVGVNX-CYBMUJFWSA-N 1 1 441.910 3.684 20 0 IHADMO COC(=O)C[C@H](c1ccnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1)C1CC1 ZINC001164861882 720997427 /nfs/dbraw/zinc/99/74/27/720997427.db2.gz RADBPVQSCAXRKY-UTKZUKDTSA-N 1 1 425.577 3.756 20 0 IHADMO COc1ccc(OC)c(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nn2)c1 ZINC001164860350 721010065 /nfs/dbraw/zinc/01/00/65/721010065.db2.gz LLYZPJCVPHIGEI-QGZVFWFLSA-N 1 1 436.560 3.779 20 0 IHADMO Clc1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164869532 721043649 /nfs/dbraw/zinc/04/36/49/721043649.db2.gz UCTAUAXDWMJEAQ-SJORKVTESA-N 1 1 430.339 3.811 20 0 IHADMO FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871519 721051133 /nfs/dbraw/zinc/05/11/33/721051133.db2.gz ZLNMOSHFLYNZAG-IAGOWNOFSA-N 1 1 445.901 3.703 20 0 IHADMO Clc1ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nc2c1 ZINC001164868121 721073633 /nfs/dbraw/zinc/07/36/33/721073633.db2.gz MJFKXYHPLYFWFV-SJORKVTESA-N 1 1 430.339 3.811 20 0 IHADMO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867080 721075558 /nfs/dbraw/zinc/07/55/58/721075558.db2.gz HOQRZECIDIGFAJ-QZTJIDSGSA-N 1 1 445.901 3.703 20 0 IHADMO Clc1cccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164865798 721087943 /nfs/dbraw/zinc/08/79/43/721087943.db2.gz PPCIWUNEWKVLOD-CVEARBPZSA-N 1 1 430.339 3.811 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ncc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164774107 721093471 /nfs/dbraw/zinc/09/34/71/721093471.db2.gz YVLBIWIMENVDRA-HOTGVXAUSA-N 1 1 432.906 3.520 20 0 IHADMO FC(F)(c1nc2ccccc2nc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866974 721108349 /nfs/dbraw/zinc/10/83/49/721108349.db2.gz WBGMVNWVZCUKMT-DLBZAZTESA-N 1 1 445.901 3.703 20 0 IHADMO Clc1cc(Cc2ccccc2)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866180 721121061 /nfs/dbraw/zinc/12/10/61/721121061.db2.gz RQWZKYPDXUBWMG-VXKWHMMOSA-N 1 1 435.959 3.596 20 0 IHADMO FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164877629 721182658 /nfs/dbraw/zinc/18/26/58/721182658.db2.gz PHCLYMAJELBOKU-CABCVRRESA-N 1 1 445.297 3.688 20 0 IHADMO FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164877630 721182755 /nfs/dbraw/zinc/18/27/55/721182755.db2.gz PHCLYMAJELBOKU-GJZGRUSLSA-N 1 1 445.297 3.688 20 0 IHADMO Clc1ncc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Oc2ccccc2)n1 ZINC001164881177 721185418 /nfs/dbraw/zinc/18/54/18/721185418.db2.gz ZMXCQZUKEFKPIW-UYAOXDASSA-N 1 1 437.931 3.797 20 0 IHADMO COc1cc2c(cc1F)cc(Cl)nc2N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766503 721249198 /nfs/dbraw/zinc/24/91/98/721249198.db2.gz UPDHMZOTGNDDOI-NVXWUHKLSA-N 1 1 429.927 3.728 20 0 IHADMO CCN1CC[C@]2(CN(c3nc(C[NH+](CC)CC)nc4sc(C)c(C)c43)C[C@@H]2C)C1=O ZINC001164778700 721320573 /nfs/dbraw/zinc/32/05/73/721320573.db2.gz QOUGLYRAZXKVNE-NPMXOYFQSA-N 1 1 429.634 3.845 20 0 IHADMO O=C(c1cscn1)N1CCC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164874840 721329223 /nfs/dbraw/zinc/32/92/23/721329223.db2.gz JUFUVKUBUJBCIM-UHFFFAOYSA-N 1 1 446.020 3.920 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3Cl)C2)C1 ZINC001164776139 721336024 /nfs/dbraw/zinc/33/60/24/721336024.db2.gz CVEHVSROMRAIPX-LJQANCHMSA-N 1 1 426.348 3.507 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3Cl)C2)C1 ZINC001164776139 721336029 /nfs/dbraw/zinc/33/60/29/721336029.db2.gz CVEHVSROMRAIPX-LJQANCHMSA-N 1 1 426.348 3.507 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3Cl)C2)C1 ZINC001164776133 721336040 /nfs/dbraw/zinc/33/60/40/721336040.db2.gz CVEHVSROMRAIPX-IBGZPJMESA-N 1 1 426.348 3.507 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3Cl)C2)C1 ZINC001164776133 721336045 /nfs/dbraw/zinc/33/60/45/721336045.db2.gz CVEHVSROMRAIPX-IBGZPJMESA-N 1 1 426.348 3.507 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164778192 721350325 /nfs/dbraw/zinc/35/03/25/721350325.db2.gz KKLJYLCRFRCNPD-RTWAWAEBSA-N 1 1 438.931 3.586 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164778192 721350328 /nfs/dbraw/zinc/35/03/28/721350328.db2.gz KKLJYLCRFRCNPD-RTWAWAEBSA-N 1 1 438.931 3.586 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@H]3C2)nc1 ZINC001164883769 721352666 /nfs/dbraw/zinc/35/26/66/721352666.db2.gz LSZWLPZGBPNOKS-VXNXHJTFSA-N 1 1 434.584 3.606 20 0 IHADMO C=Cc1nc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1OC ZINC001164783929 721364230 /nfs/dbraw/zinc/36/42/30/721364230.db2.gz QBSQUENYVXCWRH-JOCHJYFZSA-N 1 1 447.967 3.505 20 0 IHADMO C=Cc1nc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1OC ZINC001164783929 721364233 /nfs/dbraw/zinc/36/42/33/721364233.db2.gz QBSQUENYVXCWRH-JOCHJYFZSA-N 1 1 447.967 3.505 20 0 IHADMO COc1cccc2c1ccnc2N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164785278 721368969 /nfs/dbraw/zinc/36/89/69/721368969.db2.gz SXHCCYNUYAJQCK-RUZDIDTESA-N 1 1 436.556 3.967 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(COC4CCC4)cn3)C2)C1 ZINC001164787737 721371705 /nfs/dbraw/zinc/37/17/05/721371705.db2.gz ZOXQPWYAWQKSEP-VWLOTQADSA-N 1 1 440.588 3.875 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C4CC4)nc4[nH]ccc43)C2)C1 ZINC001164786121 721375052 /nfs/dbraw/zinc/37/50/52/721375052.db2.gz SQQOQICXSSTIQF-DEOSSOPVSA-N 1 1 436.560 3.559 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(Cl)c4)C3)O2)CC1 ZINC001164892815 721384324 /nfs/dbraw/zinc/38/43/24/721384324.db2.gz STWUITKLWMYLNL-LPHOPBHVSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4Cl)C3)O2)CC1 ZINC001164890535 721387750 /nfs/dbraw/zinc/38/77/50/721387750.db2.gz NYUSAMKXMNBXEL-DNVCBOLYSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(Cl)cc(Cl)nc4Cl)C3)O2)CC1 ZINC001164889188 721396523 /nfs/dbraw/zinc/39/65/23/721396523.db2.gz KQPRPFGTFRAUPN-KUHUBIRLSA-N 1 1 433.811 3.807 20 0 IHADMO Clc1ncc(OCc2ccccc2)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164788140 721411759 /nfs/dbraw/zinc/41/17/59/721411759.db2.gz QZKOJDBAWRBRNF-IAGOWNOFSA-N 1 1 427.961 3.734 20 0 IHADMO Cc1ccc(F)c2cc(C)c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc12 ZINC001164891976 721421141 /nfs/dbraw/zinc/42/11/41/721421141.db2.gz XMMIKNWVBJNSLM-CJFMBICVSA-N 1 1 426.580 3.756 20 0 IHADMO Cc1nc(C2CCCCC2)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164897715 721430220 /nfs/dbraw/zinc/43/02/20/721430220.db2.gz UNCGACTXXQSEBV-WIOPSUGQSA-N 1 1 427.637 3.598 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5cc(F)c(Cl)cc54)C3)O2)CC1 ZINC001164890237 721445710 /nfs/dbraw/zinc/44/57/10/721445710.db2.gz CQOYYNQJAKIGAC-JPYJTQIMSA-N 1 1 432.971 3.793 20 0 IHADMO Cc1cccc2cc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164894401 721447788 /nfs/dbraw/zinc/44/77/88/721447788.db2.gz MBDKRDZMOGALGR-HYBUGGRVSA-N 1 1 429.008 3.962 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3sc(C)cc31)CC2 ZINC001164788643 721448590 /nfs/dbraw/zinc/44/85/90/721448590.db2.gz RYEICIDKLOLSHL-IBGZPJMESA-N 1 1 430.618 3.734 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)Sc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164886543 721451235 /nfs/dbraw/zinc/45/12/35/721451235.db2.gz HCIUANZLYSQYKS-VQIMIIECSA-N 1 1 446.995 3.638 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164783448 721452482 /nfs/dbraw/zinc/45/24/82/721452482.db2.gz BTICHIBPHZJZDO-IBGZPJMESA-N 1 1 435.012 3.741 20 0 IHADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164886470 721454136 /nfs/dbraw/zinc/45/41/36/721454136.db2.gz GRHRCXWITMVOAM-RDPSFJRHSA-N 1 1 445.007 3.662 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(SC(C)C)nn1)CC2 ZINC001164789519 721469429 /nfs/dbraw/zinc/46/94/29/721469429.db2.gz NMCFZQIMUVUROT-HXUWFJFHSA-N 1 1 434.650 3.711 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)nc4Cl)CC[N@H+]3C2)c1 ZINC001164899961 721512037 /nfs/dbraw/zinc/51/20/37/721512037.db2.gz MPCCEXYVUOQFCA-GXTWGEPZSA-N 1 1 433.261 3.809 20 0 IHADMO O=C(NC1CCCCC1)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900098 721515463 /nfs/dbraw/zinc/51/54/63/721515463.db2.gz OAOPAOQQPUSGSF-IRLDBZIGSA-N 1 1 438.547 3.625 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(F)c(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164811158 721533640 /nfs/dbraw/zinc/53/36/40/721533640.db2.gz YYNHGYDGJQFUBR-JZXOWHBKSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(F)c(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164811158 721533645 /nfs/dbraw/zinc/53/36/45/721533645.db2.gz YYNHGYDGJQFUBR-JZXOWHBKSA-N 1 1 426.870 3.682 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CC[N@H+]3C2)c1 ZINC001164911942 721539505 /nfs/dbraw/zinc/53/95/05/721539505.db2.gz XPLRLEUPOJAHAH-FPOVZHCZSA-N 1 1 430.955 3.812 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CC[N@H+]3C2)c1 ZINC001164911940 721540231 /nfs/dbraw/zinc/54/02/31/721540231.db2.gz XPLRLEUPOJAHAH-CTNGQTDRSA-N 1 1 430.955 3.812 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccnc2C2SCCCS2)[C@@H]2CCCO[C@H]12 ZINC001164810118 721543217 /nfs/dbraw/zinc/54/32/17/721543217.db2.gz XANOSOOCILXDAT-GGPKGHCWSA-N 1 1 443.642 3.609 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccnc2C2SCCCS2)[C@@H]2CCCO[C@H]12 ZINC001164810118 721543223 /nfs/dbraw/zinc/54/32/23/721543223.db2.gz XANOSOOCILXDAT-GGPKGHCWSA-N 1 1 443.642 3.609 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)s1 ZINC001164810082 721544370 /nfs/dbraw/zinc/54/43/70/721544370.db2.gz WXZPPMROZPTUHQ-OKZBNKHCSA-N 1 1 429.977 3.916 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)s1 ZINC001164810082 721544374 /nfs/dbraw/zinc/54/43/74/721544374.db2.gz WXZPPMROZPTUHQ-OKZBNKHCSA-N 1 1 429.977 3.916 20 0 IHADMO COc1cccc(Oc2cncc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)c1 ZINC001164907298 721545860 /nfs/dbraw/zinc/54/58/60/721545860.db2.gz MWFPAXJNOMEYRC-XMSQKQJNSA-N 1 1 436.487 3.759 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)CC[N@H+]3C2)c1 ZINC001164907372 721548838 /nfs/dbraw/zinc/54/88/38/721548838.db2.gz NFAVOVRKWLUPQC-WBVHZDCISA-N 1 1 449.864 3.704 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3c[nH]c4ccccc34)n2)[C@H]2CCCO[C@@H]12 ZINC001164807842 721551621 /nfs/dbraw/zinc/55/16/21/721551621.db2.gz RNUCHSBOLWRCJN-ISJGIBHGSA-N 1 1 440.551 3.888 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3c[nH]c4ccccc34)n2)[C@H]2CCCO[C@@H]12 ZINC001164807842 721551624 /nfs/dbraw/zinc/55/16/24/721551624.db2.gz RNUCHSBOLWRCJN-ISJGIBHGSA-N 1 1 440.551 3.888 20 0 IHADMO CCOC(=O)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc2ccccc21 ZINC001164803682 721552783 /nfs/dbraw/zinc/55/27/83/721552783.db2.gz ISMRPAGDCXWNMB-GIFXNVAJSA-N 1 1 446.551 3.675 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2F)[C@@H]2CCCO[C@@H]12 ZINC001164803702 721552816 /nfs/dbraw/zinc/55/28/16/721552816.db2.gz IUWWQDQETNPAQC-ZHALLVOQSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2F)[C@@H]2CCCO[C@@H]12 ZINC001164803702 721552821 /nfs/dbraw/zinc/55/28/21/721552821.db2.gz IUWWQDQETNPAQC-ZHALLVOQSA-N 1 1 426.870 3.682 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)CC[N@H+]3C2)c1 ZINC001164911098 721555225 /nfs/dbraw/zinc/55/52/25/721555225.db2.gz YKBGASAESNVBAJ-ZBFHGGJFSA-N 1 1 438.881 3.645 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(Oc3cccc(F)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164809930 721568479 /nfs/dbraw/zinc/56/84/79/721568479.db2.gz YIIVOSUVCTYEKP-LGVFNWMJSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(Oc3cccc(F)c3)n2)[C@@H]2CCCO[C@H]12 ZINC001164809930 721568481 /nfs/dbraw/zinc/56/84/81/721568481.db2.gz YIIVOSUVCTYEKP-LGVFNWMJSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(C(C)(C)C)no3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164799713 721572179 /nfs/dbraw/zinc/57/21/79/721572179.db2.gz DGHVLGYAKQYWCG-TUNNFDKTSA-N 1 1 448.571 3.692 20 0 IHADMO CCc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)cc1 ZINC001164800013 721583400 /nfs/dbraw/zinc/58/34/00/721583400.db2.gz BFOFAQXVHYOOAC-RMTZWNOUSA-N 1 1 429.568 3.969 20 0 IHADMO CCc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)cc1 ZINC001164800013 721583403 /nfs/dbraw/zinc/58/34/03/721583403.db2.gz BFOFAQXVHYOOAC-RMTZWNOUSA-N 1 1 429.568 3.969 20 0 IHADMO CCc1ccc(-c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)cc1 ZINC001164800014 721583619 /nfs/dbraw/zinc/58/36/19/721583619.db2.gz BFOFAQXVHYOOAC-USZFVNFHSA-N 1 1 429.568 3.969 20 0 IHADMO CCc1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)cc1 ZINC001164800014 721583622 /nfs/dbraw/zinc/58/36/22/721583622.db2.gz BFOFAQXVHYOOAC-USZFVNFHSA-N 1 1 429.568 3.969 20 0 IHADMO Fc1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164905058 721584114 /nfs/dbraw/zinc/58/41/14/721584114.db2.gz RWDDEHRQRGDJHS-LJQANCHMSA-N 1 1 436.869 3.883 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164811993 721589303 /nfs/dbraw/zinc/58/93/03/721589303.db2.gz ZJEKBFVVJFUGTH-KMDXXIMOSA-N 1 1 433.531 3.854 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164811993 721589307 /nfs/dbraw/zinc/58/93/07/721589307.db2.gz ZJEKBFVVJFUGTH-KMDXXIMOSA-N 1 1 433.531 3.854 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)nc2C2CC2)[C@H]2CCCO[C@H]12 ZINC001164811349 721590447 /nfs/dbraw/zinc/59/04/47/721590447.db2.gz XLZLQHZNHYNCPP-FCEWJHQRSA-N 1 1 434.371 3.924 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nc(Cl)nc2C2CC2)[C@H]2CCCO[C@H]12 ZINC001164811349 721590449 /nfs/dbraw/zinc/59/04/49/721590449.db2.gz XLZLQHZNHYNCPP-FCEWJHQRSA-N 1 1 434.371 3.924 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c32)[C@@H]2CCCO[C@H]12 ZINC001164804083 721591129 /nfs/dbraw/zinc/59/11/29/721591129.db2.gz IGFIQCUGVFXXSQ-SJBKTWHCSA-N 1 1 432.503 3.513 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c32)[C@@H]2CCCO[C@@H]12 ZINC001164804082 721591335 /nfs/dbraw/zinc/59/13/35/721591335.db2.gz IGFIQCUGVFXXSQ-KCZVDYSFSA-N 1 1 432.503 3.513 20 0 IHADMO COC(=O)c1c(C)cc(C)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908453 721702964 /nfs/dbraw/zinc/70/29/64/721702964.db2.gz ZHEIYYUJIRWMFW-JOCHJYFZSA-N 1 1 430.499 3.618 20 0 IHADMO CCOC(=O)c1cc(C)cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906816 721705064 /nfs/dbraw/zinc/70/50/64/721705064.db2.gz ONIGCHPKSPBIBB-QFIPXVFZSA-N 1 1 430.499 3.699 20 0 IHADMO CSc1cnc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906585 721707778 /nfs/dbraw/zinc/70/77/78/721707778.db2.gz NBWQWCUQGBYQIW-GOSISDBHSA-N 1 1 425.936 3.985 20 0 IHADMO CSc1cnc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906588 721707978 /nfs/dbraw/zinc/70/79/78/721707978.db2.gz NBWQWCUQGBYQIW-SFHVURJKSA-N 1 1 425.936 3.985 20 0 IHADMO CC(C)(C)NC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906823 721718111 /nfs/dbraw/zinc/71/81/11/721718111.db2.gz ONZDCGREDIHKDX-QHCPKHFHSA-N 1 1 443.542 3.743 20 0 IHADMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccncc2)n1 ZINC001164908082 721723073 /nfs/dbraw/zinc/72/30/73/721723073.db2.gz VHHFDBWETXPXHJ-HSZRJFAPSA-N 1 1 436.510 3.980 20 0 IHADMO C[C@H]1CCCN(c2cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncn2)C1 ZINC001164913077 721731019 /nfs/dbraw/zinc/73/10/19/721731019.db2.gz SFSRCMSPARMSFT-CVDCTZTESA-N 1 1 442.558 3.846 20 0 IHADMO CCOCc1cnc(Cl)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164911540 721759182 /nfs/dbraw/zinc/75/91/82/721759182.db2.gz WNHXIEJYWSPSMQ-UHFFFAOYSA-N 1 1 427.936 3.849 20 0 IHADMO CCOCc1cnc(Cl)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164911540 721759185 /nfs/dbraw/zinc/75/91/85/721759185.db2.gz WNHXIEJYWSPSMQ-UHFFFAOYSA-N 1 1 427.936 3.849 20 0 IHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](OCC3CC3)[C@H]3COC[C@H]32)n1 ZINC001165014955 721763368 /nfs/dbraw/zinc/76/33/68/721763368.db2.gz KEWAQQXJVHSWFE-OTWHNJEPSA-N 1 1 430.618 3.780 20 0 IHADMO CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164911818 721764276 /nfs/dbraw/zinc/76/42/76/721764276.db2.gz SEFDYRDSYJSGQM-UHFFFAOYSA-N 1 1 447.583 3.737 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)N3CCCCC3)C[C@H]21 ZINC001165026601 721801998 /nfs/dbraw/zinc/80/19/98/721801998.db2.gz RKOXILBUFVGOHA-AGILITTLSA-N 1 1 433.600 3.840 20 0 IHADMO COC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025116 721803541 /nfs/dbraw/zinc/80/35/41/721803541.db2.gz NPGLQHFDPVRXFB-QTGUNEKASA-N 1 1 431.540 3.548 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164922212 721836881 /nfs/dbraw/zinc/83/68/81/721836881.db2.gz GEVOPJFWTIXSSU-FBLLAGFSSA-N 1 1 436.604 3.683 20 0 IHADMO COC(=O)c1c[nH]c2nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)ccc12 ZINC001164938926 721924403 /nfs/dbraw/zinc/92/44/03/721924403.db2.gz BZSOWPMXVCNMGA-UHFFFAOYSA-N 1 1 434.540 3.529 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(=O)NC(C)(C)C)cn4)CC3)C2)cc1 ZINC001164940531 721926877 /nfs/dbraw/zinc/92/68/77/721926877.db2.gz SRVQJVSHCXSPLE-UHFFFAOYSA-N 1 1 436.600 3.790 20 0 IHADMO CSc1nc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2s1 ZINC001164939679 721928995 /nfs/dbraw/zinc/92/89/95/721928995.db2.gz OEHXWCPMUUZQDI-UHFFFAOYSA-N 1 1 441.626 3.988 20 0 IHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164946884 721972531 /nfs/dbraw/zinc/97/25/31/721972531.db2.gz YLXQYFJPXHWFEY-UHFFFAOYSA-N 1 1 426.973 3.921 20 0 IHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164946884 721972534 /nfs/dbraw/zinc/97/25/34/721972534.db2.gz YLXQYFJPXHWFEY-UHFFFAOYSA-N 1 1 426.973 3.921 20 0 IHADMO Cc1cccc2c(Cl)nnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c12 ZINC001164946824 721973894 /nfs/dbraw/zinc/97/38/94/721973894.db2.gz WPZAUNALLAXGIP-UHFFFAOYSA-N 1 1 435.959 3.563 20 0 IHADMO Cc1cccc2c(Cl)nnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c12 ZINC001164946824 721973896 /nfs/dbraw/zinc/97/38/96/721973896.db2.gz WPZAUNALLAXGIP-UHFFFAOYSA-N 1 1 435.959 3.563 20 0 IHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164947332 721980910 /nfs/dbraw/zinc/98/09/10/721980910.db2.gz GPQBMXUWSSOIJF-UHFFFAOYSA-N 1 1 438.934 3.998 20 0 IHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164947332 721980911 /nfs/dbraw/zinc/98/09/11/721980911.db2.gz GPQBMXUWSSOIJF-UHFFFAOYSA-N 1 1 438.934 3.998 20 0 IHADMO COC[C@@]12COC[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164954454 721994960 /nfs/dbraw/zinc/99/49/60/721994960.db2.gz VWNWFJFKKHNBHZ-OSPHWJPCSA-N 1 1 442.629 3.655 20 0 IHADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953661 722013701 /nfs/dbraw/zinc/01/37/01/722013701.db2.gz FVKHTSZRMVHCME-UHFFFAOYSA-N 1 1 436.938 3.628 20 0 IHADMO c1nc2c(ncnc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1-c1ccccc1 ZINC001164962649 722023845 /nfs/dbraw/zinc/02/38/45/722023845.db2.gz QLIREHGWBMUUPR-UHFFFAOYSA-N 1 1 425.540 3.703 20 0 IHADMO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ccc(C[N@H+](C)C4CC4)cn2)C3)n1 ZINC001164959845 722027471 /nfs/dbraw/zinc/02/74/71/722027471.db2.gz IYTDQPTZBGDZMJ-AZGAKELHSA-N 1 1 436.600 3.972 20 0 IHADMO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164958206 722029047 /nfs/dbraw/zinc/02/90/47/722029047.db2.gz ODRRCMCZMDJDBA-NLWGTHIKSA-N 1 1 432.927 3.680 20 0 IHADMO FC(F)(Oc1cccc(Cl)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962338 722054445 /nfs/dbraw/zinc/05/44/45/722054445.db2.gz DCGWYDXHRYATHY-UHFFFAOYSA-N 1 1 438.906 3.674 20 0 IHADMO Clc1nc2c(c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n1)CCCCC2 ZINC001164963982 722055030 /nfs/dbraw/zinc/05/50/30/722055030.db2.gz QGPDLNXOOVEGKD-UHFFFAOYSA-N 1 1 442.007 3.913 20 0 IHADMO Cc1nc(C2CC2)nc(Cl)c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962326 722060496 /nfs/dbraw/zinc/06/04/96/722060496.db2.gz QXGQBISQEPRBIH-UHFFFAOYSA-N 1 1 427.980 3.830 20 0 IHADMO Fc1ccc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981654 722103384 /nfs/dbraw/zinc/10/33/84/722103384.db2.gz LUTLSHCEIPORJU-OXJNMPFZSA-N 1 1 427.911 3.545 20 0 IHADMO Fc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974082 722115534 /nfs/dbraw/zinc/11/55/34/722115534.db2.gz ILADKVDEGPLJTI-DOTOQJQBSA-N 1 1 426.870 3.541 20 0 IHADMO C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c23)C1 ZINC001164978208 722115581 /nfs/dbraw/zinc/11/55/81/722115581.db2.gz NVSOQPZQFJSOOP-QFUCXCTJSA-N 1 1 449.624 3.938 20 0 IHADMO Fc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972424 722116523 /nfs/dbraw/zinc/11/65/23/722116523.db2.gz FEOQEWWLGSNNIM-MAUKXSAKSA-N 1 1 426.870 3.541 20 0 IHADMO Clc1cccc(-c2cccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)n1 ZINC001164983235 722119291 /nfs/dbraw/zinc/11/92/91/722119291.db2.gz YRMBKHAGSYDUTJ-DENIHFKCSA-N 1 1 435.959 3.919 20 0 IHADMO Clc1ccccc1-c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973461 722129823 /nfs/dbraw/zinc/12/98/23/722129823.db2.gz CJBOHHNPADFRCT-WMZHIEFXSA-N 1 1 435.959 3.919 20 0 IHADMO Fc1cc2ncnc(Cl)c2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982198 722135791 /nfs/dbraw/zinc/13/57/91/722135791.db2.gz RIMKNBJCUFJTFL-OXQOHEQNSA-N 1 1 427.911 3.545 20 0 IHADMO Clc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(-c2ccccc2)n1 ZINC001164982271 722147521 /nfs/dbraw/zinc/14/75/21/722147521.db2.gz RLQJBLPANDMYBG-RTWAWAEBSA-N 1 1 435.959 3.919 20 0 IHADMO CCN(c1ccccc1)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164973181 722149528 /nfs/dbraw/zinc/14/95/28/722149528.db2.gz BIZWWDOPEXKWFK-VWNXMTODSA-N 1 1 444.583 3.757 20 0 IHADMO Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1-c1ccccc1F ZINC001164971583 722154523 /nfs/dbraw/zinc/15/45/23/722154523.db2.gz BXHSKBXQOMAWTQ-OFNKIYASSA-N 1 1 433.531 3.713 20 0 IHADMO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164998787 722213639 /nfs/dbraw/zinc/21/36/39/722213639.db2.gz XUSRUIZYKYAOHZ-JOCHJYFZSA-N 1 1 431.943 3.654 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165001414 722250012 /nfs/dbraw/zinc/25/00/12/722250012.db2.gz QBLLORIIRXFFNR-OFVILXPXSA-N 1 1 438.572 3.733 20 0 IHADMO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cn2ccc(Br)cc2n1)C(F)(F)F ZINC000685616207 1126106425 /nfs/dbraw/zinc/10/64/25/1126106425.db2.gz CTJWLEWGFZAMEJ-WBVHZDCISA-N 1 1 428.252 3.721 20 0 IHADMO O=C1COC2(C1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164391714 718827692 /nfs/dbraw/zinc/82/76/92/718827692.db2.gz WPBVDMBSHUTOHI-UHFFFAOYSA-N 1 1 440.613 3.884 20 0 IHADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CC(=O)CO5)CC4)c32)C1 ZINC001164389843 718827879 /nfs/dbraw/zinc/82/78/79/718827879.db2.gz JWZPLANWPLUWMM-INIZCTEOSA-N 1 1 440.613 3.740 20 0 IHADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624938 719083881 /nfs/dbraw/zinc/08/38/81/719083881.db2.gz MBXNIYTUALUDDL-MSOLQXFVSA-N 1 1 448.398 3.721 20 0 IHADMO CCOC(=O)c1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1C(=O)OCC ZINC001164621626 719114753 /nfs/dbraw/zinc/11/47/53/719114753.db2.gz AJGDCPDXRUMBDX-PZJWPPBQSA-N 1 1 437.540 3.536 20 0 IHADMO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@@H]3O2)n1 ZINC001164641024 719262793 /nfs/dbraw/zinc/26/27/93/719262793.db2.gz UNTZFNATIVTNDL-TZYHBYERSA-N 1 1 437.588 3.825 20 0 IHADMO COc1ccc(Oc2cc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc(C)n2)cc1 ZINC001164652155 719316786 /nfs/dbraw/zinc/31/67/86/719316786.db2.gz ONEUWYSEBKTNCO-UHFFFAOYSA-N 1 1 436.560 3.988 20 0 IHADMO C[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164667494 719441187 /nfs/dbraw/zinc/44/11/87/719441187.db2.gz HCTIQJBVLWJNFJ-WOJBJXKFSA-N 1 1 429.549 3.940 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001164689860 719736693 /nfs/dbraw/zinc/73/66/93/719736693.db2.gz MLKDCAYZDVHZHM-UHFFFAOYSA-N 1 1 441.737 3.768 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccccc3Cl)nc(C)c1C)CC2 ZINC001164689874 719746730 /nfs/dbraw/zinc/74/67/30/719746730.db2.gz NCFIUIQYDFGPEV-UHFFFAOYSA-N 1 1 427.980 3.595 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CC2 ZINC001164690269 719750624 /nfs/dbraw/zinc/75/06/24/719750624.db2.gz XVHWNUOCDRRUEF-UHFFFAOYSA-N 1 1 449.933 3.523 20 0 IHADMO CCOC(=O)c1cnc(CC)nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692222 719815690 /nfs/dbraw/zinc/81/56/90/719815690.db2.gz ORRNPISVYQCVPT-UHFFFAOYSA-N 1 1 429.590 3.616 20 0 IHADMO c1csc(C[N@H+]2CCOC3(CCN(c4cnc(OCc5ccccc5)cn4)CC3)C2)c1 ZINC001164698259 719896190 /nfs/dbraw/zinc/89/61/90/719896190.db2.gz QLAKEZOXIKHYTN-UHFFFAOYSA-N 1 1 436.581 3.989 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)c1Cl ZINC001164810387 720091458 /nfs/dbraw/zinc/09/14/58/720091458.db2.gz LKFLRHIBODARRX-VFNWGFHPSA-N 1 1 442.387 3.750 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164718608 720107810 /nfs/dbraw/zinc/10/78/10/720107810.db2.gz TWJUNUXSWYPRDP-GHTZIAJQSA-N 1 1 434.943 3.765 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1ccn3C)CC2 ZINC001164718020 720111135 /nfs/dbraw/zinc/11/11/35/720111135.db2.gz QGBZOOYBNGSVRJ-GOSISDBHSA-N 1 1 440.979 3.524 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C3CC3)n1)CC2 ZINC001164716982 720120936 /nfs/dbraw/zinc/12/09/36/720120936.db2.gz MUMBRJRFZYBITI-IBGZPJMESA-N 1 1 427.980 3.910 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3cc(OC)ccc3n1)CC2 ZINC001164715494 720121895 /nfs/dbraw/zinc/12/18/95/720121895.db2.gz GKKFCUVSULLEER-NRFANRHFSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164807956 720121961 /nfs/dbraw/zinc/12/19/61/720121961.db2.gz DASBNKVSPCFUOK-RDPSFJRHSA-N 1 1 442.991 3.894 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164807958 720122019 /nfs/dbraw/zinc/12/20/19/720122019.db2.gz DASBNKVSPCFUOK-YKSBVNFPSA-N 1 1 442.991 3.894 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816430 720124402 /nfs/dbraw/zinc/12/44/02/720124402.db2.gz YSYHSMCSAXKBPB-HFZDXXHNSA-N 1 1 449.574 3.803 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1OCc1ccc(F)cc1)C2 ZINC001164812394 720180034 /nfs/dbraw/zinc/18/00/34/720180034.db2.gz AFVRQBSBZFWQHH-OFVILXPXSA-N 1 1 425.548 3.984 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164815255 720202492 /nfs/dbraw/zinc/20/24/92/720202492.db2.gz XZYSAUMOCIKSAI-QAPCUYQASA-N 1 1 434.795 3.883 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ncc1-c1ccccc1)CCC2 ZINC001164812905 720223612 /nfs/dbraw/zinc/22/36/12/720223612.db2.gz KENHHQPAEHWXFB-UHFFFAOYSA-N 1 1 438.963 3.604 20 0 IHADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164722659 720359223 /nfs/dbraw/zinc/35/92/23/720359223.db2.gz GEXDBJUTIISQED-WOJBJXKFSA-N 1 1 445.958 3.776 20 0 IHADMO c1ccc(CN2CCc3nc(N4CC[C@@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723149 720362714 /nfs/dbraw/zinc/36/27/14/720362714.db2.gz GIBDRPDZTSMBRB-CLJLJLNGSA-N 1 1 425.580 3.888 20 0 IHADMO c1ccc(CN2CCc3nc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723149 720362722 /nfs/dbraw/zinc/36/27/22/720362722.db2.gz GIBDRPDZTSMBRB-CLJLJLNGSA-N 1 1 425.580 3.888 20 0 IHADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725903 720376834 /nfs/dbraw/zinc/37/68/34/720376834.db2.gz ODGHPWBHAZKJOO-MOPGFXCFSA-N 1 1 437.931 3.708 20 0 IHADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164725397 720393893 /nfs/dbraw/zinc/39/38/93/720393893.db2.gz NFNHDCMAVNAZSA-XZOQPEGZSA-N 1 1 428.515 3.867 20 0 IHADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)c1 ZINC001164722582 720407082 /nfs/dbraw/zinc/40/70/82/720407082.db2.gz DNRVXJAHPQTPLW-ROUUACIJSA-N 1 1 426.883 3.705 20 0 IHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164732114 720426888 /nfs/dbraw/zinc/42/68/88/720426888.db2.gz MYTLZSXXJIALQD-ZWKOTPCHSA-N 1 1 436.890 3.705 20 0 IHADMO CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164732114 720426890 /nfs/dbraw/zinc/42/68/90/720426890.db2.gz MYTLZSXXJIALQD-ZWKOTPCHSA-N 1 1 436.890 3.705 20 0 IHADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164727587 720434215 /nfs/dbraw/zinc/43/42/15/720434215.db2.gz DLSZXLFWXDTWLU-ROUUACIJSA-N 1 1 437.569 3.733 20 0 IHADMO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2C)cc1 ZINC001164722429 720471777 /nfs/dbraw/zinc/47/17/77/720471777.db2.gz AJVPYPBSQYLKAI-JWQCQUIFSA-N 1 1 429.568 3.941 20 0 IHADMO C[N@@H+](Cc1ccc(N2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1)C1CC1 ZINC001164730187 720495282 /nfs/dbraw/zinc/49/52/82/720495282.db2.gz SSORTUNUFNGNSY-CPJSRVTESA-N 1 1 440.563 3.539 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1 ZINC001164832938 720503185 /nfs/dbraw/zinc/50/31/85/720503185.db2.gz CAHPQSYBBKNXHW-OLKYXYMISA-N 1 1 440.632 3.872 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833989 720511061 /nfs/dbraw/zinc/51/10/61/720511061.db2.gz DZMBPEZTBLSFNP-QLFBSQMISA-N 1 1 445.345 3.903 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4cccc(F)c43)CC[C@@H]21 ZINC001164840244 720529558 /nfs/dbraw/zinc/52/95/58/720529558.db2.gz SIZJDVXYAWITNO-GJYPPUQNSA-N 1 1 428.943 3.997 20 0 IHADMO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c(Cl)nc2c1 ZINC001164835828 720531999 /nfs/dbraw/zinc/53/19/99/720531999.db2.gz IBUOTFYYULXPDT-CSODHUTKSA-N 1 1 440.979 3.866 20 0 IHADMO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164840671 720542194 /nfs/dbraw/zinc/54/21/94/720542194.db2.gz SMMBVVNLOZTVIK-ZHALLVOQSA-N 1 1 440.979 3.866 20 0 IHADMO COc1cccc(Oc2cncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)n2)c1 ZINC001164836365 720575411 /nfs/dbraw/zinc/57/54/11/720575411.db2.gz JRQLDPKIRBSADP-MIZPHKNDSA-N 1 1 448.571 3.852 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835157 720582154 /nfs/dbraw/zinc/58/21/54/720582154.db2.gz AEIHOZZGMVIGAS-QLFBSQMISA-N 1 1 442.967 3.538 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(Oc4cccc(F)c4)n3)CC[C@@H]21 ZINC001164838715 720582357 /nfs/dbraw/zinc/58/23/57/720582357.db2.gz KZBVJGMHTOLFDZ-CBQOVEMMSA-N 1 1 436.535 3.982 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(Oc4cccc(F)c4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838717 720583856 /nfs/dbraw/zinc/58/38/56/720583856.db2.gz KZBVJGMHTOLFDZ-RCZSKKKRSA-N 1 1 436.535 3.982 20 0 IHADMO COc1ccc(-c2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ncn2)cc1 ZINC001164841220 720613381 /nfs/dbraw/zinc/61/33/81/720613381.db2.gz RSYLFYBKQHHYOJ-YZUZCNPQSA-N 1 1 432.572 3.727 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(F)c(-c4ccsc4)n3)CC[C@@H]21 ZINC001164840805 720640125 /nfs/dbraw/zinc/64/01/25/720640125.db2.gz QUEMCZUFRGQPMV-HBFSDRIKSA-N 1 1 426.565 3.919 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(-c4ccncc4)n3)CC[C@@H]21 ZINC001164835979 720641441 /nfs/dbraw/zinc/64/14/41/720641441.db2.gz DHQLCWGPETZPIL-DYXWJJEUSA-N 1 1 437.979 3.766 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(C(N)=S)c4ccsc43)CC[C@@H]21 ZINC001164843190 720649520 /nfs/dbraw/zinc/64/95/20/720649520.db2.gz URYNYTHQRHCIQK-GJYPPUQNSA-N 1 1 440.642 3.505 20 0 IHADMO Clc1nc(Cl)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)c1Cl ZINC001164736654 720662566 /nfs/dbraw/zinc/66/25/66/720662566.db2.gz AGDMUBPDLGOXHY-NXEZZACHSA-N 1 1 435.142 3.827 20 0 IHADMO Clc1nc(Cl)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)c1Cl ZINC001164736654 720662576 /nfs/dbraw/zinc/66/25/76/720662576.db2.gz AGDMUBPDLGOXHY-NXEZZACHSA-N 1 1 435.142 3.827 20 0 IHADMO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737307 720678510 /nfs/dbraw/zinc/67/85/10/720678510.db2.gz FKFNUQLYUHVCSU-IAGOWNOFSA-N 1 1 431.874 3.565 20 0 IHADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740047 720680378 /nfs/dbraw/zinc/68/03/78/720680378.db2.gz PGPFRTDKXBLREF-IAGOWNOFSA-N 1 1 431.874 3.565 20 0 IHADMO CC1CCN(c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)CC1 ZINC001164836955 720713324 /nfs/dbraw/zinc/71/33/24/720713324.db2.gz CBMGATFRWUZTQB-QHCPKHFHSA-N 1 1 435.616 3.973 20 0 IHADMO C[C@@H]1CCCN(c2cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ncn2)C1 ZINC001164838279 720721460 /nfs/dbraw/zinc/72/14/60/720721460.db2.gz HTTDXJXMSIRJFP-FYYLOGMGSA-N 1 1 435.616 3.973 20 0 IHADMO COc1cc(OC)c2ncnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164839883 720728029 /nfs/dbraw/zinc/72/80/29/720728029.db2.gz NZFMGGQUIPNLOQ-HXUWFJFHSA-N 1 1 448.567 3.907 20 0 IHADMO 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Clc1cccc(-c2cccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)n1 ZINC001164738427 720829767 /nfs/dbraw/zinc/82/97/67/720829767.db2.gz FRIZKILCJJNCPZ-CNNODRBYSA-N 1 1 449.990 3.768 20 0 IHADMO c1cn(C2CCCC2)c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164741274 720831967 /nfs/dbraw/zinc/83/19/67/720831967.db2.gz DWLPURATVGOJAE-KJXAQDMKSA-N 1 1 446.603 3.517 20 0 IHADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743858 720857877 /nfs/dbraw/zinc/85/78/77/720857877.db2.gz AHHSXJGGQFLVTK-MZLICYQSSA-N 1 1 447.562 3.562 20 0 IHADMO Fc1cccc2c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164745492 720858623 /nfs/dbraw/zinc/85/86/23/720858623.db2.gz DUHIUHBFLYLRSJ-ABSDTBQOSA-N 1 1 440.954 3.998 20 0 IHADMO Clc1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C2CC2)n1 ZINC001164753027 720859071 /nfs/dbraw/zinc/85/90/71/720859071.db2.gz VGDLKCFGHZPTMF-GVDBMIGSSA-N 1 1 448.402 3.632 20 0 IHADMO Clc1cc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164751672 720873194 /nfs/dbraw/zinc/87/31/94/720873194.db2.gz LVBVMHWWOKLVPA-PGRDOPGGSA-N 1 1 448.398 3.934 20 0 IHADMO CCc1ncnc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748481 720875050 /nfs/dbraw/zinc/87/50/50/720875050.db2.gz FHLCMQRGPPRMER-YKSBVNFPSA-N 1 1 442.007 3.843 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)CC[C@H]2C1 ZINC001164861643 720881799 /nfs/dbraw/zinc/88/17/99/720881799.db2.gz PWHLKAMDILYOCM-AZGAKELHSA-N 1 1 444.579 3.984 20 0 IHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ncnc4c2CCCC4)C3)c1 ZINC001164756279 720885512 /nfs/dbraw/zinc/88/55/12/720885512.db2.gz PBDDNIGDCVRPQS-ATIYNZHBSA-N 1 1 433.600 3.506 20 0 IHADMO COc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753203 720886420 /nfs/dbraw/zinc/88/64/20/720886420.db2.gz GCYLNCYKYCLMJD-YKSBVNFPSA-N 1 1 442.991 3.894 20 0 IHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4cccnc4n2)C3)c1 ZINC001164756927 720887051 /nfs/dbraw/zinc/88/70/51/720887051.db2.gz SGTPERRTHYFANI-JYFHCDHNSA-N 1 1 429.568 3.780 20 0 IHADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001164863674 720889755 /nfs/dbraw/zinc/88/97/55/720889755.db2.gz TYUCYJBBJPKUKF-WIYYLYMNSA-N 1 1 446.979 3.658 20 0 IHADMO CSc1cc(C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754957 720889840 /nfs/dbraw/zinc/88/98/40/720889840.db2.gz JXQPKTFTCCMPEE-ZJSXRUAMSA-N 1 1 439.629 3.657 20 0 IHADMO Cc1nc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164757458 720891362 /nfs/dbraw/zinc/89/13/62/720891362.db2.gz UZQKPJVFSRAGDN-ZJSXRUAMSA-N 1 1 442.007 3.897 20 0 IHADMO CCCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)n1 ZINC001164756853 720897374 /nfs/dbraw/zinc/89/73/74/720897374.db2.gz RQJAXMKQFKKOTB-OZXSUGGESA-N 1 1 435.616 3.888 20 0 IHADMO C[C@@H]1CCc2nnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2C1 ZINC001164754231 720928352 /nfs/dbraw/zinc/92/83/52/720928352.db2.gz UVXOPIFHQXINEY-WMVAVLGLSA-N 1 1 447.627 3.752 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)[C@H]2C ZINC001164862444 720975291 /nfs/dbraw/zinc/97/52/91/720975291.db2.gz SNEHUVWFNVRVIX-ZDUSSCGKSA-N 1 1 435.910 3.841 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)C[C@H]3C2)cn1 ZINC001164771600 721081703 /nfs/dbraw/zinc/08/17/03/721081703.db2.gz SGGNPMPLCOWENM-JKSUJKDBSA-N 1 1 432.906 3.520 20 0 IHADMO Clc1cc2c(Cl)ccnc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865182 721083700 /nfs/dbraw/zinc/08/37/00/721083700.db2.gz JLCFOWLQEXYGRA-CVEARBPZSA-N 1 1 430.339 3.811 20 0 IHADMO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164878502 721162559 /nfs/dbraw/zinc/16/25/59/721162559.db2.gz QHRRXRYWPKZLIJ-RTBURBONSA-N 1 1 439.922 3.811 20 0 IHADMO CSc1ccc(Oc2cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)ncn2)cc1 ZINC001164768693 721178289 /nfs/dbraw/zinc/17/82/89/721178289.db2.gz LOQBZSXKRLMVTP-OALUTQOASA-N 1 1 436.585 3.683 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)Oc4cc(Cl)nc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164763287 721239923 /nfs/dbraw/zinc/23/99/23/721239923.db2.gz NDYPMLJZLYKKDO-KGLIPLIRSA-N 1 1 432.302 3.505 20 0 IHADMO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164770253 721292784 /nfs/dbraw/zinc/29/27/84/721292784.db2.gz QNDGGLMQQRXGJT-UHFFFAOYSA-N 1 1 434.968 3.788 20 0 IHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC(N(C)C)=NO3)CC2)n1 ZINC001164874099 721327180 /nfs/dbraw/zinc/32/71/80/721327180.db2.gz GKGHMFZOCICKSA-UHFFFAOYSA-N 1 1 430.622 3.784 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4sccc43)C2)C1 ZINC001164777009 721330129 /nfs/dbraw/zinc/33/01/29/721330129.db2.gz JXPULHAGIYXWDG-QFIPXVFZSA-N 1 1 427.574 3.724 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4sccc43)C2)C1 ZINC001164777008 721331042 /nfs/dbraw/zinc/33/10/42/721331042.db2.gz JXPULHAGIYXWDG-JOCHJYFZSA-N 1 1 427.574 3.724 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4[nH]ccc43)C2)C1 ZINC001164779094 721340730 /nfs/dbraw/zinc/34/07/30/721340730.db2.gz QUDAEZDYWWIJEV-JOCHJYFZSA-N 1 1 429.952 3.940 20 0 IHADMO COc1ccc2nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)ccc2c1 ZINC001164778187 721344717 /nfs/dbraw/zinc/34/47/17/721344717.db2.gz KGXSTDPLWWNDKX-VWLOTQADSA-N 1 1 436.556 3.967 20 0 IHADMO CSc1nc(Cl)ncc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779236 721350905 /nfs/dbraw/zinc/35/09/05/721350905.db2.gz RMZFAFQVHBRFJV-FQEVSTJZSA-N 1 1 437.997 3.576 20 0 IHADMO CSc1nc(Cl)ncc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779236 721350906 /nfs/dbraw/zinc/35/09/06/721350906.db2.gz RMZFAFQVHBRFJV-FQEVSTJZSA-N 1 1 437.997 3.576 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(C(=O)c4ccccc4)C[C@@H]3C2)nc1 ZINC001164888625 721352599 /nfs/dbraw/zinc/35/25/99/721352599.db2.gz XQHFHOQYMGAILI-SDHSZQHLSA-N 1 1 448.611 3.996 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccoc43)C2)C1 ZINC001164787006 721359705 /nfs/dbraw/zinc/35/97/05/721359705.db2.gz WVEGGUJTZCZXNE-NRFANRHFSA-N 1 1 431.924 3.600 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(-c4ccccc4)cn3)C2)C1 ZINC001164787112 721366434 /nfs/dbraw/zinc/36/64/34/721366434.db2.gz ZGFJHJZNIHOVFK-VWLOTQADSA-N 1 1 433.556 3.867 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(-c4ccccc4)cn3)C2)C1 ZINC001164787112 721366437 /nfs/dbraw/zinc/36/64/37/721366437.db2.gz ZGFJHJZNIHOVFK-VWLOTQADSA-N 1 1 433.556 3.867 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(Cl)cc5)nn4)C3)O2)CC1 ZINC001164888556 721389508 /nfs/dbraw/zinc/38/95/08/721389508.db2.gz KBWADQRUUPNJKA-ZJSXRUAMSA-N 1 1 442.007 3.562 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ncc4-c4ccccc4)C3)O2)CC1 ZINC001164893007 721413253 /nfs/dbraw/zinc/41/32/53/721413253.db2.gz ZVKOTZAHXBKDFK-HYBUGGRVSA-N 1 1 442.007 3.562 20 0 IHADMO Fc1ccc(Cn2ccc3c2ncnc3N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164783248 721414121 /nfs/dbraw/zinc/41/41/21/721414121.db2.gz HPVKUKKCKQNHMM-HDICACEKSA-N 1 1 434.544 3.643 20 0 IHADMO Fc1ccc(Cn2ccc3c2ncnc3N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164783248 721414122 /nfs/dbraw/zinc/41/41/22/721414122.db2.gz HPVKUKKCKQNHMM-HDICACEKSA-N 1 1 434.544 3.643 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5cccc(Cl)c5)nn4)C3)O2)CC1 ZINC001164899975 721435041 /nfs/dbraw/zinc/43/50/41/721435041.db2.gz ZRUAUZYNDDLBKE-URXFXBBRSA-N 1 1 442.007 3.562 20 0 IHADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)c1 ZINC001164897994 721438679 /nfs/dbraw/zinc/43/86/79/721438679.db2.gz VIABOXNUOBDOJI-BKMJKUGQSA-N 1 1 435.616 3.526 20 0 IHADMO CC(C)c1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164895759 721441529 /nfs/dbraw/zinc/44/15/29/721441529.db2.gz PGPYQYHZGMLIEI-NLFFAJNJSA-N 1 1 429.653 3.663 20 0 IHADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164886471 721453952 /nfs/dbraw/zinc/45/39/52/721453952.db2.gz GRHRCXWITMVOAM-YKSBVNFPSA-N 1 1 445.007 3.662 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3ccc(F)cc3n1)CC2 ZINC001164783521 721457884 /nfs/dbraw/zinc/45/78/84/721457884.db2.gz DHCGURATNZQHTD-HXUWFJFHSA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3scc(C)c3n1)CC2 ZINC001164787858 721464480 /nfs/dbraw/zinc/46/44/80/721464480.db2.gz SRBOXBIJSVCFBF-LJQANCHMSA-N 1 1 430.618 3.734 20 0 IHADMO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795754 721499095 /nfs/dbraw/zinc/49/90/95/721499095.db2.gz LTAMIVFDCJCGGL-UHFFFAOYSA-N 1 1 437.922 3.960 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ncc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799896 721539346 /nfs/dbraw/zinc/53/93/46/721539346.db2.gz BRJRCBAZQULULG-ARFHVFGLSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ncc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799896 721539351 /nfs/dbraw/zinc/53/93/51/721539351.db2.gz BRJRCBAZQULULG-ARFHVFGLSA-N 1 1 444.313 3.592 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CC[N@H+]3C2)c1 ZINC001164911946 721539809 /nfs/dbraw/zinc/53/98/09/721539809.db2.gz XPLRLEUPOJAHAH-TZIWHRDSSA-N 1 1 430.955 3.812 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(F)c32)[C@@H]2CCCO[C@@H]12 ZINC001164807780 721545021 /nfs/dbraw/zinc/54/50/21/721545021.db2.gz RGBKKEIPFMCZPT-QWFCFKBJSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(F)c32)[C@@H]2CCCO[C@@H]12 ZINC001164807780 721545024 /nfs/dbraw/zinc/54/50/24/721545024.db2.gz RGBKKEIPFMCZPT-QWFCFKBJSA-N 1 1 427.911 3.686 20 0 IHADMO COC(=O)C[C@H](c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1)C1CC1 ZINC001164911270 721550856 /nfs/dbraw/zinc/55/08/56/721550856.db2.gz YMXSYHNTPSTZJM-WWNPGLIZSA-N 1 1 439.531 3.619 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3c[nH]c4ccccc34)n2)[C@@H]2CCCO[C@@H]12 ZINC001164807844 721551972 /nfs/dbraw/zinc/55/19/72/721551972.db2.gz RNUCHSBOLWRCJN-UBFVSLLYSA-N 1 1 440.551 3.888 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(-c3c[nH]c4ccccc34)n2)[C@@H]2CCCO[C@@H]12 ZINC001164807844 721551975 /nfs/dbraw/zinc/55/19/75/721551975.db2.gz RNUCHSBOLWRCJN-UBFVSLLYSA-N 1 1 440.551 3.888 20 0 IHADMO COc1cccc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c21 ZINC001164807373 721559114 /nfs/dbraw/zinc/55/91/14/721559114.db2.gz SVLXUGNUEBYHPW-WFXMLNOXSA-N 1 1 439.947 3.555 20 0 IHADMO COc1cccc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c21 ZINC001164807373 721559121 /nfs/dbraw/zinc/55/91/21/721559121.db2.gz SVLXUGNUEBYHPW-WFXMLNOXSA-N 1 1 439.947 3.555 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[N@H+]3C2)c1 ZINC001164908654 721561165 /nfs/dbraw/zinc/56/11/65/721561165.db2.gz RKJITXGOXGMAAB-PZJWPPBQSA-N 1 1 431.515 3.508 20 0 IHADMO Cc1nc(C)c(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)s1 ZINC001164903598 721562205 /nfs/dbraw/zinc/56/22/05/721562205.db2.gz CWSXVIKLUDOFCG-IEBWSBKVSA-N 1 1 425.533 3.698 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164800102 721582362 /nfs/dbraw/zinc/58/23/62/721582362.db2.gz BYOXIENVKBLMBI-XUVXKRRUSA-N 1 1 425.483 3.831 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164800102 721582364 /nfs/dbraw/zinc/58/23/64/721582364.db2.gz BYOXIENVKBLMBI-XUVXKRRUSA-N 1 1 425.483 3.831 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2F)[C@H]2CCCO[C@@H]12 ZINC001164807505 721582837 /nfs/dbraw/zinc/58/28/37/721582837.db2.gz OHVQEDQUEKKOSE-CZTZKLFOSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(F)cc3)n2)[C@H]2CCCO[C@H]12 ZINC001164810232 721582934 /nfs/dbraw/zinc/58/29/34/721582934.db2.gz VJRXVVKFIOMMCL-XJUOHMSHSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(F)cc3)n2)[C@H]2CCCO[C@H]12 ZINC001164810232 721582937 /nfs/dbraw/zinc/58/29/37/721582937.db2.gz VJRXVVKFIOMMCL-XJUOHMSHSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3c(F)cccc3F)nn2)[C@@H]2CCCO[C@H]21 ZINC001164810142 721583657 /nfs/dbraw/zinc/58/36/57/721583657.db2.gz UNQNTWKXIPXUHQ-PQNGQFLHSA-N 1 1 437.494 3.685 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3c(F)cccc3F)nn2)[C@@H]2CCCO[C@H]21 ZINC001164810142 721583659 /nfs/dbraw/zinc/58/36/59/721583659.db2.gz UNQNTWKXIPXUHQ-PQNGQFLHSA-N 1 1 437.494 3.685 20 0 IHADMO Cc1c(Cl)nc(CC(C)C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808074 721588106 /nfs/dbraw/zinc/58/81/06/721588106.db2.gz PVAARGCHZQMUPL-DYXWJJEUSA-N 1 1 429.996 3.900 20 0 IHADMO c1nc(COCC2CC2)c2n1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164799041 721599836 /nfs/dbraw/zinc/59/98/36/721599836.db2.gz ILOVDDCINKKVDD-UHFFFAOYSA-N 1 1 429.568 3.783 20 0 IHADMO CCOC(=O)c1cc(C)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908014 721691651 /nfs/dbraw/zinc/69/16/51/721691651.db2.gz YACQGCUHPFRXBC-QFIPXVFZSA-N 1 1 430.499 3.699 20 0 IHADMO CC1(C)OC(=O)c2c1ccnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904963 721700344 /nfs/dbraw/zinc/70/03/44/721700344.db2.gz INEURPAPDDBUCE-QFIPXVFZSA-N 1 1 428.483 3.620 20 0 IHADMO F[C@H](Oc1ccc(Cl)nc1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907811 721704072 /nfs/dbraw/zinc/70/40/72/721704072.db2.gz UJLLHMRJZFDVFQ-OALUTQOASA-N 1 1 426.870 3.995 20 0 IHADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cccc3c(Cl)nccc32)CC1 ZINC001165009423 721742294 /nfs/dbraw/zinc/74/22/94/721742294.db2.gz CMTZILDMTQYDJZ-UHFFFAOYSA-N 1 1 436.934 3.956 20 0 IHADMO COC(=O)c1cc2ccncc2nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164909561 721756559 /nfs/dbraw/zinc/75/65/59/721756559.db2.gz HXZRNQOGBJXLBF-UHFFFAOYSA-N 1 1 443.507 3.599 20 0 IHADMO COC(=O)c1cc2ccncc2nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164909561 721756561 /nfs/dbraw/zinc/75/65/61/721756561.db2.gz HXZRNQOGBJXLBF-UHFFFAOYSA-N 1 1 443.507 3.599 20 0 IHADMO Fc1ccc2nc(Cl)cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912977 721775191 /nfs/dbraw/zinc/77/51/91/721775191.db2.gz SMCJPDAQIJDQOI-QHCPKHFHSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1ccc2nc(Cl)cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912977 721775192 /nfs/dbraw/zinc/77/51/92/721775192.db2.gz SMCJPDAQIJDQOI-QHCPKHFHSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1ccc2cc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912734 721775491 /nfs/dbraw/zinc/77/54/91/721775491.db2.gz PANBYAIRKFVPLE-HSZRJFAPSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1ccc2cc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912734 721775495 /nfs/dbraw/zinc/77/54/95/721775495.db2.gz PANBYAIRKFVPLE-HSZRJFAPSA-N 1 1 442.922 3.530 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)C[C@H]21 ZINC001165026341 721804749 /nfs/dbraw/zinc/80/47/49/721804749.db2.gz QUPWMBYMEKBIPB-DFQSSKMNSA-N 1 1 438.576 3.956 20 0 IHADMO Cc1cnc2n1CCN(C)C21CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001164917466 721814153 /nfs/dbraw/zinc/81/41/53/721814153.db2.gz OVJLFGDWSULYRH-UHFFFAOYSA-N 1 1 442.611 3.586 20 0 IHADMO COc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c(OC)c1 ZINC001165029640 721815059 /nfs/dbraw/zinc/81/50/59/721815059.db2.gz ZWRUZLRXUQQTJM-WEYGHZABSA-N 1 1 433.556 3.779 20 0 IHADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH]c-2n1 ZINC001165021662 721818279 /nfs/dbraw/zinc/81/82/79/721818279.db2.gz FUJMDRBWVPEEQT-VCOUNFBDSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2[nH]1 ZINC001165021662 721818281 /nfs/dbraw/zinc/81/82/81/721818281.db2.gz FUJMDRBWVPEEQT-VCOUNFBDSA-N 1 1 433.556 3.872 20 0 IHADMO CCOC(=O)c1cc2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2[nH]1 ZINC001165021662 721818282 /nfs/dbraw/zinc/81/82/82/721818282.db2.gz FUJMDRBWVPEEQT-VCOUNFBDSA-N 1 1 433.556 3.872 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@H]21 ZINC001165019097 721824260 /nfs/dbraw/zinc/82/42/60/721824260.db2.gz AVYRMKNCIKWDPC-NUEKZKHPSA-N 1 1 447.921 3.635 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cnc(Cl)nc2)CC1 ZINC001165021275 721839044 /nfs/dbraw/zinc/83/90/44/721839044.db2.gz KNTDHWPJIDPCRO-UHFFFAOYSA-N 1 1 426.895 3.793 20 0 IHADMO CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@H]2CC[N@H+]4CCN(C)C)n1)CCCC3 ZINC001164930920 721879705 /nfs/dbraw/zinc/87/97/05/721879705.db2.gz DJMNYONDOZMQFG-DLBZAZTESA-N 1 1 431.675 3.648 20 0 IHADMO CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@H]2CCN4CC[NH+](C)C)n1)CCCC3 ZINC001164930920 721879706 /nfs/dbraw/zinc/87/97/06/721879706.db2.gz DJMNYONDOZMQFG-DLBZAZTESA-N 1 1 431.675 3.648 20 0 IHADMO COC(=O)c1ccc(Cl)c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940978 721927177 /nfs/dbraw/zinc/92/71/77/721927177.db2.gz XRHDBBLCGALFIT-UHFFFAOYSA-N 1 1 429.948 3.701 20 0 IHADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(-c5cccnc5F)n4)CC3)C2)cc1 ZINC001164940199 721928914 /nfs/dbraw/zinc/92/89/14/721928914.db2.gz RNRHRACCJWDKFI-UHFFFAOYSA-N 1 1 433.531 3.858 20 0 IHADMO Cc1ccc(CN2CCOC3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)CC3)C2)cc1 ZINC001164939919 721929578 /nfs/dbraw/zinc/92/95/78/721929578.db2.gz OWZYXTSRQYHNOS-UHFFFAOYSA-N 1 1 426.992 3.561 20 0 IHADMO CC(C)(C)c1cc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2s1 ZINC001164946915 721971150 /nfs/dbraw/zinc/97/11/50/721971150.db2.gz ZBRHRSGXNCBXDE-UHFFFAOYSA-N 1 1 449.624 3.960 20 0 IHADMO CC(C)(C)c1cc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2s1 ZINC001164946915 721971153 /nfs/dbraw/zinc/97/11/53/721971153.db2.gz ZBRHRSGXNCBXDE-UHFFFAOYSA-N 1 1 449.624 3.960 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945935 721976516 /nfs/dbraw/zinc/97/65/16/721976516.db2.gz HIDCJMUDBCSWNM-UHFFFAOYSA-N 1 1 441.535 3.655 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945935 721976520 /nfs/dbraw/zinc/97/65/20/721976520.db2.gz HIDCJMUDBCSWNM-UHFFFAOYSA-N 1 1 441.535 3.655 20 0 IHADMO CC[NH+](CC)C1CCN(c2cc(NS(=O)(=O)c3ccc(Cl)nc3)ccc2F)CC1 ZINC001165054582 722006686 /nfs/dbraw/zinc/00/66/86/722006686.db2.gz RZMFOHIENRSYOQ-UHFFFAOYSA-N 1 1 440.972 3.986 20 0 IHADMO COC(=O)c1cc2c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)[nH]c(Cl)cc-2n1 ZINC001164955639 722020191 /nfs/dbraw/zinc/02/01/91/722020191.db2.gz LOQNDJNWYYEYCK-UHFFFAOYSA-N 1 1 439.947 3.890 20 0 IHADMO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2)C1 ZINC001164955653 722021701 /nfs/dbraw/zinc/02/17/01/722021701.db2.gz MCVZFRXUQCACRE-NRFANRHFSA-N 1 1 433.600 3.841 20 0 IHADMO Clc1nnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c2sccc21 ZINC001164958104 722054143 /nfs/dbraw/zinc/05/41/43/722054143.db2.gz CKUPJCWYCVOUAR-UHFFFAOYSA-N 1 1 429.977 3.859 20 0 IHADMO COc1cc2cnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cc2cc1OC ZINC001164960031 722060464 /nfs/dbraw/zinc/06/04/64/722060464.db2.gz DLPPMEKMJFVHDL-UHFFFAOYSA-N 1 1 448.567 3.766 20 0 IHADMO COc1cc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ccc2c(OC)c1 ZINC001164966627 722062182 /nfs/dbraw/zinc/06/21/82/722062182.db2.gz WBEHGAKGAJKFOR-UHFFFAOYSA-N 1 1 448.567 3.766 20 0 IHADMO c1cc2c(nc(C3CCC3)nc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)[nH]1 ZINC001164966436 722062407 /nfs/dbraw/zinc/06/24/07/722062407.db2.gz STJHNERHKQNIHY-UHFFFAOYSA-N 1 1 432.572 3.739 20 0 IHADMO Fc1cc2nc(Cl)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1F ZINC001164972448 722111402 /nfs/dbraw/zinc/11/14/02/722111402.db2.gz FOOIHDUAFFRFNW-MGPUTAFESA-N 1 1 445.901 3.684 20 0 IHADMO Fc1cc2nc(Cl)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1F ZINC001164972449 722111745 /nfs/dbraw/zinc/11/17/45/722111745.db2.gz FOOIHDUAFFRFNW-QRWLVFNGSA-N 1 1 445.901 3.684 20 0 IHADMO Fc1cccc2c1nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979081 722112025 /nfs/dbraw/zinc/11/20/25/722112025.db2.gz OVEZCMFCTBVJKU-LPHOPBHVSA-N 1 1 427.911 3.545 20 0 IHADMO Clc1cccc(-c2cccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164983240 722119042 /nfs/dbraw/zinc/11/90/42/722119042.db2.gz YRMBKHAGSYDUTJ-UGKGYDQZSA-N 1 1 435.959 3.919 20 0 IHADMO Clc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(-c2ccccc2)nn1 ZINC001164974941 722119377 /nfs/dbraw/zinc/11/93/77/722119377.db2.gz JDCXVOVTFKSODJ-IRLDBZIGSA-N 1 1 435.959 3.919 20 0 IHADMO c1ccc(COc2cccnc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164980361 722138975 /nfs/dbraw/zinc/13/89/75/722138975.db2.gz NEWMOPWEBAHPAD-ZCYQVOJMSA-N 1 1 430.552 3.783 20 0 IHADMO Cc1ccc(C)c(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164983276 722145658 /nfs/dbraw/zinc/14/56/58/722145658.db2.gz SXGIPLRESGPSRA-WIOPSUGQSA-N 1 1 429.568 3.883 20 0 IHADMO Fc1ccc(Oc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164984206 722146459 /nfs/dbraw/zinc/14/64/59/722146459.db2.gz WJPACMMWSPHWGY-UGKGYDQZSA-N 1 1 435.503 3.530 20 0 IHADMO Fc1ccc(COc2cccnc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164983796 722147244 /nfs/dbraw/zinc/14/72/44/722147244.db2.gz UXZKQHOMRKTZCY-RCZVLFRGSA-N 1 1 448.542 3.922 20 0 IHADMO c1ccc(CSc2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164985449 722149699 /nfs/dbraw/zinc/14/96/99/722149699.db2.gz ZNJRUWMAGVCANO-DHIUTWEWSA-N 1 1 447.608 3.891 20 0 IHADMO c1ccc(CSc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164973345 722151225 /nfs/dbraw/zinc/15/12/25/722151225.db2.gz BTGYXFCQXZILRI-XZOQPEGZSA-N 1 1 447.608 3.891 20 0 IHADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971655 722153139 /nfs/dbraw/zinc/15/31/39/722153139.db2.gz CNHGMVMJGSEIKN-VQTJNVASSA-N 1 1 429.996 3.759 20 0 IHADMO Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1-c1ccccc1F ZINC001164971581 722154811 /nfs/dbraw/zinc/15/48/11/722154811.db2.gz BXHSKBXQOMAWTQ-NZQKXSOJSA-N 1 1 433.531 3.713 20 0 IHADMO FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975295 722158834 /nfs/dbraw/zinc/15/88/34/722158834.db2.gz RPQGSBXPHICOFZ-DYESRHJHSA-N 1 1 448.945 3.891 20 0 IHADMO CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ccc([C@H]3CCCC[N@H+]3CC)cn1)CC2 ZINC001164992023 722187711 /nfs/dbraw/zinc/18/77/11/722187711.db2.gz RJAYRBZAFDBUCA-FGZHOGPDSA-N 1 1 428.621 3.730 20 0 IHADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164998507 722213438 /nfs/dbraw/zinc/21/34/38/722213438.db2.gz WHCBRLLSXUCHBA-IVZQSRNASA-N 1 1 432.927 3.791 20 0 IHADMO Cc1ccccc1-c1nc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)no1 ZINC001171949493 1126148679 /nfs/dbraw/zinc/14/86/79/1126148679.db2.gz TWHRLGOEYPTOCU-NRFANRHFSA-N 1 1 428.330 3.817 20 0 IHADMO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC001198219221 1126154802 /nfs/dbraw/zinc/15/48/02/1126154802.db2.gz MRGCOCXIMXSGOM-QGZVFWFLSA-N 1 1 426.311 3.783 20 0 IHADMO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1nc2cc(Br)ccc2[nH]1)C(F)(F)F ZINC001460687111 1126191481 /nfs/dbraw/zinc/19/14/81/1126191481.db2.gz CVNWTENEGADHKU-WBVHZDCISA-N 1 1 428.252 3.950 20 0 IHADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4C[C@@H](c5nc(C6CC6)cs5)O[C@@H]4C3)c2)CC1 ZINC001164649385 719290794 /nfs/dbraw/zinc/29/07/94/719290794.db2.gz WNDUBFGNCJHAPZ-ORYQWCPZSA-N 1 1 426.586 3.855 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)n1 ZINC001164645011 719293612 /nfs/dbraw/zinc/29/36/12/719293612.db2.gz AEDCSKOXDRLGGK-VWPQPMDRSA-N 1 1 428.964 3.679 20 0 IHADMO CC(C)n1nc(CN(C)C)c2c1CN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164648707 719311937 /nfs/dbraw/zinc/31/19/37/719311937.db2.gz KQBPEYXVVCRBJC-UHFFFAOYSA-N 1 1 429.572 3.881 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)CC3CC3)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164654658 719326391 /nfs/dbraw/zinc/32/63/91/719326391.db2.gz MNQCIVGRCCCSSL-NZCWTCFWSA-N 1 1 440.632 3.919 20 0 IHADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@H]4[C@H]3CC[C@@H]4OCC3CCCC3)C2)cc1 ZINC001164662770 719343029 /nfs/dbraw/zinc/34/30/29/719343029.db2.gz RXAMWLSLWILFBC-ZNZIZOMTSA-N 1 1 448.611 3.978 20 0 IHADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@H]4[C@H]3CC[C@@H]4OCC3CCCC3)C2)cc1 ZINC001164662770 719343033 /nfs/dbraw/zinc/34/30/33/719343033.db2.gz RXAMWLSLWILFBC-ZNZIZOMTSA-N 1 1 448.611 3.978 20 0 IHADMO COc1cc(Oc2ccnc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2)ccc1OCc1ccccc1 ZINC001164674277 719421194 /nfs/dbraw/zinc/42/11/94/719421194.db2.gz VQRQDXBQLQQPKK-RDGATRHJSA-N 1 1 447.535 3.981 20 0 IHADMO C[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164670173 719443791 /nfs/dbraw/zinc/44/37/91/719443791.db2.gz NRMHWYUMYSIPGM-UXHICEINSA-N 1 1 429.549 3.940 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164683750 719727824 /nfs/dbraw/zinc/72/78/24/719727824.db2.gz FXQYQSHDGAKNIQ-UHFFFAOYSA-N 1 1 449.933 3.523 20 0 IHADMO COC(=O)c1ccc2ncnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2c1 ZINC001164692394 719805373 /nfs/dbraw/zinc/80/53/73/719805373.db2.gz NVTZAYQSXWMFLZ-UHFFFAOYSA-N 1 1 437.569 3.816 20 0 IHADMO Cc1nc(CN2CCCC23CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)cs1 ZINC001164691538 719812339 /nfs/dbraw/zinc/81/23/39/719812339.db2.gz GOKSYVCJFPDRPP-UHFFFAOYSA-N 1 1 441.645 3.956 20 0 IHADMO COc1cc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c(OC)c1 ZINC001164697108 719893584 /nfs/dbraw/zinc/89/35/84/719893584.db2.gz JTXCGGPAJZKPRP-UHFFFAOYSA-N 1 1 440.569 3.580 20 0 IHADMO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696229 719895942 /nfs/dbraw/zinc/89/59/42/719895942.db2.gz CTFFLKYNDWZKLG-AATRIKPKSA-N 1 1 427.570 3.509 20 0 IHADMO c1csc(C[N@H+]2CCOC3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)CC3)C2)c1 ZINC001164707680 719900505 /nfs/dbraw/zinc/90/05/05/719900505.db2.gz UUMZRQAFFBDTRE-UHFFFAOYSA-N 1 1 447.608 3.960 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164717334 720115383 /nfs/dbraw/zinc/11/53/83/720115383.db2.gz NGFWDUXCIMLNMD-IBGZPJMESA-N 1 1 442.007 3.911 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164718044 720117380 /nfs/dbraw/zinc/11/73/80/720117380.db2.gz QVINMTQAFCHCEB-GHTZIAJQSA-N 1 1 434.943 3.765 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164718570 720117632 /nfs/dbraw/zinc/11/76/32/720117632.db2.gz SLQAGRJHVJVGRS-RXVVDRJESA-N 1 1 434.943 3.765 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3Cc1ccccc1)C2 ZINC001164807331 720126446 /nfs/dbraw/zinc/12/64/46/720126446.db2.gz BXRUXGFHBLCELC-BKMJKUGQSA-N 1 1 431.584 3.664 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164714019 720128181 /nfs/dbraw/zinc/12/81/81/720128181.db2.gz VKXFCZHWZHDQKE-KRWDZBQOSA-N 1 1 427.936 3.779 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)OC(C)C)CC2 ZINC001164711754 720152638 /nfs/dbraw/zinc/15/26/38/720152638.db2.gz JSHACBZPFKBTIN-NRFANRHFSA-N 1 1 438.572 3.549 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164817846 720177305 /nfs/dbraw/zinc/17/73/05/720177305.db2.gz QKMCGVGTBUGGNE-ZEQKJWHPSA-N 1 1 435.568 3.623 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164816369 720189812 /nfs/dbraw/zinc/18/98/12/720189812.db2.gz LDGPTVXSGGBWLV-CYFREDJKSA-N 1 1 435.597 3.938 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc(Cl)c1)CCC2 ZINC001164810739 720210933 /nfs/dbraw/zinc/21/09/33/720210933.db2.gz CKTBXDYFSCJTCT-UHFFFAOYSA-N 1 1 446.329 3.741 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)ncc1Cl)CCC2 ZINC001164815500 720213226 /nfs/dbraw/zinc/21/32/26/720213226.db2.gz ZZZQIRHAJAIGRL-UHFFFAOYSA-N 1 1 446.329 3.741 20 0 IHADMO COc1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c2cc(Cl)ccc12 ZINC001164814785 720224162 /nfs/dbraw/zinc/22/41/62/720224162.db2.gz ZBGKXYFPRWXWCS-UHFFFAOYSA-N 1 1 441.963 3.704 20 0 IHADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001164725394 720394205 /nfs/dbraw/zinc/39/42/05/720394205.db2.gz NFNHDCMAVNAZSA-DHIUTWEWSA-N 1 1 428.515 3.867 20 0 IHADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c2[nH]cnc21 ZINC001164733603 720428224 /nfs/dbraw/zinc/42/82/24/720428224.db2.gz PYFRQYBBNLVEEY-QZTJIDSGSA-N 1 1 435.532 3.553 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cncc(OCc4ccccc4)n3)CC[C@@H]21 ZINC001164834335 720519725 /nfs/dbraw/zinc/51/97/25/720519725.db2.gz FPKXAMXIAQPWLT-VJBWXMMDSA-N 1 1 432.572 3.630 20 0 IHADMO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c(Cl)nc2c1 ZINC001164835829 720532607 /nfs/dbraw/zinc/53/26/07/720532607.db2.gz IBUOTFYYULXPDT-LLGFUMIMSA-N 1 1 440.979 3.866 20 0 IHADMO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c(Cl)nc2c1 ZINC001164835830 720532712 /nfs/dbraw/zinc/53/27/12/720532712.db2.gz IBUOTFYYULXPDT-XGHQBKJUSA-N 1 1 440.979 3.866 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)ccc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835887 720540163 /nfs/dbraw/zinc/54/01/63/720540163.db2.gz IXRFFCWGALFQFP-HLLBOEOZSA-N 1 1 427.902 3.993 20 0 IHADMO COC(=O)c1ccc2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ncc2c1 ZINC001164836328 720592069 /nfs/dbraw/zinc/59/20/69/720592069.db2.gz FTCGCAWHROYDJR-RJGXRXQPSA-N 1 1 433.556 3.596 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nnc(Cl)c4ccc(F)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844146 720628835 /nfs/dbraw/zinc/62/88/35/720628835.db2.gz ZBKBCMJWZSEHRC-RIFZZMRRSA-N 1 1 428.943 3.997 20 0 IHADMO COc1cc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844172 720637632 /nfs/dbraw/zinc/63/76/32/720637632.db2.gz ZOPDEUCNJBOMJN-DNVFCKCGSA-N 1 1 435.572 3.826 20 0 IHADMO COC(=O)c1cc(Cl)cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841932 720672574 /nfs/dbraw/zinc/67/25/74/720672574.db2.gz RDHKXWLRQWPBQN-IBGZPJMESA-N 1 1 429.948 3.782 20 0 IHADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3ncsc31)CC2 ZINC001164843824 720691958 /nfs/dbraw/zinc/69/19/58/720691958.db2.gz REBMVNALNWCINZ-MRXNPFEDSA-N 1 1 429.977 4.000 20 0 IHADMO CCOC(=O)c1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(OC)c1 ZINC001164842056 720699049 /nfs/dbraw/zinc/69/90/49/720699049.db2.gz LIEHUYXKFKXSSF-OAQYLSRUSA-N 1 1 439.556 3.527 20 0 IHADMO COC(OC)c1cc(C)cnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842336 720705432 /nfs/dbraw/zinc/70/54/32/720705432.db2.gz YMKMJCGVEDYLOD-NRFANRHFSA-N 1 1 425.573 3.941 20 0 IHADMO Cc1ccc(-c2nnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164740485 720756180 /nfs/dbraw/zinc/75/61/80/720756180.db2.gz LJFVQHMIJKJOJZ-SFTDATJTSA-N 1 1 438.535 3.737 20 0 IHADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C ZINC001164749212 720787168 /nfs/dbraw/zinc/78/71/68/720787168.db2.gz SEKOERJYIPBKIM-MSOLQXFVSA-N 1 1 436.947 3.546 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164737359 720821608 /nfs/dbraw/zinc/82/16/08/720821608.db2.gz AJTOVBZPDKBXFM-JFIYKMOQSA-N 1 1 444.008 3.624 20 0 IHADMO Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749698 720835889 /nfs/dbraw/zinc/83/58/89/720835889.db2.gz WPUUAUSLSVFVIT-OKZBNKHCSA-N 1 1 436.938 3.559 20 0 IHADMO Clc1cccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164747284 720847612 /nfs/dbraw/zinc/84/76/12/720847612.db2.gz QBYJBQWWFRIOCW-XKCSPQBFSA-N 1 1 449.990 3.768 20 0 IHADMO Clc1cccc(-c2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)ncn2)c1 ZINC001164741670 720849503 /nfs/dbraw/zinc/84/95/03/720849503.db2.gz FMRWGYYDDOYHPK-UNWVZKJWSA-N 1 1 449.990 3.768 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@H]2C1 ZINC001164857108 720850026 /nfs/dbraw/zinc/85/00/26/720850026.db2.gz XKKIRYJHNXHORG-QFBILLFUSA-N 1 1 425.907 3.607 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@@H]2C1 ZINC001164854242 720850218 /nfs/dbraw/zinc/85/02/18/720850218.db2.gz QJADMZLZKREOFG-VQIMIIECSA-N 1 1 425.907 3.607 20 0 IHADMO CCc1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cc1 ZINC001164747594 720851748 /nfs/dbraw/zinc/85/17/48/720851748.db2.gz IDFBQVWXWZGIFJ-GIFXNVAJSA-N 1 1 443.599 3.677 20 0 IHADMO Cc1c(Cl)nc(C(C)C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747646 720856612 /nfs/dbraw/zinc/85/66/12/720856612.db2.gz IWCINEGPEGVPNZ-GUDVDZBRSA-N 1 1 430.000 3.533 20 0 IHADMO CSc1nc(C)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750451 720868940 /nfs/dbraw/zinc/86/89/40/720868940.db2.gz JCWNZCJVSBUCHI-URXFXBBRSA-N 1 1 439.629 3.657 20 0 IHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nccc4ncccc42)C3)c1 ZINC001164754821 720875833 /nfs/dbraw/zinc/87/58/33/720875833.db2.gz STPAUQLJUYOODK-ATIYNZHBSA-N 1 1 429.568 3.780 20 0 IHADMO c1ccc2c(c1)cnnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753283 720880974 /nfs/dbraw/zinc/88/09/74/720880974.db2.gz OPZWOZYCQSFVIN-JYFHCDHNSA-N 1 1 429.568 3.780 20 0 IHADMO CC(C)(C)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757760 720884756 /nfs/dbraw/zinc/88/47/56/720884756.db2.gz VLJREPGPGPHUHT-BKMJKUGQSA-N 1 1 435.616 3.924 20 0 IHADMO Clc1cnc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755928 720886788 /nfs/dbraw/zinc/88/67/88/720886788.db2.gz NJXQBQUMZSOYPR-GCJKJVERSA-N 1 1 448.398 3.934 20 0 IHADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@H]2C1 ZINC001164863673 720889624 /nfs/dbraw/zinc/88/96/24/720889624.db2.gz TYUCYJBBJPKUKF-RXVVDRJESA-N 1 1 446.979 3.658 20 0 IHADMO Fc1cccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164758446 720893651 /nfs/dbraw/zinc/89/36/51/720893651.db2.gz YDPCZOAMQRTJMQ-RLWLMLJZSA-N 1 1 447.558 3.919 20 0 IHADMO COc1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755381 720894075 /nfs/dbraw/zinc/89/40/75/720894075.db2.gz LRAMFAFSYZNHRH-RDPSFJRHSA-N 1 1 442.991 3.894 20 0 IHADMO Nc1cc(F)c(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751775 720899823 /nfs/dbraw/zinc/89/98/23/720899823.db2.gz DMDFEFYUSBSJGZ-WZONZLPQSA-N 1 1 445.970 3.606 20 0 IHADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C2CC2)n1 ZINC001164748073 720921439 /nfs/dbraw/zinc/92/14/39/720921439.db2.gz FOCHMTNDFDUTTA-OZXSUGGESA-N 1 1 433.600 3.813 20 0 IHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ncc4c(n2)CCCC4)C3)c1 ZINC001164748450 720927136 /nfs/dbraw/zinc/92/71/36/720927136.db2.gz GDZTYBAHXAQPMM-JYFHCDHNSA-N 1 1 433.600 3.506 20 0 IHADMO C[C@@H]1CCc2nnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2C1 ZINC001164754229 720929360 /nfs/dbraw/zinc/92/93/60/720929360.db2.gz UVXOPIFHQXINEY-MHLNXUHPSA-N 1 1 447.627 3.752 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)[C@H]2C ZINC001164863154 720936647 /nfs/dbraw/zinc/93/66/47/720936647.db2.gz YKHMFDLVGWQBKC-KRWDZBQOSA-N 1 1 445.011 3.979 20 0 IHADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164863579 720971561 /nfs/dbraw/zinc/97/15/61/720971561.db2.gz WUHMHBKVXFRYKV-INIZCTEOSA-N 1 1 433.000 3.835 20 0 IHADMO c1ncn2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C[C@H](COCC1CC1)C2 ZINC001164756030 720975591 /nfs/dbraw/zinc/97/55/91/720975591.db2.gz DEKCPXNIRYSLBI-QHCPKHFHSA-N 1 1 443.595 3.899 20 0 IHADMO FC(F)(c1cc2ccccc2nc1Cl)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164862077 721032264 /nfs/dbraw/zinc/03/22/64/721032264.db2.gz MLHPCAJDWZSNQE-UHFFFAOYSA-N 1 1 428.874 3.937 20 0 IHADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870706 721054811 /nfs/dbraw/zinc/05/48/11/721054811.db2.gz WVHPFXCYXJGWIP-CABCVRRESA-N 1 1 429.298 3.808 20 0 IHADMO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871471 721059774 /nfs/dbraw/zinc/05/97/74/721059774.db2.gz YYVRINMHZJISDL-QZTJIDSGSA-N 1 1 445.901 3.703 20 0 IHADMO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867081 721074906 /nfs/dbraw/zinc/07/49/06/721074906.db2.gz HOQRZECIDIGFAJ-ROUUACIJSA-N 1 1 445.901 3.703 20 0 IHADMO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865785 721090828 /nfs/dbraw/zinc/09/08/28/721090828.db2.gz PMEDDAKKQBOPAY-JKSUJKDBSA-N 1 1 433.890 3.636 20 0 IHADMO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865637 721107134 /nfs/dbraw/zinc/10/71/34/721107134.db2.gz NSZQITCZTLGEHD-RTBURBONSA-N 1 1 445.901 3.703 20 0 IHADMO FC(F)(c1nc2ccccc2nc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866975 721108862 /nfs/dbraw/zinc/10/88/62/721108862.db2.gz WBGMVNWVZCUKMT-IAGOWNOFSA-N 1 1 445.901 3.703 20 0 IHADMO CSc1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164874489 721132993 /nfs/dbraw/zinc/13/29/93/721132993.db2.gz KCLLFFYYAXEYAG-HZPDHXFCSA-N 1 1 440.947 3.877 20 0 IHADMO c1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)nc1 ZINC001164879580 721142528 /nfs/dbraw/zinc/14/25/28/721142528.db2.gz UBGCVXZTNDALDE-RTWAWAEBSA-N 1 1 438.535 3.567 20 0 IHADMO c1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)nc1 ZINC001164879582 721142586 /nfs/dbraw/zinc/14/25/86/721142586.db2.gz UBGCVXZTNDALDE-SFTDATJTSA-N 1 1 438.535 3.567 20 0 IHADMO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164874478 721163494 /nfs/dbraw/zinc/16/34/94/721163494.db2.gz KCCZMJPLFXIWFQ-MOPGFXCFSA-N 1 1 439.922 3.811 20 0 IHADMO FC(F)(Sc1ccc(Cl)nc1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868258 721188883 /nfs/dbraw/zinc/18/88/83/721188883.db2.gz LJLNTONEJKFBDT-CVEARBPZSA-N 1 1 426.920 3.748 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)C[C@H]3C2)cn1 ZINC001164768624 721191119 /nfs/dbraw/zinc/19/11/19/721191119.db2.gz LKEWIXLTUWRWFM-XZOQPEGZSA-N 1 1 438.579 3.912 20 0 IHADMO Clc1ccc2c(Cl)ncnc2c1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871376 721191538 /nfs/dbraw/zinc/19/15/38/721191538.db2.gz YSXXXXXBTCTUNN-HZPDHXFCSA-N 1 1 430.339 3.811 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)C[C@H]3C2)cn1 ZINC001164766943 721208650 /nfs/dbraw/zinc/20/86/50/721208650.db2.gz JPYJFMWJBQWFEZ-JKSUJKDBSA-N 1 1 432.906 3.520 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)Oc4ccc(Cl)nc4Cl)C[C@@H]3C2)cn1 ZINC001164766193 721236240 /nfs/dbraw/zinc/23/62/40/721236240.db2.gz SUYMZBPSABQKPH-KGLIPLIRSA-N 1 1 432.302 3.505 20 0 IHADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164764677 721238074 /nfs/dbraw/zinc/23/80/74/721238074.db2.gz PKADUFNFRGINIK-RTBURBONSA-N 1 1 438.963 3.923 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ccoc43)C2)C1 ZINC001164777626 721338542 /nfs/dbraw/zinc/33/85/42/721338542.db2.gz OVCKMSKAYZXUKA-NRFANRHFSA-N 1 1 431.924 3.600 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)nc1 ZINC001164881750 721345765 /nfs/dbraw/zinc/34/57/65/721345765.db2.gz AMZSRTHSQSNZQT-TZBSWOFLSA-N 1 1 426.605 3.530 20 0 IHADMO CCOc1ccc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779072 721355190 /nfs/dbraw/zinc/35/51/90/721355190.db2.gz QEFMFKRKFYDPPF-JOCHJYFZSA-N 1 1 434.968 3.858 20 0 IHADMO CCOc1ccc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779072 721355193 /nfs/dbraw/zinc/35/51/93/721355193.db2.gz QEFMFKRKFYDPPF-JOCHJYFZSA-N 1 1 434.968 3.858 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@H]3C2)nc1 ZINC001164881241 721366983 /nfs/dbraw/zinc/36/69/83/721366983.db2.gz ANBFDFGZJAHOPL-XPWALMASSA-N 1 1 438.547 3.778 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4Cl)C3)O2)CC1 ZINC001164890978 721384195 /nfs/dbraw/zinc/38/41/95/721384195.db2.gz PSWKTBFYSSXQCM-BEFAXECRSA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5ccc(F)cc54)C3)O2)CC1 ZINC001164886096 721397718 /nfs/dbraw/zinc/39/77/18/721397718.db2.gz DLAXQVDFGASZJF-CVDCTZTESA-N 1 1 432.971 3.793 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1Cl ZINC001164790754 721399866 /nfs/dbraw/zinc/39/98/66/721399866.db2.gz XXIHJAASAIWMQS-VXGBXAGGSA-N 1 1 427.357 3.590 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccccc5Cl)nn4)C3)O2)CC1 ZINC001164883485 721422671 /nfs/dbraw/zinc/42/26/71/721422671.db2.gz ACPDIHPFYXTDSO-NTKDMRAZSA-N 1 1 442.007 3.562 20 0 IHADMO O=C(c1ccccc1)n1ccc2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164786432 721423140 /nfs/dbraw/zinc/42/31/40/721423140.db2.gz OYVFQWWRVHHBLX-WOJBJXKFSA-N 1 1 429.549 3.750 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164896836 721433516 /nfs/dbraw/zinc/43/35/16/721433516.db2.gz SDMPUUOCFHNJPQ-WZONZLPQSA-N 1 1 436.044 3.501 20 0 IHADMO Clc1cccc(COc2cncc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n2)c1 ZINC001164786314 721435565 /nfs/dbraw/zinc/43/55/65/721435565.db2.gz OJHDPBLCDICHJP-CALCHBBNSA-N 1 1 427.961 3.734 20 0 IHADMO Clc1cccc(COc2cncc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n2)c1 ZINC001164786314 721435570 /nfs/dbraw/zinc/43/55/70/721435570.db2.gz OJHDPBLCDICHJP-CALCHBBNSA-N 1 1 427.961 3.734 20 0 IHADMO Cc1cccc2cc(Cl)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164894402 721447957 /nfs/dbraw/zinc/44/79/57/721447957.db2.gz MBDKRDZMOGALGR-RDPSFJRHSA-N 1 1 429.008 3.962 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c(F)cccc45)C3)O2)CC1 ZINC001164884945 721450146 /nfs/dbraw/zinc/45/01/46/721450146.db2.gz CXIVXWQBRNCJDR-SBUREZEXSA-N 1 1 432.971 3.793 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3scc(C)c31)CC2 ZINC001164789309 721450143 /nfs/dbraw/zinc/45/01/43/721450143.db2.gz UPMRFIBDFRWPOM-IBGZPJMESA-N 1 1 430.618 3.734 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164788570 721453511 /nfs/dbraw/zinc/45/35/11/721453511.db2.gz RLTBOGWIGCISRS-HSZRJFAPSA-N 1 1 436.600 3.878 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(OC)ccc31)CC2 ZINC001164785955 721454689 /nfs/dbraw/zinc/45/46/89/721454689.db2.gz KEWWRFWRVWSFQF-QFIPXVFZSA-N 1 1 439.600 3.977 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3cc(F)ccc3n1)CC2 ZINC001164785472 721463599 /nfs/dbraw/zinc/46/35/99/721463599.db2.gz LLZJOWKJKCJHDS-OAQYLSRUSA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(SC(C)C)nn1)CC2 ZINC001164789516 721469324 /nfs/dbraw/zinc/46/93/24/721469324.db2.gz NMCFZQIMUVUROT-FQEVSTJZSA-N 1 1 434.650 3.711 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(Cl)c1C(C)C)CC2 ZINC001164787267 721471154 /nfs/dbraw/zinc/47/11/54/721471154.db2.gz DTEDDDLAWSWQEV-LJQANCHMSA-N 1 1 437.028 3.987 20 0 IHADMO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792433 721490054 /nfs/dbraw/zinc/49/00/54/721490054.db2.gz IZCRTYTWHBHZHF-UHFFFAOYSA-N 1 1 441.601 3.651 20 0 IHADMO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792310 721494670 /nfs/dbraw/zinc/49/46/70/721494670.db2.gz NXQIRARYWBKURQ-UHFFFAOYSA-N 1 1 429.952 3.583 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164897646 721502082 /nfs/dbraw/zinc/50/20/82/721502082.db2.gz NLDUJFMOTHXGRL-YADHBBJMSA-N 1 1 428.621 3.776 20 0 IHADMO COCc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164897072 721514384 /nfs/dbraw/zinc/51/43/84/721514384.db2.gz DNHYSTOGWVGBDA-GGAORHGYSA-N 1 1 434.515 3.771 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nccnc4C4SCCCS4)CC[N@H+]3C2)c1 ZINC001164901041 721525259 /nfs/dbraw/zinc/52/52/59/721525259.db2.gz WDQNNLYGJRGUND-WMZOPIPTSA-N 1 1 432.590 3.826 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(F)c32)[C@H]2CCCO[C@@H]12 ZINC001164807778 721545174 /nfs/dbraw/zinc/54/51/74/721545174.db2.gz RGBKKEIPFMCZPT-NLWGTHIKSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(F)c32)[C@H]2CCCO[C@@H]12 ZINC001164807778 721545178 /nfs/dbraw/zinc/54/51/78/721545178.db2.gz RGBKKEIPFMCZPT-NLWGTHIKSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(F)c(F)cc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164807181 721547843 /nfs/dbraw/zinc/54/78/43/721547843.db2.gz PYQFGEXWYOEDPG-AQNXPRMDSA-N 1 1 445.901 3.825 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3cc(F)c(F)cc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164807181 721547847 /nfs/dbraw/zinc/54/78/47/721547847.db2.gz PYQFGEXWYOEDPG-AQNXPRMDSA-N 1 1 445.901 3.825 20 0 IHADMO COC(=O)C[C@H](c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)C1CC1 ZINC001164911103 721550832 /nfs/dbraw/zinc/55/08/32/721550832.db2.gz YMXSYHNTPSTZJM-MZYLBHOOSA-N 1 1 439.531 3.619 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)CC[N@H+]3C2)c1 ZINC001164911095 721555234 /nfs/dbraw/zinc/55/52/34/721555234.db2.gz YKBGASAESNVBAJ-GOEBONIOSA-N 1 1 438.881 3.645 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[N@H+]3C2)c1 ZINC001164909645 721560862 /nfs/dbraw/zinc/56/08/62/721560862.db2.gz UMHGQWCYJUIWJW-TZIWHRDSSA-N 1 1 431.515 3.508 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cc3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164804690 721569506 /nfs/dbraw/zinc/56/95/06/721569506.db2.gz MEXUUBJNKGGGEI-WMTXJRDZSA-N 1 1 449.986 3.984 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cc3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164804690 721569510 /nfs/dbraw/zinc/56/95/10/721569510.db2.gz MEXUUBJNKGGGEI-WMTXJRDZSA-N 1 1 449.986 3.984 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCc3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164800990 721569922 /nfs/dbraw/zinc/56/99/22/721569922.db2.gz GBXUNSRXTSGWPY-ZEVJAHDQSA-N 1 1 430.552 3.924 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)-c2ccccc2CC3)[C@@H]2CCCO[C@@H]12 ZINC001164803131 721570983 /nfs/dbraw/zinc/57/09/83/721570983.db2.gz JONUPZLIIWBQNJ-VDKIKQQVSA-N 1 1 427.552 3.505 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc3c(n2)-c2ccccc2CC3)[C@@H]2CCCO[C@@H]12 ZINC001164803131 721570987 /nfs/dbraw/zinc/57/09/87/721570987.db2.gz JONUPZLIIWBQNJ-VDKIKQQVSA-N 1 1 427.552 3.505 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2F)[C@H]2CCCO[C@H]12 ZINC001164807508 721582801 /nfs/dbraw/zinc/58/28/01/721582801.db2.gz OHVQEDQUEKKOSE-DWLFOUALSA-N 1 1 427.911 3.686 20 0 IHADMO CCOC(=O)c1ccc(C)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905768 721583651 /nfs/dbraw/zinc/58/36/51/721583651.db2.gz WSXZEHAMFXQFNB-QFIPXVFZSA-N 1 1 430.499 3.699 20 0 IHADMO COC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904103 721586426 /nfs/dbraw/zinc/58/64/26/721586426.db2.gz CYWPUCVYRVBUIL-HXUWFJFHSA-N 1 1 436.890 3.654 20 0 IHADMO Cc1cc(-c2ccccc2F)nnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164811251 721588837 /nfs/dbraw/zinc/58/88/37/721588837.db2.gz WXKUPIUOELMNAI-SGNDLWITSA-N 1 1 433.531 3.854 20 0 IHADMO Cc1cc(-c2ccccc2F)nnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164811251 721588838 /nfs/dbraw/zinc/58/88/38/721588838.db2.gz WXKUPIUOELMNAI-SGNDLWITSA-N 1 1 433.531 3.854 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(F)ccc3c(Cl)ncnc32)[C@H]2CCCO[C@@H]12 ZINC001164812263 721591076 /nfs/dbraw/zinc/59/10/76/721591076.db2.gz ZTNLJXAZVFJLTG-WAOWUJCRSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(F)ccc3c(Cl)ncnc32)[C@H]2CCCO[C@@H]12 ZINC001164812263 721591078 /nfs/dbraw/zinc/59/10/78/721591078.db2.gz ZTNLJXAZVFJLTG-WAOWUJCRSA-N 1 1 427.911 3.686 20 0 IHADMO COC(=O)c1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905596 721702651 /nfs/dbraw/zinc/70/26/51/721702651.db2.gz KAVXOSIIXGEQHD-HXUWFJFHSA-N 1 1 436.890 3.654 20 0 IHADMO CC(C)(C)C(=O)Nc1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164908789 721703684 /nfs/dbraw/zinc/70/36/84/721703684.db2.gz ZKAYTGVOZYVHNJ-QFIPXVFZSA-N 1 1 444.530 3.594 20 0 IHADMO CC(C)(C)NC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164906045 721705898 /nfs/dbraw/zinc/70/58/98/721705898.db2.gz JNATZANOLXTDNB-QHCPKHFHSA-N 1 1 443.542 3.743 20 0 IHADMO CSc1nc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2s1 ZINC001164904835 721716124 /nfs/dbraw/zinc/71/61/24/721716124.db2.gz DHGCLOZXDDUXLQ-IBGZPJMESA-N 1 1 448.568 3.941 20 0 IHADMO FC1(F)CCN(c2nc[nH]c3nc(=S)sc2-3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907400 721721181 /nfs/dbraw/zinc/72/11/81/721721181.db2.gz ROWZVXOVQNDJAW-GOSISDBHSA-N 1 1 434.541 3.508 20 0 IHADMO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc1 ZINC001165013134 721748947 /nfs/dbraw/zinc/74/89/47/721748947.db2.gz VKFUMZHDJDPPNJ-QFIPXVFZSA-N 1 1 427.637 3.542 20 0 IHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc1 ZINC001165013134 721748952 /nfs/dbraw/zinc/74/89/52/721748952.db2.gz VKFUMZHDJDPPNJ-QFIPXVFZSA-N 1 1 427.637 3.542 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)nc1 ZINC001165021852 721785471 /nfs/dbraw/zinc/78/54/71/721785471.db2.gz PTZUXWNJYNFUAL-RDGATRHJSA-N 1 1 434.588 3.832 20 0 IHADMO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ncc2c1 ZINC001165027249 721804361 /nfs/dbraw/zinc/80/43/61/721804361.db2.gz UXVCZMFEXATELX-HARLFGEKSA-N 1 1 431.540 3.548 20 0 IHADMO COC(=O)c1cccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ncc21 ZINC001165025913 721807205 /nfs/dbraw/zinc/80/72/05/721807205.db2.gz PVIPZFTWCRJGOL-LXBDKUERSA-N 1 1 431.540 3.548 20 0 IHADMO COc1cc2ncc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2cc1OC ZINC001165020768 721810279 /nfs/dbraw/zinc/81/02/79/721810279.db2.gz CWERIWZWZTYKEP-LQBOVUBWSA-N 1 1 433.556 3.779 20 0 IHADMO COc1cc2ncc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2cc1OC ZINC001165020760 721810435 /nfs/dbraw/zinc/81/04/35/721810435.db2.gz CWERIWZWZTYKEP-JLMWRMLUSA-N 1 1 433.556 3.779 20 0 IHADMO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1OCC ZINC001165027296 721811047 /nfs/dbraw/zinc/81/10/47/721811047.db2.gz UAESLACHSSLURF-NYVOZVTQSA-N 1 1 438.572 3.789 20 0 IHADMO CN(C)c1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027399 721816731 /nfs/dbraw/zinc/81/67/31/721816731.db2.gz UQUQWPDQRPLVEW-PMVMPFDFSA-N 1 1 443.599 3.737 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C[C@@H]21 ZINC001165027414 721821524 /nfs/dbraw/zinc/82/15/24/721821524.db2.gz SCCGDFRCPQEMMW-DKSSEZFCSA-N 1 1 449.933 3.511 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cnc(Cl)cc2N)CC1 ZINC001165020322 721841353 /nfs/dbraw/zinc/84/13/53/721841353.db2.gz CEGDGMSUYXKZMX-UHFFFAOYSA-N 1 1 440.922 3.980 20 0 IHADMO COC(=O)c1ccc2nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)ncc2c1 ZINC001164939345 721922640 /nfs/dbraw/zinc/92/26/40/721922640.db2.gz JJGSAAZZMYBTQF-UHFFFAOYSA-N 1 1 446.551 3.596 20 0 IHADMO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939671 721929695 /nfs/dbraw/zinc/92/96/95/721929695.db2.gz NYKVYHRZISAQDE-CMDGGOBGSA-N 1 1 435.568 3.756 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)nc1 ZINC001164948300 721962066 /nfs/dbraw/zinc/96/20/66/721962066.db2.gz SVMCNSRSKQFDFE-TZRRMPRUSA-N 1 1 439.604 3.713 20 0 IHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164947702 721974272 /nfs/dbraw/zinc/97/42/72/721974272.db2.gz QUXOTGXKRYMQTJ-UHFFFAOYSA-N 1 1 447.970 3.768 20 0 IHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164947702 721974274 /nfs/dbraw/zinc/97/42/74/721974274.db2.gz QUXOTGXKRYMQTJ-UHFFFAOYSA-N 1 1 447.970 3.768 20 0 IHADMO CSc1ccc2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164965470 722061731 /nfs/dbraw/zinc/06/17/31/722061731.db2.gz KFHBKBVKMFDQOM-UHFFFAOYSA-N 1 1 435.597 3.866 20 0 IHADMO Fc1ccc2c(Cl)ncnc2c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966510 722062480 /nfs/dbraw/zinc/06/24/80/722062480.db2.gz VLGLSLYVIHSNQJ-UHFFFAOYSA-N 1 1 441.938 3.936 20 0 IHADMO Cc1cncc(COCc2cnc3n2CCN(c2ccc(C[N@@H+](C)C4CC4)cn2)[C@H]3C)c1 ZINC001164966024 722063502 /nfs/dbraw/zinc/06/35/02/722063502.db2.gz NMZVOBOJSLGKOH-IBGZPJMESA-N 1 1 432.572 3.874 20 0 IHADMO Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)c1 ZINC001164967723 722077669 /nfs/dbraw/zinc/07/76/69/722077669.db2.gz KRFYEHHODSFQOF-CALCHBBNSA-N 1 1 438.881 3.780 20 0 IHADMO Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c(Cl)nn2)c1 ZINC001164967723 722077670 /nfs/dbraw/zinc/07/76/70/722077670.db2.gz KRFYEHHODSFQOF-CALCHBBNSA-N 1 1 438.881 3.780 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164971877 722109346 /nfs/dbraw/zinc/10/93/46/722109346.db2.gz CYMONOMHBXRMTI-WMZOPIPTSA-N 1 1 429.977 3.775 20 0 IHADMO CSc1nc2ccsc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975091 722113085 /nfs/dbraw/zinc/11/30/85/722113085.db2.gz JKEXGPQUHTVFFX-FUHWJXTLSA-N 1 1 427.599 3.536 20 0 IHADMO c1cn(C2CCCC2)c2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971377 722122031 /nfs/dbraw/zinc/12/20/31/722122031.db2.gz BQBRTTLUMMOFOF-REWPJTCUSA-N 1 1 432.572 3.669 20 0 IHADMO Fc1cccc(Oc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164983888 722135031 /nfs/dbraw/zinc/13/50/31/722135031.db2.gz VYWZZSUHIJGZTR-KNQAVFIVSA-N 1 1 435.503 3.530 20 0 IHADMO Clc1ccc2[nH]c3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c3c2c1 ZINC001164976982 722136629 /nfs/dbraw/zinc/13/66/29/722136629.db2.gz HMJZJZOPCKHAFF-LAUBAEHRSA-N 1 1 448.958 3.887 20 0 IHADMO c1ccc(COc2cccnc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164980359 722139003 /nfs/dbraw/zinc/13/90/03/722139003.db2.gz NEWMOPWEBAHPAD-UKILVPOCSA-N 1 1 430.552 3.783 20 0 IHADMO Clc1cccc(-c2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)c1 ZINC001164984957 722144495 /nfs/dbraw/zinc/14/44/95/722144495.db2.gz YMBDYVNLJIMDNJ-NZQKXSOJSA-N 1 1 435.959 3.919 20 0 IHADMO Fc1cc2ncc(Cl)nc2cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980946 722146815 /nfs/dbraw/zinc/14/68/15/722146815.db2.gz OAUPTISWGLZOBL-HRAATJIYSA-N 1 1 427.911 3.545 20 0 IHADMO CCOc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984264 722147947 /nfs/dbraw/zinc/14/79/47/722147947.db2.gz XCCXMSMHIBQNFJ-RCZVLFRGSA-N 1 1 445.567 3.665 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971710 722153752 /nfs/dbraw/zinc/15/37/52/722153752.db2.gz DIUWGJXHQILCEF-URXFXBBRSA-N 1 1 433.531 3.713 20 0 IHADMO Clc1nc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(C2CC2)n1 ZINC001164972616 722156376 /nfs/dbraw/zinc/15/63/76/722156376.db2.gz IRLRMWHXCWYFCS-SJORKVTESA-N 1 1 434.371 3.783 20 0 IHADMO CCN(CC)c1ccnc([C@@H]2COCCN2c2nc(Cl)ccc2C[NH+]2CCCC2)n1 ZINC001165000089 722226933 /nfs/dbraw/zinc/22/69/33/722226933.db2.gz PWLYXGHMTMANIR-SFHVURJKSA-N 1 1 430.984 3.545 20 0 IHADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4c(Cl)ccc(Cl)c4n2)CC3)CC1 ZINC001165001100 722239601 /nfs/dbraw/zinc/23/96/01/722239601.db2.gz CHDNGRJUNGPLKQ-UHFFFAOYSA-N 1 1 443.382 3.689 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc1 ZINC001165002104 722248177 /nfs/dbraw/zinc/24/81/77/722248177.db2.gz WGYRKJZEVRWIIZ-HXUWFJFHSA-N 1 1 432.528 3.827 20 0 IHADMO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@H](CO)Cc3cccc(C)c3)cs2)cc1 ZINC001462096156 1126197331 /nfs/dbraw/zinc/19/73/31/1126197331.db2.gz VQVAACJHYLZXGC-IBGZPJMESA-N 1 1 425.554 3.838 20 0 IHADMO CC(C)CO[C@H](C)c1noc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001620418885 1126240067 /nfs/dbraw/zinc/24/00/67/1126240067.db2.gz HBFIHTXQZHGOJH-JLTOFOAXSA-N 1 1 438.366 3.575 20 0 IHADMO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@](C)(CO)Cc3ccccc3F)cs2)cc1 ZINC001620623862 1126241320 /nfs/dbraw/zinc/24/13/20/1126241320.db2.gz JBUSUMJDFNEPPH-QHCPKHFHSA-N 1 1 427.545 3.855 20 0 IHADMO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC001621462957 1126246595 /nfs/dbraw/zinc/24/65/95/1126246595.db2.gz KDPSLMCFLRAUJA-QHCPKHFHSA-N 1 1 425.554 3.920 20 0 IHADMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC000096939756 563200069 /nfs/dbraw/zinc/20/00/69/563200069.db2.gz GYUSVTHARXVPOC-LJQANCHMSA-N 1 1 431.536 3.892 20 0 IHADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5OCC(F)(F)[C@H]5C3)n2)CCC4)CC1 ZINC001164424408 718928223 /nfs/dbraw/zinc/92/82/23/718928223.db2.gz NHKOUDSCNFCAJP-JKSUJKDBSA-N 1 1 434.556 3.882 20 0 IHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5OCC(F)(F)[C@@H]5C4)c32)C1 ZINC001164424117 718929143 /nfs/dbraw/zinc/92/91/43/718929143.db2.gz LMDLNPIKMCFLRP-BMFZPTHFSA-N 1 1 434.556 3.882 20 0 IHADMO CCOC(=O)[C@@]12CCO[C@@H]1CCN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164432649 718978786 /nfs/dbraw/zinc/97/87/86/718978786.db2.gz IFOYZEOHVAASOV-UZUQRXQVSA-N 1 1 446.617 3.698 20 0 IHADMO Clc1nnc(Cl)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1N1CCOCC1 ZINC001164627435 719114558 /nfs/dbraw/zinc/11/45/58/719114558.db2.gz KLKOCBPGJFKXNA-QZTJIDSGSA-N 1 1 448.398 3.721 20 0 IHADMO CCc1cccc(Oc2nc(Cl)ncc2N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)c1 ZINC001164689364 719755678 /nfs/dbraw/zinc/75/56/78/719755678.db2.gz CTQBIAZAZJDUFT-UHFFFAOYSA-N 1 1 443.979 3.666 20 0 IHADMO COC[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)Cc2cn(C)nc21 ZINC001164697874 719832717 /nfs/dbraw/zinc/83/27/17/719832717.db2.gz ZDOCOZYZEDYWAU-SFHVURJKSA-N 1 1 448.596 3.904 20 0 IHADMO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695294 719886807 /nfs/dbraw/zinc/88/68/07/719886807.db2.gz LROVKTSTAZQRIV-FPLPWBNLSA-N 1 1 427.570 3.591 20 0 IHADMO c1csc(C[N@H+]2CCOC3(CCN(c4cc(OCc5ccccc5)cnn4)CC3)C2)c1 ZINC001164698297 719894776 /nfs/dbraw/zinc/89/47/76/719894776.db2.gz RCSIVNCAWUSLMQ-UHFFFAOYSA-N 1 1 436.581 3.989 20 0 IHADMO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698187 719895115 /nfs/dbraw/zinc/89/51/15/719895115.db2.gz PKUCASKQUZZQDQ-UHFFFAOYSA-N 1 1 437.565 3.954 20 0 IHADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697669 719896021 /nfs/dbraw/zinc/89/60/21/719896021.db2.gz MWOFEYRMWHJIDD-UHFFFAOYSA-N 1 1 447.008 3.994 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncn1)CC2 ZINC001164710209 720092270 /nfs/dbraw/zinc/09/22/70/720092270.db2.gz HEIHZSVMXWYPDS-QGZVFWFLSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ncccc31)CC2 ZINC001164713009 720103130 /nfs/dbraw/zinc/10/31/30/720103130.db2.gz ZWPWRVWLFZFTRT-GOSISDBHSA-N 1 1 438.963 3.581 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)nc1)CC2 ZINC001164711588 720103354 /nfs/dbraw/zinc/10/33/54/720103354.db2.gz RFBRVWJPODOWRM-GOSISDBHSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3c(OC)n1)CC2 ZINC001164714230 720124749 /nfs/dbraw/zinc/12/47/49/720124749.db2.gz AXJKCQBDCAOUDS-FQEVSTJZSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164714022 720128449 /nfs/dbraw/zinc/12/84/49/720128449.db2.gz VKXFCZHWZHDQKE-QGZVFWFLSA-N 1 1 427.936 3.779 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cnc1SC)CC2 ZINC001164714368 720137057 /nfs/dbraw/zinc/13/70/57/720137057.db2.gz WOZBNQQSCPFUSV-QGZVFWFLSA-N 1 1 434.009 3.754 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccncc3)n1)CC2 ZINC001164712709 720138156 /nfs/dbraw/zinc/13/81/56/720138156.db2.gz ONKQTZNRJMHAOV-QHCPKHFHSA-N 1 1 444.583 3.750 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001164811559 720139620 /nfs/dbraw/zinc/13/96/20/720139620.db2.gz MLHFUJZENPSIOA-OPAMFIHVSA-N 1 1 447.942 3.641 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001164811558 720140903 /nfs/dbraw/zinc/14/09/03/720140903.db2.gz MLHFUJZENPSIOA-KSFYIVLOSA-N 1 1 447.942 3.641 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(SC(C)C)nn1)CC2 ZINC001164711150 720149028 /nfs/dbraw/zinc/14/90/28/720149028.db2.gz FRDOPVXVNDXVHB-HXUWFJFHSA-N 1 1 427.618 3.880 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccnc(-c3nccs3)n1)CC2 ZINC001164713868 720156444 /nfs/dbraw/zinc/15/64/44/720156444.db2.gz MEFAHIRSSVQFAG-LJQANCHMSA-N 1 1 436.585 3.503 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001164810834 720194891 /nfs/dbraw/zinc/19/48/91/720194891.db2.gz DOKAVYYVJBPAMI-GBXCKJPGSA-N 1 1 442.991 3.894 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc(Cl)cc3)nn1)CCC2 ZINC001164813324 720214718 /nfs/dbraw/zinc/21/47/18/720214718.db2.gz OIXWHWOSQKNHAS-UHFFFAOYSA-N 1 1 438.963 3.604 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc3ccc(F)cc31)CCC2 ZINC001164812807 720217311 /nfs/dbraw/zinc/21/73/11/720217311.db2.gz JBKBWZQCNFVJSJ-UHFFFAOYSA-N 1 1 429.927 3.835 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccc(Cl)cc3nc1Cl)CCC2 ZINC001164812667 720218781 /nfs/dbraw/zinc/21/87/81/720218781.db2.gz IAXMXCMLWLFLKU-UHFFFAOYSA-N 1 1 447.370 3.744 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3c(Cl)cccc3nc1Cl)CCC2 ZINC001164816115 720244410 /nfs/dbraw/zinc/24/44/10/720244410.db2.gz GWWGUMAIFLZMTO-UHFFFAOYSA-N 1 1 447.370 3.744 20 0 IHADMO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)O2)n1 ZINC001164832048 720403457 /nfs/dbraw/zinc/40/34/57/720403457.db2.gz YJEKGJIKLDZTED-VJBWXMMDSA-N 1 1 431.540 3.830 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@H]3C2)nc1 ZINC001164824931 720424026 /nfs/dbraw/zinc/42/40/26/720424026.db2.gz MSSVAMFMZHFPCM-SSGKUCQKSA-N 1 1 428.621 3.632 20 0 IHADMO c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164727014 720455631 /nfs/dbraw/zinc/45/56/31/720455631.db2.gz CTVYDPWSOMAHIL-FCHUYYIVSA-N 1 1 429.524 3.553 20 0 IHADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727542 720488079 /nfs/dbraw/zinc/48/80/79/720488079.db2.gz NJKDCIVCPNETLS-KGLIPLIRSA-N 1 1 436.919 3.619 20 0 IHADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727542 720488084 /nfs/dbraw/zinc/48/80/84/720488084.db2.gz NJKDCIVCPNETLS-KGLIPLIRSA-N 1 1 436.919 3.619 20 0 IHADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727546 720488637 /nfs/dbraw/zinc/48/86/37/720488637.db2.gz NJKDCIVCPNETLS-UONOGXRCSA-N 1 1 436.919 3.619 20 0 IHADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727546 720488643 /nfs/dbraw/zinc/48/86/43/720488643.db2.gz NJKDCIVCPNETLS-UONOGXRCSA-N 1 1 436.919 3.619 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)nc1 ZINC001164832940 720503385 /nfs/dbraw/zinc/50/33/85/720503385.db2.gz CAHPQSYBBKNXHW-YCAMKHIRSA-N 1 1 440.632 3.872 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccnc(Cl)c3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832375 720511367 /nfs/dbraw/zinc/51/13/67/720511367.db2.gz AJLAOUXCEHNNRS-YQQAZPJKSA-N 1 1 427.902 3.993 20 0 IHADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834677 720527801 /nfs/dbraw/zinc/52/78/01/720527801.db2.gz HATSHBBLUQIBDH-GBESFXJTSA-N 1 1 445.995 3.794 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4cccc(F)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840246 720528811 /nfs/dbraw/zinc/52/88/11/720528811.db2.gz SIZJDVXYAWITNO-JTDSTZFVSA-N 1 1 428.943 3.997 20 0 IHADMO CSc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)n1)CCCC2 ZINC001164839582 720538198 /nfs/dbraw/zinc/53/81/98/720538198.db2.gz QQQFXLANFFYYJE-BBTUJRGHSA-N 1 1 426.634 3.652 20 0 IHADMO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2ccccc21 ZINC001164837364 720540015 /nfs/dbraw/zinc/54/00/15/720540015.db2.gz MBGMVRNFPBGERN-JXALWOEJSA-N 1 1 447.583 3.986 20 0 IHADMO COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164840673 720542173 /nfs/dbraw/zinc/54/21/73/720542173.db2.gz SMMBVVNLOZTVIK-ZIFCJYIRSA-N 1 1 440.979 3.866 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(=O)OC(C)(C)C)cn3)CC[C@@H]21 ZINC001164836355 720543103 /nfs/dbraw/zinc/54/31/03/720543103.db2.gz JRDQOPAHPBPASY-ACRUOGEOSA-N 1 1 425.577 3.611 20 0 IHADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842538 720577451 /nfs/dbraw/zinc/57/74/51/720577451.db2.gz YCRJUNFMKTYECC-SQNIBIBYSA-N 1 1 442.999 3.635 20 0 IHADMO CCc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164842243 720587854 /nfs/dbraw/zinc/58/78/54/720587854.db2.gz UWSKGCIKVYAZKI-KVSKMBFKSA-N 1 1 427.984 3.748 20 0 IHADMO 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ZINC001164777230 721347331 /nfs/dbraw/zinc/34/73/31/721347331.db2.gz FDXAIRTVTHXMEC-IBGZPJMESA-N 1 1 426.348 3.507 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cnc3Cl)C2)C1 ZINC001164777230 721347333 /nfs/dbraw/zinc/34/73/33/721347333.db2.gz FDXAIRTVTHXMEC-IBGZPJMESA-N 1 1 426.348 3.507 20 0 IHADMO CSc1nc(Cl)ncc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779238 721350502 /nfs/dbraw/zinc/35/05/02/721350502.db2.gz RMZFAFQVHBRFJV-HXUWFJFHSA-N 1 1 437.997 3.576 20 0 IHADMO CSc1nc(Cl)ncc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779238 721350508 /nfs/dbraw/zinc/35/05/08/721350508.db2.gz RMZFAFQVHBRFJV-HXUWFJFHSA-N 1 1 437.997 3.576 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164776191 721350531 /nfs/dbraw/zinc/35/05/31/721350531.db2.gz ALCSDFZURRCHTB-RTWAWAEBSA-N 1 1 438.931 3.586 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164776191 721350534 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IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5cccc(Cl)c5)nn4)C3)O2)CC1 ZINC001164899972 721435114 /nfs/dbraw/zinc/43/51/14/721435114.db2.gz ZRUAUZYNDDLBKE-QPPBQGQZSA-N 1 1 442.007 3.562 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nncc3ccc(F)cc31)CC2 ZINC001164789346 721460977 /nfs/dbraw/zinc/46/09/77/721460977.db2.gz XDFHCUKPJNDGJE-NRFANRHFSA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cccc(F)c31)CC2 ZINC001164786688 721461230 /nfs/dbraw/zinc/46/12/30/721461230.db2.gz PDUTVQVGTFHLQZ-IBGZPJMESA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc(C)o3)nn1)CC2 ZINC001164788078 721469415 /nfs/dbraw/zinc/46/94/15/721469415.db2.gz IDEDTPIBLYLPKB-NRFANRHFSA-N 1 1 440.588 3.779 20 0 IHADMO COC(=O)c1cccc2nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)ncc21 ZINC001164792245 721493250 /nfs/dbraw/zinc/49/32/50/721493250.db2.gz LKVZGBCDOGSQGB-UHFFFAOYSA-N 1 1 431.540 3.692 20 0 IHADMO 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C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(F)cccc32)[C@@H]2CCCO[C@@H]12 ZINC001164807192 721549210 /nfs/dbraw/zinc/54/92/10/721549210.db2.gz PZVFAKQIERIUOQ-QWFCFKBJSA-N 1 1 427.911 3.686 20 0 IHADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164908220 721550839 /nfs/dbraw/zinc/55/08/39/721550839.db2.gz PZUQXICYCMKRMU-ICSRJNTNSA-N 1 1 428.508 3.910 20 0 IHADMO Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164909653 721562517 /nfs/dbraw/zinc/56/25/17/721562517.db2.gz UMYZEWLWPUQJDP-ICSRJNTNSA-N 1 1 439.922 3.981 20 0 IHADMO Cc1nc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(Cl)c1C ZINC001164808808 721564621 /nfs/dbraw/zinc/56/46/21/721564621.db2.gz VRBJEODTINAYNL-SQNIBIBYSA-N 1 1 437.922 3.555 20 0 IHADMO Cc1nc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(Cl)c1C ZINC001164808808 721564622 /nfs/dbraw/zinc/56/46/22/721564622.db2.gz VRBJEODTINAYNL-SQNIBIBYSA-N 1 1 437.922 3.555 20 0 IHADMO 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COC(OC)c1cc(C)cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906938 721718783 /nfs/dbraw/zinc/71/87/83/721718783.db2.gz PBEPSSIRIJFUMN-QFIPXVFZSA-N 1 1 432.515 3.814 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(CN(C)C(C)C)nnc3C2)nc1 ZINC001165011019 721719028 /nfs/dbraw/zinc/71/90/28/721719028.db2.gz MDIQEQJAVAAQMT-OAQYLSRUSA-N 1 1 425.625 3.861 20 0 IHADMO FC1(F)CCN(c2cncc(N3CCCCCC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164909102 721731353 /nfs/dbraw/zinc/73/13/53/721731353.db2.gz BGRLCNJJQWECDH-HSZRJFAPSA-N 1 1 442.558 3.990 20 0 IHADMO COC(=O)c1ccc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164909399 721746569 /nfs/dbraw/zinc/74/65/69/721746569.db2.gz QZXBPQMNMGCHND-UHFFFAOYSA-N 1 1 443.507 3.599 20 0 IHADMO COC(=O)c1ccc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164909399 721746580 /nfs/dbraw/zinc/74/65/80/721746580.db2.gz QZXBPQMNMGCHND-UHFFFAOYSA-N 1 1 443.507 3.599 20 0 IHADMO COc1cc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2cc1OC ZINC001164910060 721749163 /nfs/dbraw/zinc/74/91/63/721749163.db2.gz ZYZWWPPITFVYOS-UHFFFAOYSA-N 1 1 445.523 3.830 20 0 IHADMO COc1cc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2cc1OC ZINC001164910060 721749172 /nfs/dbraw/zinc/74/91/72/721749172.db2.gz ZYZWWPPITFVYOS-UHFFFAOYSA-N 1 1 445.523 3.830 20 0 IHADMO COC(=O)c1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ccc1Cl ZINC001164909566 721753621 /nfs/dbraw/zinc/75/36/21/721753621.db2.gz IAKHQDRIDWNMJJ-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COC(=O)c1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ccc1Cl ZINC001164909566 721753626 /nfs/dbraw/zinc/75/36/26/721753626.db2.gz IAKHQDRIDWNMJJ-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO CCOC(=O)/C=C\c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164908967 721758145 /nfs/dbraw/zinc/75/81/45/721758145.db2.gz ANWNFEXHPKBUHA-CLFYSBASSA-N 1 1 432.524 3.841 20 0 IHADMO CCOC(=O)/C=C\c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164908967 721758147 /nfs/dbraw/zinc/75/81/47/721758147.db2.gz ANWNFEXHPKBUHA-CLFYSBASSA-N 1 1 432.524 3.841 20 0 IHADMO CSc1nc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2s1 ZINC001164911727 721758499 /nfs/dbraw/zinc/75/84/99/721758499.db2.gz XXAIMTUCLNGJCG-UHFFFAOYSA-N 1 1 438.582 3.991 20 0 IHADMO CSc1nc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2s1 ZINC001164911727 721758502 /nfs/dbraw/zinc/75/85/02/721758502.db2.gz XXAIMTUCLNGJCG-UHFFFAOYSA-N 1 1 438.582 3.991 20 0 IHADMO COC(=O)/C=C/c1cc(C)cnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910146 721759310 /nfs/dbraw/zinc/75/93/10/721759310.db2.gz OQALAMWDOLLIEE-VOTSOKGWSA-N 1 1 432.524 3.759 20 0 IHADMO COC(=O)/C=C/c1cc(C)cnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910146 721759314 /nfs/dbraw/zinc/75/93/14/721759314.db2.gz OQALAMWDOLLIEE-VOTSOKGWSA-N 1 1 432.524 3.759 20 0 IHADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](OCC3CC3)[C@H]3COC[C@@H]32)n1 ZINC001165014954 721763624 /nfs/dbraw/zinc/76/36/24/721763624.db2.gz KEWAQQXJVHSWFE-FHWLQOOXSA-N 1 1 430.618 3.780 20 0 IHADMO COc1cc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(Cl)n1 ZINC001164912256 721765917 /nfs/dbraw/zinc/76/59/17/721765917.db2.gz WKMKQLMTVJKBER-UHFFFAOYSA-N 1 1 449.889 3.866 20 0 IHADMO COc1cc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(Cl)n1 ZINC001164912256 721765921 /nfs/dbraw/zinc/76/59/21/721765921.db2.gz WKMKQLMTVJKBER-UHFFFAOYSA-N 1 1 449.889 3.866 20 0 IHADMO Cc1ccc2nc(Cl)cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912739 721776684 /nfs/dbraw/zinc/77/66/84/721776684.db2.gz PDHPWSJYMGHZOK-XMMPIXPASA-N 1 1 438.959 3.699 20 0 IHADMO Cc1ccc2nc(Cl)cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912739 721776688 /nfs/dbraw/zinc/77/66/88/721776688.db2.gz PDHPWSJYMGHZOK-XMMPIXPASA-N 1 1 438.959 3.699 20 0 IHADMO Fc1cc2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1Cl ZINC001164915749 721798842 /nfs/dbraw/zinc/79/88/42/721798842.db2.gz ZFIJDTDLNYEDFA-QHCPKHFHSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1cc2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1Cl ZINC001164915749 721798844 /nfs/dbraw/zinc/79/88/44/721798844.db2.gz ZFIJDTDLNYEDFA-QHCPKHFHSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1cccc2cc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164913912 721801417 /nfs/dbraw/zinc/80/14/17/721801417.db2.gz ITUFBADGKYWXDY-QHCPKHFHSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1cccc2cc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164913912 721801418 /nfs/dbraw/zinc/80/14/18/721801418.db2.gz ITUFBADGKYWXDY-QHCPKHFHSA-N 1 1 442.922 3.530 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C[C@H]21 ZINC001165019509 721801536 /nfs/dbraw/zinc/80/15/36/721801536.db2.gz CMCLSZMMPVHDCB-BMGDILEWSA-N 1 1 449.933 3.511 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)N3CCCCC3)C[C@H]21 ZINC001165026607 721802166 /nfs/dbraw/zinc/80/21/66/721802166.db2.gz RKOXILBUFVGOHA-TUACAJSNSA-N 1 1 433.600 3.840 20 0 IHADMO COC(=O)c1ccc2cnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2c1 ZINC001165028050 721803880 /nfs/dbraw/zinc/80/38/80/721803880.db2.gz XZNZOBVHNHNFNB-WPYKKVEZSA-N 1 1 431.540 3.548 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)n1 ZINC001164915501 721810077 /nfs/dbraw/zinc/81/00/77/721810077.db2.gz BIQBUJOEVIKGST-WAOWUJCRSA-N 1 1 449.020 3.988 20 0 IHADMO COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028208 721821337 /nfs/dbraw/zinc/82/13/37/721821337.db2.gz UVSQJMAYGWEYNN-YXJHDRRASA-N 1 1 437.922 3.815 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C[C@H]21 ZINC001165027418 721821777 /nfs/dbraw/zinc/82/17/77/721821777.db2.gz SCCGDFRCPQEMMW-LSBZLQRGSA-N 1 1 449.933 3.511 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C[C@H]21 ZINC001165027423 721821887 /nfs/dbraw/zinc/82/18/87/721821887.db2.gz SCCGDFRCPQEMMW-POZUXBRTSA-N 1 1 449.933 3.511 20 0 IHADMO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)no1 ZINC001165024627 721823031 /nfs/dbraw/zinc/82/30/31/721823031.db2.gz KUTMOACAFDGEOD-NYVOZVTQSA-N 1 1 446.555 3.762 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)C[C@H]21 ZINC001165019087 721828532 /nfs/dbraw/zinc/82/85/32/721828532.db2.gz AUBYNVZONXIASQ-NUEKZKHPSA-N 1 1 444.370 3.859 20 0 IHADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020687 721831235 /nfs/dbraw/zinc/83/12/35/721831235.db2.gz DEGLGTTZURCETO-UKBAYJJMSA-N 1 1 443.979 3.538 20 0 IHADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020685 721831432 /nfs/dbraw/zinc/83/14/32/721831432.db2.gz DEGLGTTZURCETO-NEPXVJNWSA-N 1 1 443.979 3.538 20 0 IHADMO COc1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(Cl)n1 ZINC001165029697 721831881 /nfs/dbraw/zinc/83/18/81/721831881.db2.gz XMRZVHKHMRNPNC-XIRDDKMYSA-N 1 1 437.922 3.815 20 0 IHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@@H]5[C@H]4CCC(=O)N5C)c23)C1 ZINC001164935596 721893412 /nfs/dbraw/zinc/89/34/12/721893412.db2.gz VZNRWGVRGYJCMN-KBAYOESNSA-N 1 1 439.629 3.611 20 0 IHADMO Fc1cccc(Oc2nc(Cl)nc(N3CC[NH+](CCOc4ccccc4)CC3)n2)c1 ZINC001165044234 721957851 /nfs/dbraw/zinc/95/78/51/721957851.db2.gz GMGBNEBVCXWSPY-UHFFFAOYSA-N 1 1 429.883 3.657 20 0 IHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164947735 721974567 /nfs/dbraw/zinc/97/45/67/721974567.db2.gz RSIKTXZZEMEXBW-UHFFFAOYSA-N 1 1 447.970 3.768 20 0 IHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164947735 721974569 /nfs/dbraw/zinc/97/45/69/721974569.db2.gz RSIKTXZZEMEXBW-UHFFFAOYSA-N 1 1 447.970 3.768 20 0 IHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164945802 721974595 /nfs/dbraw/zinc/97/45/95/721974595.db2.gz GDTUVOCBVKQFKS-UHFFFAOYSA-N 1 1 438.934 3.998 20 0 IHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164945802 721974596 /nfs/dbraw/zinc/97/45/96/721974596.db2.gz GDTUVOCBVKQFKS-UHFFFAOYSA-N 1 1 438.934 3.998 20 0 IHADMO COC[C@@]12COC[C@H]1CN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001164948046 721995235 /nfs/dbraw/zinc/99/52/35/721995235.db2.gz DBBHWVVNYPGVJA-OSPHWJPCSA-N 1 1 442.629 3.511 20 0 IHADMO O=C(NCc1ccccc1)c1cccnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955549 722013489 /nfs/dbraw/zinc/01/34/89/722013489.db2.gz WJZDVEPMACKZSS-UHFFFAOYSA-N 1 1 441.579 3.899 20 0 IHADMO Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164958209 722028890 /nfs/dbraw/zinc/02/88/90/722028890.db2.gz ODRRCMCZMDJDBA-NSHGMRRFSA-N 1 1 432.927 3.680 20 0 IHADMO COc1cccc(-c2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)c1 ZINC001164960675 722058211 /nfs/dbraw/zinc/05/82/11/722058211.db2.gz GXCIXKRVPHVHIW-UHFFFAOYSA-N 1 1 445.567 3.666 20 0 IHADMO c1ccc2c(c1)CCc1cnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc1-2 ZINC001164959960 722058863 /nfs/dbraw/zinc/05/88/63/722058863.db2.gz APLOGFLRIWVJFJ-UHFFFAOYSA-N 1 1 441.579 3.756 20 0 IHADMO c1cc(C[N@H+]2CCOCC3(CCN(c4cc(-c5nc(C6CC6)no5)ccn4)CC3)C2)ccn1 ZINC001164961672 722061444 /nfs/dbraw/zinc/06/14/44/722061444.db2.gz NWYBUXJWKKWIPZ-UHFFFAOYSA-N 1 1 446.555 3.523 20 0 IHADMO O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164963641 722064308 /nfs/dbraw/zinc/06/43/08/722064308.db2.gz BVMWIXMQTGKHOE-DHIUTWEWSA-N 1 1 445.592 3.590 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCN3C(=O)c2cscn2)nc1 ZINC001164966516 722065608 /nfs/dbraw/zinc/06/56/08/722065608.db2.gz VNJRFZVFENHACU-NJDAHSKKSA-N 1 1 425.602 3.969 20 0 IHADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967926 722072690 /nfs/dbraw/zinc/07/26/90/722072690.db2.gz VFWRUUVEJUYVDG-BETUJISGSA-N 1 1 429.298 3.781 20 0 IHADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967926 722072691 /nfs/dbraw/zinc/07/26/91/722072691.db2.gz VFWRUUVEJUYVDG-BETUJISGSA-N 1 1 429.298 3.781 20 0 IHADMO Fc1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164977172 722104309 /nfs/dbraw/zinc/10/43/09/722104309.db2.gz DVRMVTTUIDYYNC-DOTOQJQBSA-N 1 1 426.870 3.541 20 0 IHADMO Cc1ccc(C)c(-c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164983273 722145764 /nfs/dbraw/zinc/14/57/64/722145764.db2.gz SXGIPLRESGPSRA-DHLKQENFSA-N 1 1 429.568 3.883 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC001164991499 722187376 /nfs/dbraw/zinc/18/73/76/722187376.db2.gz PGLOALVZDRBEQL-KNQAVFIVSA-N 1 1 434.005 3.648 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC001164991499 722187377 /nfs/dbraw/zinc/18/73/77/722187377.db2.gz PGLOALVZDRBEQL-KNQAVFIVSA-N 1 1 434.005 3.648 20 0 IHADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995518 722200506 /nfs/dbraw/zinc/20/05/06/722200506.db2.gz NXPKPELBHDHVOC-QFIPXVFZSA-N 1 1 432.927 3.620 20 0 IHADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2nc4[nH]cnc4c(Cl)n2)C3)c1 ZINC001164995373 722208488 /nfs/dbraw/zinc/20/84/88/722208488.db2.gz MTKQIIHGEBCMEZ-IBGZPJMESA-N 1 1 436.869 3.887 20 0 IHADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2nc4[nH]cnc4c(Cl)n2)C3)c1 ZINC001164995373 722208492 /nfs/dbraw/zinc/20/84/92/722208492.db2.gz MTKQIIHGEBCMEZ-IBGZPJMESA-N 1 1 436.869 3.887 20 0 IHADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)cc2C1 ZINC001164994754 722213467 /nfs/dbraw/zinc/21/34/67/722213467.db2.gz DAFPOLADWHNSTL-KBMIEXCESA-N 1 1 438.547 3.529 20 0 IHADMO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164998788 722213747 /nfs/dbraw/zinc/21/37/47/722213747.db2.gz XUSRUIZYKYAOHZ-QFIPXVFZSA-N 1 1 431.943 3.654 20 0 IHADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164998508 722213779 /nfs/dbraw/zinc/21/37/79/722213779.db2.gz WHCBRLLSXUCHBA-NYHFZMIOSA-N 1 1 432.927 3.791 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](OCCOC)[C@@H]2Cc2cnn(C)c2)nc1 ZINC001164998740 722225175 /nfs/dbraw/zinc/22/51/75/722225175.db2.gz FECIZPKDHOXPBN-SGNDLWITSA-N 1 1 441.620 3.605 20 0 IHADMO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cn2cc(Br)ccc2n1)C(F)(F)F ZINC001175686198 1126148955 /nfs/dbraw/zinc/14/89/55/1126148955.db2.gz BUQZLAKMQMBUHD-WBVHZDCISA-N 1 1 428.252 3.721 20 0 IHADMO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164432647 718978443 /nfs/dbraw/zinc/97/84/43/718978443.db2.gz IFOYZEOHVAASOV-HXOBKFHXSA-N 1 1 446.617 3.698 20 0 IHADMO Cc1[nH+]cc2n1CCN([C@@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)C2 ZINC001164439831 718990401 /nfs/dbraw/zinc/99/04/01/718990401.db2.gz GLCCULPNOLCTFZ-NRFANRHFSA-N 1 1 447.345 3.942 20 0 IHADMO Cc1cc2nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc(N3CCOCC3)c2s1 ZINC001164621017 719085378 /nfs/dbraw/zinc/08/53/78/719085378.db2.gz GDPIMJGWDLYWQP-IFMALSPDSA-N 1 1 449.624 3.937 20 0 IHADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1C ZINC001164625968 719095055 /nfs/dbraw/zinc/09/50/55/719095055.db2.gz HTCUYUNGPNPJRF-VQIMIIECSA-N 1 1 439.947 3.509 20 0 IHADMO CCOC(=O)c1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C(=O)OCC ZINC001164621625 719114436 /nfs/dbraw/zinc/11/44/36/719114436.db2.gz AJGDCPDXRUMBDX-FPOVZHCZSA-N 1 1 437.540 3.536 20 0 IHADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164631025 719163785 /nfs/dbraw/zinc/16/37/85/719163785.db2.gz ADBJWIOTNRSGTE-DLBZAZTESA-N 1 1 431.519 3.556 20 0 IHADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]cnc3[nH]cc(C)c31)CC2 ZINC001164661359 719345193 /nfs/dbraw/zinc/34/51/93/719345193.db2.gz KOCKKPLDTLVYOX-UHFFFAOYSA-N 1 1 427.556 3.961 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N3CC=CC3)C3(C2)CCOCC3)nc1 ZINC001164677482 719561354 /nfs/dbraw/zinc/56/13/54/719561354.db2.gz OFWXTSAIFHZFJW-DHIUTWEWSA-N 1 1 438.616 3.650 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)nc1 ZINC001164684788 719599532 /nfs/dbraw/zinc/59/95/32/719599532.db2.gz JYVSMKBEKVUNJA-NFBKMPQASA-N 1 1 432.572 3.940 20 0 IHADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)ccc2ccc(Cl)nc21 ZINC001164703006 719877078 /nfs/dbraw/zinc/87/70/78/719877078.db2.gz JQJWNMCOQXEIIA-BTYIYWSLSA-N 1 1 438.355 3.774 20 0 IHADMO CC1(C)OCc2c1nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694754 719889932 /nfs/dbraw/zinc/88/99/32/719889932.db2.gz FGPQZAKJPKXEOR-UHFFFAOYSA-N 1 1 434.993 3.828 20 0 IHADMO COc1cc(OC)c2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164705517 719906216 /nfs/dbraw/zinc/90/62/16/719906216.db2.gz CSXGNRPGNKCWGE-UHFFFAOYSA-N 1 1 440.569 3.580 20 0 IHADMO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707549 719907179 /nfs/dbraw/zinc/90/71/79/719907179.db2.gz TYQIBGIRJWFRCC-UHFFFAOYSA-N 1 1 444.935 3.616 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CCC3)CC2 ZINC001164712961 720099071 /nfs/dbraw/zinc/09/90/71/720099071.db2.gz ZGROUEVRMQLCAC-GOSISDBHSA-N 1 1 427.980 3.521 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164718045 720118019 /nfs/dbraw/zinc/11/80/19/720118019.db2.gz QVINMTQAFCHCEB-NQIIRXRSSA-N 1 1 434.943 3.765 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3cccnc31)CC2 ZINC001164719605 720118956 /nfs/dbraw/zinc/11/89/56/720118956.db2.gz ZNODHUVZPSOIGC-GOSISDBHSA-N 1 1 438.963 3.581 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3cccc(OC)c3n1)CC2 ZINC001164719436 720120418 /nfs/dbraw/zinc/12/04/18/720120418.db2.gz WSUIJXNZBOVUJJ-NRFANRHFSA-N 1 1 433.556 3.541 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3nc[nH]c3cc1Cl)CC2 ZINC001164714824 720124497 /nfs/dbraw/zinc/12/44/97/720124497.db2.gz CFESDCOZIJKUKR-QGZVFWFLSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3[nH]cnc3cc1Cl)CC2 ZINC001164714824 720124508 /nfs/dbraw/zinc/12/45/08/720124508.db2.gz CFESDCOZIJKUKR-QGZVFWFLSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3[nH]cnc3cc1Cl)CC2 ZINC001164714824 720124514 /nfs/dbraw/zinc/12/45/14/720124514.db2.gz CFESDCOZIJKUKR-QGZVFWFLSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164713990 720133987 /nfs/dbraw/zinc/13/39/87/720133987.db2.gz USDYAHUGCHDWNE-QGZVFWFLSA-N 1 1 426.952 3.514 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164818170 720166452 /nfs/dbraw/zinc/16/64/52/720166452.db2.gz RYHVNFPQNJFCDN-RXFWQSSRSA-N 1 1 429.568 3.877 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001164813018 720171601 /nfs/dbraw/zinc/17/16/01/720171601.db2.gz BOHHUOYNVLWSPF-DVECYGJZSA-N 1 1 435.597 3.938 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)C2 ZINC001164813000 720192260 /nfs/dbraw/zinc/19/22/60/720192260.db2.gz BJEIMSPNZGHBPP-NLFFAJNJSA-N 1 1 438.572 3.771 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001164817088 720193618 /nfs/dbraw/zinc/19/36/18/720193618.db2.gz NYELSRUIXJIOIX-JPYJTQIMSA-N 1 1 435.996 3.875 20 0 IHADMO CC(C)c1cc2c(ncnc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)s1 ZINC001164814157 720208455 /nfs/dbraw/zinc/20/84/55/720208455.db2.gz TXYAOPUXUCKHFL-UHFFFAOYSA-N 1 1 426.590 3.622 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc3cc(F)c(Cl)cc31)CCC2 ZINC001164817781 720244024 /nfs/dbraw/zinc/24/40/24/720244024.db2.gz UNMFDJNMJZYVRA-UHFFFAOYSA-N 1 1 429.927 3.835 20 0 IHADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164722658 720359670 /nfs/dbraw/zinc/35/96/70/720359670.db2.gz GEXDBJUTIISQED-VQTJNVASSA-N 1 1 445.958 3.776 20 0 IHADMO Clc1nc2c(c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n1)CN(Cc1ccccc1)C2 ZINC001164726663 720360105 /nfs/dbraw/zinc/36/01/05/720360105.db2.gz QYANJMKWOPGJIC-GOTSBHOMSA-N 1 1 446.986 3.894 20 0 IHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723106 720370566 /nfs/dbraw/zinc/37/05/66/720370566.db2.gz GESJLMMYRZTOKG-OALUTQOASA-N 1 1 435.553 3.630 20 0 IHADMO O=C(c1cccnc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1)N1CCc2ccccc21 ZINC001164733795 720434044 /nfs/dbraw/zinc/43/40/44/720434044.db2.gz QBUDQFHOTPYDHK-BJKOFHAPSA-N 1 1 425.536 3.533 20 0 IHADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731956 720469040 /nfs/dbraw/zinc/46/90/40/720469040.db2.gz YGBLSOGRAZMILC-CVEARBPZSA-N 1 1 432.862 3.578 20 0 IHADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731956 720469056 /nfs/dbraw/zinc/46/90/56/720469056.db2.gz YGBLSOGRAZMILC-CVEARBPZSA-N 1 1 432.862 3.578 20 0 IHADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731639 720481287 /nfs/dbraw/zinc/48/12/87/720481287.db2.gz XBJGUTWOEKORLV-DLBZAZTESA-N 1 1 437.878 3.620 20 0 IHADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731639 720481289 /nfs/dbraw/zinc/48/12/89/720481289.db2.gz XBJGUTWOEKORLV-DLBZAZTESA-N 1 1 437.878 3.620 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4[nH]cc(Cl)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837916 720508479 /nfs/dbraw/zinc/50/84/79/720508479.db2.gz QOYNYWKUEOFBRK-IJEWVQPXSA-N 1 1 434.375 3.839 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(F)c(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836080 720516242 /nfs/dbraw/zinc/51/62/42/720516242.db2.gz MFKQDEKTFNBXRQ-HLLBOEOZSA-N 1 1 427.902 3.993 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nnc(Cl)cc3-c3ccncc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841729 720517052 /nfs/dbraw/zinc/51/70/52/720517052.db2.gz ZUCZNOZRSINMOQ-SVFBPWRDSA-N 1 1 437.979 3.766 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc(-c4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842557 720529002 /nfs/dbraw/zinc/52/90/02/720529002.db2.gz YHXMNBXDMIWTHA-SLFFLAALSA-N 1 1 437.979 3.766 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164842558 720529161 /nfs/dbraw/zinc/52/91/61/720529161.db2.gz YHXMNBXDMIWTHA-UFYCRDLUSA-N 1 1 437.979 3.766 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4cccc(F)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840247 720529213 /nfs/dbraw/zinc/52/92/13/720529213.db2.gz SIZJDVXYAWITNO-TXPKVOOTSA-N 1 1 428.943 3.997 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)CC[C@@H]21 ZINC001164841430 720537319 /nfs/dbraw/zinc/53/73/19/720537319.db2.gz VTOHYNSLPMQXEP-HFTRVMKXSA-N 1 1 427.902 3.993 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C(=O)OC(C)(C)C)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836357 720544095 /nfs/dbraw/zinc/54/40/95/720544095.db2.gz JRDQOPAHPBPASY-PCCBWWKXSA-N 1 1 425.577 3.611 20 0 IHADMO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837380 720548256 /nfs/dbraw/zinc/54/82/56/720548256.db2.gz MCTHPDALFLYFRA-XGHQBKJUSA-N 1 1 440.979 3.866 20 0 IHADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164838026 720557779 /nfs/dbraw/zinc/55/77/79/720557779.db2.gz NJEUHAYCUCTLFN-GVDBMIGSSA-N 1 1 439.938 3.863 20 0 IHADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164838031 720558251 /nfs/dbraw/zinc/55/82/51/720558251.db2.gz NJEUHAYCUCTLFN-YESZJQIVSA-N 1 1 439.938 3.863 20 0 IHADMO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164836350 720567808 /nfs/dbraw/zinc/56/78/08/720567808.db2.gz JPTYXEBVAJRHAF-MIZPHKNDSA-N 1 1 433.556 3.596 20 0 IHADMO CCCN(CCC)c1cncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164841411 720576477 /nfs/dbraw/zinc/57/64/77/720576477.db2.gz VBGDEGDILKOAPW-BHIFYINESA-N 1 1 425.625 3.677 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(-c4ccc(N(C)C)cc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843562 720583278 /nfs/dbraw/zinc/58/32/78/720583278.db2.gz YEFXMVFHAWLWDJ-UMXIMWEHSA-N 1 1 445.615 3.784 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)CC[C@@H]21 ZINC001164836707 720594989 /nfs/dbraw/zinc/59/49/89/720594989.db2.gz GOMWQEGUBBRSPO-VYDXJSESSA-N 1 1 446.386 3.906 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)CC[C@@H]21 ZINC001164844156 720621208 /nfs/dbraw/zinc/62/12/08/720621208.db2.gz ZLVFPOQOQFBGFC-FGSXEWAUSA-N 1 1 438.526 3.996 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4nc(C5CC5)no4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838726 720633594 /nfs/dbraw/zinc/63/35/94/720633594.db2.gz LDEUBPRQJGCVKY-QHAWAJNXSA-N 1 1 433.560 3.583 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(F)ccc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164842610 720648460 /nfs/dbraw/zinc/64/84/60/720648460.db2.gz SOUZZQGYRQKXIT-BXWFABGCSA-N 1 1 428.943 3.997 20 0 IHADMO Cc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164738415 720675836 /nfs/dbraw/zinc/67/58/36/720675836.db2.gz JJGDQOGHPZGNAO-RBUKOAKNSA-N 1 1 444.564 3.799 20 0 IHADMO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc[nH]c3nc(=S)sc1-3)CC2 ZINC001164836492 720708526 /nfs/dbraw/zinc/70/85/26/720708526.db2.gz BLQCMEYYAHOEFJ-MRXNPFEDSA-N 1 1 427.599 3.635 20 0 IHADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc[nH]c3nc(=S)sc1-3)CC2 ZINC001164836492 720708530 /nfs/dbraw/zinc/70/85/30/720708530.db2.gz BLQCMEYYAHOEFJ-MRXNPFEDSA-N 1 1 427.599 3.635 20 0 IHADMO CN(C)C(=O)c1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164837555 720714924 /nfs/dbraw/zinc/71/49/24/720714924.db2.gz DMSYTWMXIPEPPN-HXUWFJFHSA-N 1 1 442.991 3.697 20 0 IHADMO Clc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cc1 ZINC001164752619 720815083 /nfs/dbraw/zinc/81/50/83/720815083.db2.gz ZIPOMQICYKLVOQ-XKCSPQBFSA-N 1 1 449.990 3.768 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001164737364 720821182 /nfs/dbraw/zinc/82/11/82/720821182.db2.gz AJTOVBZPDKBXFM-SOLBZPMBSA-N 1 1 444.008 3.624 20 0 IHADMO COC[C@]12CCCO[C@@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164849951 720827869 /nfs/dbraw/zinc/82/78/69/720827869.db2.gz RILWOEBRTZMWFF-WZONZLPQSA-N 1 1 430.618 3.926 20 0 IHADMO Cc1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746751 720829600 /nfs/dbraw/zinc/82/96/00/720829600.db2.gz YVFVSJBUGJYVPZ-DBXWQHBBSA-N 1 1 437.979 3.563 20 0 IHADMO Cc1nc2cc(Cl)ccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743261 720829756 /nfs/dbraw/zinc/82/97/56/720829756.db2.gz RRYKBSSTYNOERD-LRXVAGHRSA-N 1 1 437.979 3.563 20 0 IHADMO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739254 720830307 /nfs/dbraw/zinc/83/03/07/720830307.db2.gz HWSFNHUKLBEZPD-JAXLGGSGSA-N 1 1 449.990 3.768 20 0 IHADMO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739975 720834284 /nfs/dbraw/zinc/83/42/84/720834284.db2.gz BEYAJYOZWAFEOS-KZNAEPCWSA-N 1 1 436.938 3.559 20 0 IHADMO c1ncn(C[C@H]2C[C@H]3CN(c4ncccc4OCc4ccccc4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749546 720845913 /nfs/dbraw/zinc/84/59/13/720845913.db2.gz WCMSHJHKLVLMMG-RBZQAINGSA-N 1 1 444.583 3.632 20 0 IHADMO CC(C)c1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164742395 720848552 /nfs/dbraw/zinc/84/85/52/720848552.db2.gz GHAGFBWKDVXITB-AWRGLXIESA-N 1 1 431.588 3.724 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@H]2C1 ZINC001164854816 720867467 /nfs/dbraw/zinc/86/74/67/720867467.db2.gz KVRNAUCXYJAFPB-HNAYVOBHSA-N 1 1 425.907 3.607 20 0 IHADMO CSc1cc(C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754946 720889590 /nfs/dbraw/zinc/88/95/90/720889590.db2.gz JXQPKTFTCCMPEE-QPPBQGQZSA-N 1 1 439.629 3.657 20 0 IHADMO c1c[nH]c(-c2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)n1 ZINC001164754380 720899396 /nfs/dbraw/zinc/89/93/96/720899396.db2.gz IPRKOEKUMJOPOS-ZEQKJWHPSA-N 1 1 444.583 3.622 20 0 IHADMO Fc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2[nH]ccc21 ZINC001164757883 720901346 /nfs/dbraw/zinc/90/13/46/720901346.db2.gz WBLNTHIFIPQLDF-CJFMBICVSA-N 1 1 435.547 3.852 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)[C@H]2C ZINC001164864816 721009969 /nfs/dbraw/zinc/00/99/69/721009969.db2.gz ZTQJJSNXHJWYHE-SFHVURJKSA-N 1 1 448.571 3.923 20 0 IHADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869516 721049483 /nfs/dbraw/zinc/04/94/83/721049483.db2.gz UCBPQLLVJYURTB-HZPDHXFCSA-N 1 1 429.298 3.808 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)cnc5c4)C[C@@H]3C2)cn1 ZINC001164771335 721118610 /nfs/dbraw/zinc/11/86/10/721118610.db2.gz SDYHCVZFHYYJNJ-HOTGVXAUSA-N 1 1 432.906 3.520 20 0 IHADMO Clc1ccc2[nH]c3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c3c2c1 ZINC001164877010 721132403 /nfs/dbraw/zinc/13/24/03/721132403.db2.gz NUMTWPOJPAOLDJ-QZTJIDSGSA-N 1 1 434.931 3.639 20 0 IHADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871581 721157769 /nfs/dbraw/zinc/15/77/69/721157769.db2.gz FUCOBLVSMMPFGW-XZOQPEGZSA-N 1 1 429.568 3.710 20 0 IHADMO Fc1ccc(COc2cccnc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164874562 721161492 /nfs/dbraw/zinc/16/14/92/721161492.db2.gz KQXXJFXNHQWYCD-XZOQPEGZSA-N 1 1 434.515 3.674 20 0 IHADMO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164874483 721162597 /nfs/dbraw/zinc/16/25/97/721162597.db2.gz KCCZMJPLFXIWFQ-RTBURBONSA-N 1 1 439.922 3.811 20 0 IHADMO c1cc2c(nc(-c3ccncc3)nc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164878506 721174160 /nfs/dbraw/zinc/17/41/60/721174160.db2.gz QJGPJYPUHLNKOM-PMACEKPBSA-N 1 1 444.564 3.628 20 0 IHADMO Fc1ccc2nc(C(F)F)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164875454 721174537 /nfs/dbraw/zinc/17/45/37/721174537.db2.gz LPXPISYQCWBJSQ-SJORKVTESA-N 1 1 429.446 3.581 20 0 IHADMO CSc1ccc(Oc2cc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ncn2)cc1 ZINC001164768698 721178900 /nfs/dbraw/zinc/17/89/00/721178900.db2.gz LOQBZSXKRLMVTP-RTBURBONSA-N 1 1 436.585 3.683 20 0 IHADMO CSc1ccc(Oc2cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)ncn2)cc1 ZINC001164768696 721179828 /nfs/dbraw/zinc/17/98/28/721179828.db2.gz LOQBZSXKRLMVTP-RBUKOAKNSA-N 1 1 436.585 3.683 20 0 IHADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773411 721198113 /nfs/dbraw/zinc/19/81/13/721198113.db2.gz XDZAPVQIKXTWGW-CEMLEFRQSA-N 1 1 445.615 3.700 20 0 IHADMO COC(=O)c1cc2c(nc1N1CCCC1)CC[N@H+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164775265 721308604 /nfs/dbraw/zinc/30/86/04/721308604.db2.gz BTIDXTZUVYPYFJ-UHFFFAOYSA-N 1 1 428.964 3.853 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4ccoc43)C2)C1 ZINC001164777629 721337607 /nfs/dbraw/zinc/33/76/07/721337607.db2.gz OVCKMSKAYZXUKA-OAQYLSRUSA-N 1 1 431.924 3.600 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccccc4)nn3)C2)C1 ZINC001164776350 721339452 /nfs/dbraw/zinc/33/94/52/721339452.db2.gz ARBFIVFZUHODNY-VWLOTQADSA-N 1 1 433.556 3.867 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccccc4)nn3)C2)C1 ZINC001164776350 721339457 /nfs/dbraw/zinc/33/94/57/721339457.db2.gz ARBFIVFZUHODNY-VWLOTQADSA-N 1 1 433.556 3.867 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cnc3Cl)C2)C1 ZINC001164777233 721347196 /nfs/dbraw/zinc/34/71/96/721347196.db2.gz FDXAIRTVTHXMEC-LJQANCHMSA-N 1 1 426.348 3.507 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cnc3Cl)C2)C1 ZINC001164777233 721347200 /nfs/dbraw/zinc/34/72/00/721347200.db2.gz FDXAIRTVTHXMEC-LJQANCHMSA-N 1 1 426.348 3.507 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164778191 721350233 /nfs/dbraw/zinc/35/02/33/721350233.db2.gz KKLJYLCRFRCNPD-NHCUHLMSSA-N 1 1 438.931 3.586 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164778191 721350236 /nfs/dbraw/zinc/35/02/36/721350236.db2.gz KKLJYLCRFRCNPD-NHCUHLMSSA-N 1 1 438.931 3.586 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1 ZINC001164888628 721352540 /nfs/dbraw/zinc/35/25/40/721352540.db2.gz XQHFHOQYMGAILI-UBFVSLLYSA-N 1 1 448.611 3.996 20 0 IHADMO CSc1ncc(Cl)nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164780319 721364081 /nfs/dbraw/zinc/36/40/81/721364081.db2.gz GBSYJAAEACQOSP-FQEVSTJZSA-N 1 1 437.997 3.576 20 0 IHADMO CSc1ncc(Cl)nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780319 721364083 /nfs/dbraw/zinc/36/40/83/721364083.db2.gz GBSYJAAEACQOSP-FQEVSTJZSA-N 1 1 437.997 3.576 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccncc4)nc(C)n3)C2)C1 ZINC001164780309 721370047 /nfs/dbraw/zinc/37/00/47/721370047.db2.gz FXYUSLXLASFHCY-RUZDIDTESA-N 1 1 448.571 3.571 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccncc4)nc(C)n3)C2)C1 ZINC001164780309 721370051 /nfs/dbraw/zinc/37/00/51/721370051.db2.gz FXYUSLXLASFHCY-RUZDIDTESA-N 1 1 448.571 3.571 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3C(C)C)C2)C1 ZINC001164782001 721373679 /nfs/dbraw/zinc/37/36/79/721373679.db2.gz LENCFQXFIYDQEC-JOCHJYFZSA-N 1 1 433.984 3.977 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3C(C)C)C2)C1 ZINC001164782001 721373682 /nfs/dbraw/zinc/37/36/82/721373682.db2.gz LENCFQXFIYDQEC-JOCHJYFZSA-N 1 1 433.984 3.977 20 0 IHADMO CSc1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(SC)n1 ZINC001164780685 721376190 /nfs/dbraw/zinc/37/61/90/721376190.db2.gz IBSFXDMNAPRZLQ-OAQYLSRUSA-N 1 1 449.646 3.644 20 0 IHADMO CSc1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(SC)n1 ZINC001164780685 721376195 /nfs/dbraw/zinc/37/61/95/721376195.db2.gz IBSFXDMNAPRZLQ-OAQYLSRUSA-N 1 1 449.646 3.644 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Cl)cc5)nn4)C3)O2)CC1 ZINC001164888553 721390026 /nfs/dbraw/zinc/39/00/26/721390026.db2.gz KBWADQRUUPNJKA-URXFXBBRSA-N 1 1 442.007 3.562 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nnc4-c4ccccc4)C3)O2)CC1 ZINC001164891137 721412122 /nfs/dbraw/zinc/41/21/22/721412122.db2.gz VHPOEFZOUCXSFM-GBXCKJPGSA-N 1 1 442.007 3.562 20 0 IHADMO Clc1ncc(OCc2ccccc2)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164788135 721412267 /nfs/dbraw/zinc/41/22/67/721412267.db2.gz QZKOJDBAWRBRNF-CALCHBBNSA-N 1 1 427.961 3.734 20 0 IHADMO Clc1ncc(OCc2ccccc2)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164788135 721412270 /nfs/dbraw/zinc/41/22/70/721412270.db2.gz QZKOJDBAWRBRNF-CALCHBBNSA-N 1 1 427.961 3.734 20 0 IHADMO Fc1cccc(Cn2ccc3c2ncnc3N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164788898 721413252 /nfs/dbraw/zinc/41/32/52/721413252.db2.gz SNGXNRGXYIJZGD-HDICACEKSA-N 1 1 434.544 3.643 20 0 IHADMO Fc1cccc(Cn2ccc3c2ncnc3N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164788898 721413254 /nfs/dbraw/zinc/41/32/54/721413254.db2.gz SNGXNRGXYIJZGD-HDICACEKSA-N 1 1 434.544 3.643 20 0 IHADMO COc1ccc2c(cc(Cl)nc2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164887758 721423386 /nfs/dbraw/zinc/42/33/86/721423386.db2.gz NJHOYRVDAZAWDX-GBXCKJPGSA-N 1 1 445.007 3.662 20 0 IHADMO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786412 721431191 /nfs/dbraw/zinc/43/11/91/721431191.db2.gz OREWHTIKVIGCBZ-VWKPWSFCSA-N 1 1 445.951 3.949 20 0 IHADMO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786412 721431194 /nfs/dbraw/zinc/43/11/94/721431194.db2.gz OREWHTIKVIGCBZ-VWKPWSFCSA-N 1 1 445.951 3.949 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5cccc(Cl)c5)nn4)C3)O2)CC1 ZINC001164899979 721434781 /nfs/dbraw/zinc/43/47/81/721434781.db2.gz ZRUAUZYNDDLBKE-ZJSXRUAMSA-N 1 1 442.007 3.562 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc5cccc(F)c54)C3)O2)CC1 ZINC001164893313 721453574 /nfs/dbraw/zinc/45/35/74/721453574.db2.gz ZBLOMAZUYNGOOA-FDDCHVKYSA-N 1 1 432.971 3.793 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164787814 721455641 /nfs/dbraw/zinc/45/56/41/721455641.db2.gz QSNHKUGKWZLNRH-SFHVURJKSA-N 1 1 448.011 3.654 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(OC(C)(C)C)n1)CC2 ZINC001164784321 721461858 /nfs/dbraw/zinc/46/18/58/721461858.db2.gz HJAZIFDKRDAPPP-NRFANRHFSA-N 1 1 431.621 3.993 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)cnc1Cl)CC2 ZINC001164789278 721465203 /nfs/dbraw/zinc/46/52/03/721465203.db2.gz WJCISRGROJHWPE-KRWDZBQOSA-N 1 1 441.041 3.586 20 0 IHADMO COCc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164897077 721514609 /nfs/dbraw/zinc/51/46/09/721514609.db2.gz DNHYSTOGWVGBDA-JTHBVZDNSA-N 1 1 434.515 3.771 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nnc(Cl)cc4-c4ccncc4)CC[N@H+]3C2)c1 ZINC001164899592 721516997 /nfs/dbraw/zinc/51/69/97/721516997.db2.gz LFPYAUXFLCLQDV-PKOBYXMFSA-N 1 1 425.895 3.673 20 0 IHADMO CSc1nc2sccc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164803007 721532007 /nfs/dbraw/zinc/53/20/07/721532007.db2.gz HDIYXRCFGDVOBE-SQNIBIBYSA-N 1 1 427.599 3.676 20 0 IHADMO CSc1nc2sccc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164803007 721532009 /nfs/dbraw/zinc/53/20/09/721532009.db2.gz HDIYXRCFGDVOBE-SQNIBIBYSA-N 1 1 427.599 3.676 20 0 IHADMO O=C(Nc1ccccc1)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906727 721536090 /nfs/dbraw/zinc/53/60/90/721536090.db2.gz LCIJLIMRIGRMQF-JTHBVZDNSA-N 1 1 432.499 3.815 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)s1 ZINC001164810084 721543898 /nfs/dbraw/zinc/54/38/98/721543898.db2.gz WXZPPMROZPTUHQ-SQNIBIBYSA-N 1 1 429.977 3.916 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)s1 ZINC001164810084 721543903 /nfs/dbraw/zinc/54/39/03/721543903.db2.gz WXZPPMROZPTUHQ-SQNIBIBYSA-N 1 1 429.977 3.916 20 0 IHADMO COc1cccc(Oc2cncc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)c1 ZINC001164907296 721545758 /nfs/dbraw/zinc/54/57/58/721545758.db2.gz MWFPAXJNOMEYRC-PGRDOPGGSA-N 1 1 436.487 3.759 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(Cc3ccccc3)n2)[C@@H]2CCCO[C@H]21 ZINC001164809592 721546921 /nfs/dbraw/zinc/54/69/21/721546921.db2.gz VPPUYNLLGKORTH-DNRQZRRGSA-N 1 1 449.986 3.984 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc(Cc3ccccc3)n2)[C@@H]2CCCO[C@H]21 ZINC001164809592 721546925 /nfs/dbraw/zinc/54/69/25/721546925.db2.gz VPPUYNLLGKORTH-DNRQZRRGSA-N 1 1 449.986 3.984 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)CC[N@H+]3C2)c1 ZINC001164908311 721549222 /nfs/dbraw/zinc/54/92/22/721549222.db2.gz PSZUXYAPSOKFOH-HIFRSBDPSA-N 1 1 447.288 3.895 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)CC[N@H+]3C2)c1 ZINC001164908308 721549275 /nfs/dbraw/zinc/54/92/75/721549275.db2.gz PSZUXYAPSOKFOH-DZGCQCFKSA-N 1 1 447.288 3.895 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)CC[N@H+]3C2)c1 ZINC001164908317 721549640 /nfs/dbraw/zinc/54/96/40/721549640.db2.gz PSZUXYAPSOKFOH-ZFWWWQNUSA-N 1 1 447.288 3.895 20 0 IHADMO CC(C)(C)c1noc(-c2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2)n1 ZINC001164912308 721549674 /nfs/dbraw/zinc/54/96/74/721549674.db2.gz YSGNMMYEZUQMAP-AZUAARDMSA-N 1 1 437.519 3.910 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1Cl ZINC001164800824 721560722 /nfs/dbraw/zinc/56/07/22/721560722.db2.gz FQBBFYCDHYXDTM-JTDSTZFVSA-N 1 1 438.906 3.552 20 0 IHADMO COc1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1Cl ZINC001164800824 721560725 /nfs/dbraw/zinc/56/07/25/721560725.db2.gz FQBBFYCDHYXDTM-JTDSTZFVSA-N 1 1 438.906 3.552 20 0 IHADMO CCOC(=O)c1cc2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164805822 721566751 /nfs/dbraw/zinc/56/67/51/721566751.db2.gz OZGXFYJQFVIERR-HJOGWXRNSA-N 1 1 446.551 3.675 20 0 IHADMO CCOC(=O)c1cc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164805822 721566756 /nfs/dbraw/zinc/56/67/56/721566756.db2.gz OZGXFYJQFVIERR-HJOGWXRNSA-N 1 1 446.551 3.675 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(C[C@@H]4C(=O)N(C)C)CC3)c2c1C ZINC001164903895 721570079 /nfs/dbraw/zinc/57/00/79/721570079.db2.gz SHBFMFLXXZTOBP-QGZVFWFLSA-N 1 1 427.618 3.599 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3cccc(F)c3)n2)[C@H]2CCCO[C@@H]12 ZINC001164809870 721571302 /nfs/dbraw/zinc/57/13/02/721571302.db2.gz XRZXBSUJAFRVOH-QZNHQXDQSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3cccc(F)c3)n2)[C@H]2CCCO[C@@H]12 ZINC001164809870 721571303 /nfs/dbraw/zinc/57/13/03/721571303.db2.gz XRZXBSUJAFRVOH-QZNHQXDQSA-N 1 1 435.503 3.671 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)cc3ncnc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164801045 721572351 /nfs/dbraw/zinc/57/23/51/721572351.db2.gz GHPBEZPBIMPCIC-DSKINZAPSA-N 1 1 427.911 3.686 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808596 721576908 /nfs/dbraw/zinc/57/69/08/721576908.db2.gz VEJOPTLOTOJTQL-FHWLQOOXSA-N 1 1 429.996 3.999 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(C3CC3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164806772 721580248 /nfs/dbraw/zinc/58/02/48/721580248.db2.gz MYTYLRILFOSUCE-ZCNNSNEGSA-N 1 1 449.933 3.816 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(C3CC3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164806772 721580249 /nfs/dbraw/zinc/58/02/49/721580249.db2.gz MYTYLRILFOSUCE-ZCNNSNEGSA-N 1 1 449.933 3.816 20 0 IHADMO CCOC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C ZINC001164903291 721583312 /nfs/dbraw/zinc/58/33/12/721583312.db2.gz KVYKSEMNAHJXPH-QFIPXVFZSA-N 1 1 430.499 3.699 20 0 IHADMO COC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164904160 721586286 /nfs/dbraw/zinc/58/62/86/721586286.db2.gz DKCWVFQCJBMPTI-FQEVSTJZSA-N 1 1 436.890 3.654 20 0 IHADMO FC(F)(c1cnc(Cl)cn1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906668 721586537 /nfs/dbraw/zinc/58/65/37/721586537.db2.gz OGTGXTJZHKRJDN-KRWDZBQOSA-N 1 1 429.849 3.808 20 0 IHADMO CCOC(=O)c1cc(C)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908013 721691412 /nfs/dbraw/zinc/69/14/12/721691412.db2.gz YACQGCUHPFRXBC-JOCHJYFZSA-N 1 1 430.499 3.699 20 0 IHADMO F[C@H](Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904945 721695524 /nfs/dbraw/zinc/69/55/24/721695524.db2.gz ICKSSZKHBKOEJT-RBUKOAKNSA-N 1 1 426.870 3.995 20 0 IHADMO CC(C)(C)C(=O)Nc1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164908786 721704044 /nfs/dbraw/zinc/70/40/44/721704044.db2.gz ZKAYTGVOZYVHNJ-JOCHJYFZSA-N 1 1 444.530 3.594 20 0 IHADMO FC1(F)CCN(c2ncnc3cc(Cl)cnc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908259 721711740 /nfs/dbraw/zinc/71/17/40/721711740.db2.gz WTCINEUTGDPGDJ-HXUWFJFHSA-N 1 1 430.890 3.811 20 0 IHADMO FC(F)(c1cncc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904342 721717274 /nfs/dbraw/zinc/71/72/74/721717274.db2.gz BVMZAZQHLPQYNO-QGZVFWFLSA-N 1 1 429.849 3.808 20 0 IHADMO CC(C)(C)NC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906820 721717874 /nfs/dbraw/zinc/71/78/74/721717874.db2.gz ONZDCGREDIHKDX-HSZRJFAPSA-N 1 1 443.542 3.743 20 0 IHADMO Fc1cccc(-c2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164909777 721728702 /nfs/dbraw/zinc/72/87/02/721728702.db2.gz DPULBDVCFLBMPE-QFIPXVFZSA-N 1 1 440.473 3.810 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C(=O)N1CCCC1)C2 ZINC001164908892 721744355 /nfs/dbraw/zinc/74/43/55/721744355.db2.gz NRTGARQMXFTRTQ-UHFFFAOYSA-N 1 1 431.540 3.500 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C(=O)N1CCCC1)C2 ZINC001164908892 721744367 /nfs/dbraw/zinc/74/43/67/721744367.db2.gz NRTGARQMXFTRTQ-UHFFFAOYSA-N 1 1 431.540 3.500 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3[nH]cc(F)c31)C2 ZINC001164909962 721744388 /nfs/dbraw/zinc/74/43/88/721744388.db2.gz VCAJKNIQBXGCMP-UHFFFAOYSA-N 1 1 426.883 3.933 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3[nH]cc(F)c31)C2 ZINC001164909962 721744395 /nfs/dbraw/zinc/74/43/95/721744395.db2.gz VCAJKNIQBXGCMP-UHFFFAOYSA-N 1 1 426.883 3.933 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1SCC3)C2 ZINC001164909429 721751075 /nfs/dbraw/zinc/75/10/75/721751075.db2.gz SUBUNNUIHYNFSB-UHFFFAOYSA-N 1 1 427.961 3.961 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1SCC3)C2 ZINC001164909429 721751081 /nfs/dbraw/zinc/75/10/81/721751081.db2.gz SUBUNNUIHYNFSB-UHFFFAOYSA-N 1 1 427.961 3.961 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164911144 721765379 /nfs/dbraw/zinc/76/53/79/721765379.db2.gz NABGLTFJRPRQNV-UHFFFAOYSA-N 1 1 435.862 3.737 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164911144 721765378 /nfs/dbraw/zinc/76/53/78/721765378.db2.gz NABGLTFJRPRQNV-UHFFFAOYSA-N 1 1 435.862 3.737 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@H]32)nc1 ZINC001165021767 721782653 /nfs/dbraw/zinc/78/26/53/721782653.db2.gz PKASFGICLMDLHR-WBJOIXBTSA-N 1 1 439.604 3.668 20 0 IHADMO Fc1cccc2cc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164913910 721801443 /nfs/dbraw/zinc/80/14/43/721801443.db2.gz ITUFBADGKYWXDY-HSZRJFAPSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1cccc2cc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164913910 721801445 /nfs/dbraw/zinc/80/14/45/721801445.db2.gz ITUFBADGKYWXDY-HSZRJFAPSA-N 1 1 442.922 3.530 20 0 IHADMO COC(=O)c1ccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165026130 721803950 /nfs/dbraw/zinc/80/39/50/721803950.db2.gz PYGJACPMSPRAFI-QTGUNEKASA-N 1 1 431.540 3.548 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4cc5c(cc43)OCCO5)C[C@@H]21 ZINC001165019533 721804729 /nfs/dbraw/zinc/80/47/29/721804729.db2.gz CRLXXKUPBFSHKN-RBDMOPTHSA-N 1 1 431.540 3.533 20 0 IHADMO COC(=O)c1cc2ccncc2nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021642 721815069 /nfs/dbraw/zinc/81/50/69/721815069.db2.gz FNBVTIULMRFFJM-ZEYPLWLESA-N 1 1 431.540 3.548 20 0 IHADMO CSc1nc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2s1 ZINC001165024863 721819114 /nfs/dbraw/zinc/81/91/14/721819114.db2.gz KRWMQHUQNNNATB-UAGQMJEPSA-N 1 1 426.615 3.940 20 0 IHADMO Cc1cc(NC(=O)c2cccnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)no1 ZINC001165024625 721823120 /nfs/dbraw/zinc/82/31/20/721823120.db2.gz KUTMOACAFDGEOD-BWAGFHJFSA-N 1 1 446.555 3.762 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)COc3ccc(Cl)nn3)C[C@@H]21 ZINC001165027290 721824022 /nfs/dbraw/zinc/82/40/22/721824022.db2.gz RVLKFVYTXVKETN-RYQLBKOJSA-N 1 1 437.922 3.729 20 0 IHADMO CN(C)C(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)c1 ZINC001165029591 721824943 /nfs/dbraw/zinc/82/49/43/721824943.db2.gz XGCWTLPEQYIQLK-LRQRDZAKSA-N 1 1 427.980 3.569 20 0 IHADMO COC(=O)c1cc(Cl)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C ZINC001165020689 721830101 /nfs/dbraw/zinc/83/01/01/721830101.db2.gz DFGDGTHQGOHEAL-LDQXTDLNSA-N 1 1 428.964 3.962 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(Cl)ncn2)CC1 ZINC001165018264 721837635 /nfs/dbraw/zinc/83/76/35/721837635.db2.gz VEHTUHNNNOJRBK-UHFFFAOYSA-N 1 1 426.895 3.793 20 0 IHADMO C[C@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001165036724 721883838 /nfs/dbraw/zinc/88/38/38/721883838.db2.gz MCDDXPAGJLAENH-AWEZNQCLSA-N 1 1 427.599 3.730 20 0 IHADMO O=C1NCCN(Cc2ccccc2)C12CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164945117 721975300 /nfs/dbraw/zinc/97/53/00/721975300.db2.gz CUJOFNLLOJYETE-UHFFFAOYSA-N 1 1 444.583 3.517 20 0 IHADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCC([NH+](CC)CC)CC2)cc1 ZINC001165053333 722004637 /nfs/dbraw/zinc/00/46/37/722004637.db2.gz NNMZHBCADDJDIJ-UHFFFAOYSA-N 1 1 432.590 3.592 20 0 IHADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC001165056011 722020287 /nfs/dbraw/zinc/02/02/87/722020287.db2.gz UHESVHIFFHCZAQ-UHFFFAOYSA-N 1 1 425.920 3.691 20 0 IHADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955264 722020395 /nfs/dbraw/zinc/02/03/95/722020395.db2.gz CLOLPSALSRHLOD-PLNGDYQASA-N 1 1 431.540 3.637 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)nc1 ZINC001164960983 722030005 /nfs/dbraw/zinc/03/00/05/722030005.db2.gz VHHYRKJTRIYUGC-SRUXOGRHSA-N 1 1 426.536 3.978 20 0 IHADMO Fc1ccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164959449 722053141 /nfs/dbraw/zinc/05/31/41/722053141.db2.gz JORUIOXGIPOFDS-UHFFFAOYSA-N 1 1 441.938 3.936 20 0 IHADMO CCCN(CCC)c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncn1 ZINC001164962530 722058154 /nfs/dbraw/zinc/05/81/54/722058154.db2.gz TWKMQMQVIRNHOV-UHFFFAOYSA-N 1 1 438.620 3.617 20 0 IHADMO COc1ccccc1-c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nn1 ZINC001164959982 722059957 /nfs/dbraw/zinc/05/99/57/722059957.db2.gz BLFKUTDXGWGZBJ-UHFFFAOYSA-N 1 1 445.567 3.666 20 0 IHADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967316 722076991 /nfs/dbraw/zinc/07/69/91/722076991.db2.gz ATKFAMGXMYYDLW-BGYRXZFFSA-N 1 1 449.624 3.719 20 0 IHADMO Clc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cc2ccccc2)n1 ZINC001164978318 722111063 /nfs/dbraw/zinc/11/10/63/722111063.db2.gz OKNKCYJZTPUXSX-VXKWHMMOSA-N 1 1 449.986 3.843 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983674 722129023 /nfs/dbraw/zinc/12/90/23/722129023.db2.gz YZQXXQCVLPPNEY-SIKLNZKXSA-N 1 1 429.524 3.807 20 0 IHADMO Cc1nc2sc3c(c2c(N2CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C2)n1)CCC3 ZINC001164983807 722138913 /nfs/dbraw/zinc/13/89/13/722138913.db2.gz VFBVSARZKJGMSB-AZUAARDMSA-N 1 1 435.597 3.611 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977010 722139641 /nfs/dbraw/zinc/13/96/41/722139641.db2.gz HNLZJEPFTVWVPC-OALUTQOASA-N 1 1 429.996 3.858 20 0 IHADMO Clc1cccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164974355 722141910 /nfs/dbraw/zinc/14/19/10/722141910.db2.gz DJHCNRUHVZYLFU-OFNKIYASSA-N 1 1 435.959 3.919 20 0 IHADMO Fc1ccc(COc2cccnc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164983795 722147108 /nfs/dbraw/zinc/14/71/08/722147108.db2.gz UXZKQHOMRKTZCY-DHLKQENFSA-N 1 1 448.542 3.922 20 0 IHADMO Fc1ccc2c(Cl)nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981666 722150134 /nfs/dbraw/zinc/15/01/34/722150134.db2.gz PYVACZFUNMQJID-JXFKEZNVSA-N 1 1 427.911 3.545 20 0 IHADMO Fc1ccc2c(Cl)ncnc2c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973335 722157051 /nfs/dbraw/zinc/15/70/51/722157051.db2.gz LXTSLZOCWZSRCM-LPHOPBHVSA-N 1 1 427.911 3.545 20 0 IHADMO Fc1ccc2c(Cl)ncnc2c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973329 722157184 /nfs/dbraw/zinc/15/71/84/722157184.db2.gz LXTSLZOCWZSRCM-APWZRJJASA-N 1 1 427.911 3.545 20 0 IHADMO CCOC(=O)c1cnc(SC)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995661 722191741 /nfs/dbraw/zinc/19/17/41/722191741.db2.gz WSLQNTOWWXCFIR-QFIPXVFZSA-N 1 1 430.549 3.759 20 0 IHADMO CON(C)C(=O)c1cc(Cl)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164997238 722200874 /nfs/dbraw/zinc/20/08/74/722200874.db2.gz XLCSIHDZPUQYCO-QFIPXVFZSA-N 1 1 432.927 3.752 20 0 IHADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)cc(O[C@H]4CCOC4)n2)C3)c1 ZINC001164995032 722212647 /nfs/dbraw/zinc/21/26/47/722212647.db2.gz FNQMGOXROQDTOI-AVRDEDQJSA-N 1 1 432.927 3.682 20 0 IHADMO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(Cc2cccc(F)c2)no1 ZINC001473840404 1126200800 /nfs/dbraw/zinc/20/08/00/1126200800.db2.gz XFXGFPKCXLLRRP-FQEVSTJZSA-N 1 1 434.309 3.645 20 0 IHADMO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nc(Cc2cccc(Br)c2)no1 ZINC001620625365 1126242523 /nfs/dbraw/zinc/24/25/23/1126242523.db2.gz RQSCPUUKYMOTIV-FQEVSTJZSA-N 1 1 434.309 3.645 20 0 IHADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC(F)C3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164415850 718884023 /nfs/dbraw/zinc/88/40/23/718884023.db2.gz OBNXLQRSMDBTES-KRWDZBQOSA-N 1 1 432.584 3.599 20 0 IHADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624940 719083711 /nfs/dbraw/zinc/08/37/11/719083711.db2.gz MBXNIYTUALUDDL-QZTJIDSGSA-N 1 1 448.398 3.721 20 0 IHADMO Cc1cc2nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc(N3CCOCC3)c2s1 ZINC001164621018 719086121 /nfs/dbraw/zinc/08/61/21/719086121.db2.gz GDPIMJGWDLYWQP-IRLDBZIGSA-N 1 1 449.624 3.937 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@H]3[C@H]2CC[C@@H]3OCc2ccncc2)n1 ZINC001164645010 719293845 /nfs/dbraw/zinc/29/38/45/719293845.db2.gz AEDCSKOXDRLGGK-URVUXULASA-N 1 1 428.964 3.679 20 0 IHADMO Cc1noc([C@@H]2C[C@H]3CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164648837 719298459 /nfs/dbraw/zinc/29/84/59/719298459.db2.gz GFBRFWUKKAMJIL-WTIAFYNJSA-N 1 1 431.540 3.688 20 0 IHADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncccc1C(=O)N1CCc3ccccc31)CC2 ZINC001164651214 719315213 /nfs/dbraw/zinc/31/52/13/719315213.db2.gz IHNGWMXBZIBDPH-UHFFFAOYSA-N 1 1 444.583 3.686 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)CC3CC3)C2)nc1 ZINC001164652093 719326573 /nfs/dbraw/zinc/32/65/73/719326573.db2.gz BGGDCQFVHFKGFV-VRIJDZSUSA-N 1 1 426.605 3.529 20 0 IHADMO COc1cc(Oc2ccnc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2)ccc1OCc1ccccc1 ZINC001164674276 719422258 /nfs/dbraw/zinc/42/22/58/719422258.db2.gz VQRQDXBQLQQPKK-RCZVLFRGSA-N 1 1 447.535 3.981 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCc4onc(Cn5ccnc5)c4C3)c2c1C ZINC001164677694 719565826 /nfs/dbraw/zinc/56/58/26/719565826.db2.gz RLKCGKIROKOKRM-UHFFFAOYSA-N 1 1 449.584 3.699 20 0 IHADMO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692155 719812600 /nfs/dbraw/zinc/81/26/00/719812600.db2.gz MNYVGUBNSNXLGQ-UHFFFAOYSA-N 1 1 435.981 3.707 20 0 IHADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4c2nc(C)n4C)CC3)cs1 ZINC001164691299 719813357 /nfs/dbraw/zinc/81/33/57/719813357.db2.gz FBIMLWZFOBBAQV-UHFFFAOYSA-N 1 1 431.997 3.725 20 0 IHADMO Cn1cc([C@H]2COC3(C2)CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)cn1 ZINC001164698859 719825460 /nfs/dbraw/zinc/82/54/60/719825460.db2.gz VMONMXJFMWNFBI-HSZRJFAPSA-N 1 1 443.595 3.917 20 0 IHADMO COC[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)Cc2cn(C)nc21 ZINC001164693336 719832185 /nfs/dbraw/zinc/83/21/85/719832185.db2.gz ABZTWTMTPPOUJL-SFHVURJKSA-N 1 1 440.617 3.778 20 0 IHADMO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164702821 719886339 /nfs/dbraw/zinc/88/63/39/719886339.db2.gz RAXFQOSFESIHFV-UHFFFAOYSA-N 1 1 435.977 3.845 20 0 IHADMO Nc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696721 719893092 /nfs/dbraw/zinc/89/30/92/719893092.db2.gz HVVBOOIHYWFYRC-UHFFFAOYSA-N 1 1 428.936 3.795 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc3cc(F)ccc31)CC2 ZINC001164716271 720107668 /nfs/dbraw/zinc/10/76/68/720107668.db2.gz KBMBAGJYDNBNDJ-NRFANRHFSA-N 1 1 435.547 3.980 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)C2 ZINC001164815532 720138561 /nfs/dbraw/zinc/13/85/61/720138561.db2.gz WIXSAJWNPSPPLF-ZHRRBRCNSA-N 1 1 447.942 3.641 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001164811560 720140882 /nfs/dbraw/zinc/14/08/82/720140882.db2.gz MLHFUJZENPSIOA-ZHRRBRCNSA-N 1 1 447.942 3.641 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164817117 720148681 /nfs/dbraw/zinc/14/86/81/720148681.db2.gz OAKSETJFAMRIRG-YKSBVNFPSA-N 1 1 426.992 3.906 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(SC)nc(SC)n1)CC2 ZINC001164715309 720155929 /nfs/dbraw/zinc/15/59/29/720155929.db2.gz UNBNZEOVBQIGLH-SFHVURJKSA-N 1 1 445.658 3.823 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c(C)cc(OC)cc31)CC2 ZINC001164715614 720159427 /nfs/dbraw/zinc/15/94/27/720159427.db2.gz VGXJLDFJRJVNHY-OAQYLSRUSA-N 1 1 447.583 3.849 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1N1CCCCC1)C2 ZINC001164813067 720159903 /nfs/dbraw/zinc/15/99/03/720159903.db2.gz CMBOOPQNWBOWIW-QFQXNSOFSA-N 1 1 435.616 3.805 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164815254 720201604 /nfs/dbraw/zinc/20/16/04/720201604.db2.gz XZYSAUMOCIKSAI-MAUKXSAKSA-N 1 1 434.795 3.883 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccccc3Cl)nn1)CCC2 ZINC001164814635 720229022 /nfs/dbraw/zinc/22/90/22/720229022.db2.gz ZTVPTXNTNDMDJW-UHFFFAOYSA-N 1 1 438.963 3.604 20 0 IHADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729807 720348579 /nfs/dbraw/zinc/34/85/79/720348579.db2.gz YEAOITGIOCOTFD-IAGOWNOFSA-N 1 1 434.922 3.523 20 0 IHADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729807 720348587 /nfs/dbraw/zinc/34/85/87/720348587.db2.gz YEAOITGIOCOTFD-IAGOWNOFSA-N 1 1 434.922 3.523 20 0 IHADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2n1 ZINC001164725230 720355917 /nfs/dbraw/zinc/35/59/17/720355917.db2.gz MSHGLBFQCUYKJQ-VXGBXAGGSA-N 1 1 436.734 3.628 20 0 IHADMO COc1cc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2cc1OC ZINC001164723866 720366076 /nfs/dbraw/zinc/36/60/76/720366076.db2.gz HTGXYZLKCPEWJR-ZWKOTPCHSA-N 1 1 425.920 3.549 20 0 IHADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164727592 720433288 /nfs/dbraw/zinc/43/32/88/720433288.db2.gz DLSZXLFWXDTWLU-ZWKOTPCHSA-N 1 1 437.569 3.733 20 0 IHADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727539 720488981 /nfs/dbraw/zinc/48/89/81/720488981.db2.gz NJKDCIVCPNETLS-KBPBESRZSA-N 1 1 436.919 3.619 20 0 IHADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727539 720488997 /nfs/dbraw/zinc/48/89/97/720488997.db2.gz NJKDCIVCPNETLS-KBPBESRZSA-N 1 1 436.919 3.619 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3F)CC[C@@H]21 ZINC001164832374 720511130 /nfs/dbraw/zinc/51/11/30/720511130.db2.gz AJLAOUXCEHNNRS-VYDXJSESSA-N 1 1 427.902 3.993 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835762 720513775 /nfs/dbraw/zinc/51/37/75/720513775.db2.gz LDZZPIKZHZDMMP-SOUVJXGZSA-N 1 1 445.345 3.903 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(F)c(Cl)n3)CC[C@@H]21 ZINC001164836084 720516271 /nfs/dbraw/zinc/51/62/71/720516271.db2.gz MFKQDEKTFNBXRQ-ZOBUZTSGSA-N 1 1 427.902 3.993 20 0 IHADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834675 720527541 /nfs/dbraw/zinc/52/75/41/720527541.db2.gz HATSHBBLUQIBDH-CEXWTWQISA-N 1 1 445.995 3.794 20 0 IHADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834679 720528284 /nfs/dbraw/zinc/52/82/84/720528284.db2.gz HATSHBBLUQIBDH-GUDVDZBRSA-N 1 1 445.995 3.794 20 0 IHADMO COC(=O)c1ccc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164834569 720533304 /nfs/dbraw/zinc/53/33/04/720533304.db2.gz DYQHJYYYCDFDIZ-QNWVGRARSA-N 1 1 433.556 3.596 20 0 IHADMO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c1 ZINC001164836629 720534803 /nfs/dbraw/zinc/53/48/03/720534803.db2.gz KKPMXRRGIMDNEY-QZNHQXDQSA-N 1 1 433.556 3.596 20 0 IHADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C ZINC001164838556 720540107 /nfs/dbraw/zinc/54/01/07/720540107.db2.gz ONFCJPWYXDYPHN-CMKODMSKSA-N 1 1 445.995 3.794 20 0 IHADMO COc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2n1 ZINC001164840651 720553331 /nfs/dbraw/zinc/55/33/31/720553331.db2.gz SJYNFRFGIMXHFI-ZIFCJYIRSA-N 1 1 440.979 3.866 20 0 IHADMO c1cn(Cc2ccccc2)c2cc[nH+]c(N3CCc4ncc(CN5CCCC5)n4CC3)c12 ZINC001164728025 720571083 /nfs/dbraw/zinc/57/10/83/720571083.db2.gz HLXLORMGGRQLMG-UHFFFAOYSA-N 1 1 426.568 3.940 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)CC[C@@H]21 ZINC001164835156 720583336 /nfs/dbraw/zinc/58/33/36/720583336.db2.gz AEIHOZZGMVIGAS-KKUMJFAQSA-N 1 1 442.967 3.538 20 0 IHADMO Cc1nc(-c2ccccn2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164837714 720625783 /nfs/dbraw/zinc/62/57/83/720625783.db2.gz ILNMUWMFEUWWIM-QZNHQXDQSA-N 1 1 431.588 3.730 20 0 IHADMO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc21 ZINC001164837218 720627806 /nfs/dbraw/zinc/62/78/06/720627806.db2.gz HPUMSVYKCYNLIV-SFYKDHMMSA-N 1 1 433.556 3.596 20 0 IHADMO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)s1 ZINC001164843143 720630621 /nfs/dbraw/zinc/63/06/21/720630621.db2.gz WXDHQXIOYQZGAB-SVFBPWRDSA-N 1 1 437.617 3.791 20 0 IHADMO Cc1cc(OCc2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164835988 720632393 /nfs/dbraw/zinc/63/23/93/720632393.db2.gz DPHMFPNBURLGBV-RBZQAINGSA-N 1 1 446.599 3.938 20 0 IHADMO CCOC(=O)/C=C\c1cccnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840968 720663854 /nfs/dbraw/zinc/66/38/54/720663854.db2.gz OJSCVZMVYDAZCN-DGVDTQEHSA-N 1 1 435.568 3.918 20 0 IHADMO Cc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164738412 720676073 /nfs/dbraw/zinc/67/60/73/720676073.db2.gz JJGDQOGHPZGNAO-OALUTQOASA-N 1 1 444.564 3.799 20 0 IHADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740046 720678725 /nfs/dbraw/zinc/67/87/25/720678725.db2.gz PGPFRTDKXBLREF-DLBZAZTESA-N 1 1 431.874 3.565 20 0 IHADMO COC(=O)c1ccc(Cl)c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839853 720695044 /nfs/dbraw/zinc/69/50/44/720695044.db2.gz CBFVZDPRSNBUMC-SFHVURJKSA-N 1 1 429.948 3.782 20 0 IHADMO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840270 720705078 /nfs/dbraw/zinc/70/50/78/720705078.db2.gz OJYLJFSOLDCRMR-AXKWSIDASA-N 1 1 435.568 3.836 20 0 IHADMO C[C@H]1CCCN(c2cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ncn2)C1 ZINC001164838288 720720372 /nfs/dbraw/zinc/72/03/72/720720372.db2.gz HTTDXJXMSIRJFP-JTHBVZDNSA-N 1 1 435.616 3.973 20 0 IHADMO Cc1ccc(-c2nnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164740477 720755811 /nfs/dbraw/zinc/75/58/11/720755811.db2.gz LJFVQHMIJKJOJZ-NHCUHLMSSA-N 1 1 438.535 3.737 20 0 IHADMO O=C1CC[C@H]2[C@@H](CCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)N1c1ccccc1 ZINC001164847864 720763457 /nfs/dbraw/zinc/76/34/57/720763457.db2.gz NTZJNTVBSFHNQG-LOSJGSFVSA-N 1 1 439.563 3.809 20 0 IHADMO O=C1CC[C@H]2[C@@H](CCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)N1c1ccccc1 ZINC001164847864 720763467 /nfs/dbraw/zinc/76/34/67/720763467.db2.gz NTZJNTVBSFHNQG-LOSJGSFVSA-N 1 1 439.563 3.809 20 0 IHADMO O=C1CC[C@@H]2[C@H](CCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)N1c1ccccc1 ZINC001164847865 720763822 /nfs/dbraw/zinc/76/38/22/720763822.db2.gz NTZJNTVBSFHNQG-RPBOFIJWSA-N 1 1 439.563 3.809 20 0 IHADMO O=C1CC[C@@H]2[C@H](CCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)N1c1ccccc1 ZINC001164847865 720763831 /nfs/dbraw/zinc/76/38/31/720763831.db2.gz NTZJNTVBSFHNQG-RPBOFIJWSA-N 1 1 439.563 3.809 20 0 IHADMO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(C)cc2c1 ZINC001164747522 720809733 /nfs/dbraw/zinc/80/97/33/720809733.db2.gz OKWOVDOBEUODRJ-PQNGQFLHSA-N 1 1 432.572 3.523 20 0 IHADMO Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(Cl)n1 ZINC001164742214 720811767 /nfs/dbraw/zinc/81/17/67/720811767.db2.gz CMJGJRADMHEQPH-QXAKKESOSA-N 1 1 436.938 3.559 20 0 IHADMO Clc1cc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)ccn1 ZINC001164745631 720818560 /nfs/dbraw/zinc/81/85/60/720818560.db2.gz XKUCUWSMXNUDRV-BHIFYINESA-N 1 1 449.990 3.768 20 0 IHADMO Clc1cc(-c2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)ccn1 ZINC001164745633 720818679 /nfs/dbraw/zinc/81/86/79/720818679.db2.gz XKUCUWSMXNUDRV-YPAWHYETSA-N 1 1 449.990 3.768 20 0 IHADMO Clc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(-c2ccccc2)nn1 ZINC001164737696 720829011 /nfs/dbraw/zinc/82/90/11/720829011.db2.gz CBRLPLPETBOGFI-PWRODBHTSA-N 1 1 449.990 3.768 20 0 IHADMO Cc1cccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164740549 720839887 /nfs/dbraw/zinc/83/98/87/720839887.db2.gz CSLHBEHXTOVHMC-WSTZPKSXSA-N 1 1 437.979 3.563 20 0 IHADMO c1ncn(C[C@H]2C[C@@H]3CN(c4ncccc4OCc4ccccc4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749559 720845629 /nfs/dbraw/zinc/84/56/29/720845629.db2.gz WCMSHJHKLVLMMG-WXFUMESZSA-N 1 1 444.583 3.632 20 0 IHADMO CC(C)c1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164742399 720848269 /nfs/dbraw/zinc/84/82/69/720848269.db2.gz GHAGFBWKDVXITB-PQNGQFLHSA-N 1 1 431.588 3.724 20 0 IHADMO CC(C)c1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164742402 720848441 /nfs/dbraw/zinc/84/84/41/720848441.db2.gz GHAGFBWKDVXITB-YZUZCNPQSA-N 1 1 431.588 3.724 20 0 IHADMO Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751859 720856292 /nfs/dbraw/zinc/85/62/92/720856292.db2.gz RDQDORIUOVRHHA-SLFFLAALSA-N 1 1 444.027 3.608 20 0 IHADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164749752 720856800 /nfs/dbraw/zinc/85/68/00/720856800.db2.gz OEVUKFPGHIZQLH-KCUHQSDYSA-N 1 1 444.027 3.923 20 0 IHADMO Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164753062 720857430 /nfs/dbraw/zinc/85/74/30/720857430.db2.gz VUOJMOZQNUBGQF-KIFXHHALSA-N 1 1 447.562 3.562 20 0 IHADMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1-c1ccccc1F ZINC001164746098 720858158 /nfs/dbraw/zinc/85/81/58/720858158.db2.gz FQDZAIBBPMPXGC-MIZPHKNDSA-N 1 1 447.562 3.562 20 0 IHADMO Cc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164748053 720868099 /nfs/dbraw/zinc/86/80/99/720868099.db2.gz DNLAKNXCFLPPIJ-URXFXBBRSA-N 1 1 442.007 3.897 20 0 IHADMO Cc1nnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751532 720879578 /nfs/dbraw/zinc/87/95/78/720879578.db2.gz KUYLDEZTMVMIDS-REWPJTCUSA-N 1 1 427.980 3.589 20 0 IHADMO COc1cc(Cl)ncc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758212 720882602 /nfs/dbraw/zinc/88/26/02/720882602.db2.gz XVIGREDGBPSYOX-HYBUGGRVSA-N 1 1 442.991 3.894 20 0 IHADMO COc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753197 720886351 /nfs/dbraw/zinc/88/63/51/720886351.db2.gz GCYLNCYKYCLMJD-GBXCKJPGSA-N 1 1 442.991 3.894 20 0 IHADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)cc1 ZINC001164859888 720890252 /nfs/dbraw/zinc/89/02/52/720890252.db2.gz MYRIJQKWUDGJSW-RXVVDRJESA-N 1 1 446.979 3.658 20 0 IHADMO Cc1nc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164757455 720891259 /nfs/dbraw/zinc/89/12/59/720891259.db2.gz UZQKPJVFSRAGDN-QPPBQGQZSA-N 1 1 442.007 3.897 20 0 IHADMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)c1Cl ZINC001164755621 720896048 /nfs/dbraw/zinc/89/60/48/720896048.db2.gz MFCKEAJBNHAULY-XUZZJYLKSA-N 1 1 442.007 3.897 20 0 IHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nccnc2OC2CCC2)C3)c1 ZINC001164753802 720929874 /nfs/dbraw/zinc/92/98/74/720929874.db2.gz TUUNJZIQUUEBQN-NVQXNPDNSA-N 1 1 449.599 3.558 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)[C@H]2C ZINC001164863442 720971724 /nfs/dbraw/zinc/97/17/24/720971724.db2.gz VMGJDUNKGGDKMI-HNNXBMFYSA-N 1 1 433.000 3.881 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)[C@@H]2C ZINC001164856364 721002537 /nfs/dbraw/zinc/00/25/37/721002537.db2.gz BYDQHTHBZKZQNE-QGZVFWFLSA-N 1 1 434.544 3.533 20 0 IHADMO COc1ccc(CN(C)c2ccnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)n2)cc1 ZINC001164857359 721015756 /nfs/dbraw/zinc/01/57/56/721015756.db2.gz DIJDHWIGOJJNJK-LJQANCHMSA-N 1 1 449.603 3.740 20 0 IHADMO FC(F)(c1ccc(Cl)nc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866547 721050249 /nfs/dbraw/zinc/05/02/49/721050249.db2.gz FGPHIZYMORHUQC-GJZGRUSLSA-N 1 1 429.298 3.808 20 0 IHADMO Clc1cc2c(Cl)ccnc2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865183 721082933 /nfs/dbraw/zinc/08/29/33/721082933.db2.gz JLCFOWLQEXYGRA-HOTGVXAUSA-N 1 1 430.339 3.811 20 0 IHADMO Clc1ccc2c(c1)nc(Cl)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864929 721087242 /nfs/dbraw/zinc/08/72/42/721087242.db2.gz HNVODNLBIWBOPR-SJORKVTESA-N 1 1 430.339 3.811 20 0 IHADMO Clc1cc(Cc2ccccc2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866178 721120722 /nfs/dbraw/zinc/12/07/22/721120722.db2.gz RQWZKYPDXUBWMG-FCHUYYIVSA-N 1 1 435.959 3.596 20 0 IHADMO Cc1cccc(Sc2cncc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164876519 721125440 /nfs/dbraw/zinc/12/54/40/721125440.db2.gz MYUFBXPYZYPNGO-SFTDATJTSA-N 1 1 433.581 3.811 20 0 IHADMO Fc1ccc(COc2cccnc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164874560 721160305 /nfs/dbraw/zinc/16/03/05/721160305.db2.gz KQXXJFXNHQWYCD-GOTSBHOMSA-N 1 1 434.515 3.674 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164764956 721160946 /nfs/dbraw/zinc/16/09/46/721160946.db2.gz INAPEIFDCZOEHG-HOTGVXAUSA-N 1 1 432.906 3.520 20 0 IHADMO Clc1ccc2c(Cl)nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164880982 721169620 /nfs/dbraw/zinc/16/96/20/721169620.db2.gz YMOWYVHLGAAHIB-SJORKVTESA-N 1 1 430.339 3.811 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)C[C@H]3C2)cn1 ZINC001164768605 721190895 /nfs/dbraw/zinc/19/08/95/721190895.db2.gz LKEWIXLTUWRWFM-DHIUTWEWSA-N 1 1 438.579 3.912 20 0 IHADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773413 721196510 /nfs/dbraw/zinc/19/65/10/721196510.db2.gz XDZAPVQIKXTWGW-HJNYFJLDSA-N 1 1 445.615 3.700 20 0 IHADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773412 721197653 /nfs/dbraw/zinc/19/76/53/721197653.db2.gz XDZAPVQIKXTWGW-FCEUIQTBSA-N 1 1 445.615 3.700 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccc(F)cc4)C[C@@H]3C2)cn1 ZINC001164771913 721206416 /nfs/dbraw/zinc/20/64/16/721206416.db2.gz RYWVKOOREMRBMZ-SJORKVTESA-N 1 1 442.926 3.753 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)nc(-c5ccc(F)cc5)n4)C[C@@H]3C2)cn1 ZINC001164765830 721213988 /nfs/dbraw/zinc/21/39/88/721213988.db2.gz IMFTZDKDWPMPNW-MSOLQXFVSA-N 1 1 426.927 3.628 20 0 IHADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164763274 721238933 /nfs/dbraw/zinc/23/89/33/721238933.db2.gz NALTZDGNPLRHRS-RBUKOAKNSA-N 1 1 438.963 3.923 20 0 IHADMO C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164875763 721240866 /nfs/dbraw/zinc/24/08/66/721240866.db2.gz WSQTWYJECAJETM-LJQANCHMSA-N 1 1 444.583 3.739 20 0 IHADMO C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164875763 721240874 /nfs/dbraw/zinc/24/08/74/721240874.db2.gz WSQTWYJECAJETM-LJQANCHMSA-N 1 1 444.583 3.739 20 0 IHADMO C[NH+]1CCC(Oc2ccnc(N3CCc4c(COCc5ccccn5)cncc4C3)c2)CC1 ZINC001164763143 721270965 /nfs/dbraw/zinc/27/09/65/721270965.db2.gz CFIZVJSAYWXPBM-UHFFFAOYSA-N 1 1 445.567 3.624 20 0 IHADMO CC[N@H+]1CCCC[C@H]1c1ccc(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)nc1 ZINC001164876778 721329597 /nfs/dbraw/zinc/32/95/97/721329597.db2.gz QBRZGWAUFQBCMO-RTWAWAEBSA-N 1 1 445.571 3.944 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4cc(F)ccc43)C2)C1 ZINC001164780041 721342757 /nfs/dbraw/zinc/34/27/57/721342757.db2.gz YTKJRTQMVFZCLR-XMMPIXPASA-N 1 1 439.535 3.801 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@]3(C(=O)NCC3CC3)C2)nc1 ZINC001164881749 721345741 /nfs/dbraw/zinc/34/57/41/721345741.db2.gz AMZSRTHSQSNZQT-SLSDLSHTSA-N 1 1 426.605 3.530 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1 ZINC001164883767 721352654 /nfs/dbraw/zinc/35/26/54/721352654.db2.gz LSZWLPZGBPNOKS-RBZQAINGSA-N 1 1 434.584 3.606 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4c(nc3Cl)CCCC4)C2)C1 ZINC001164784524 721376253 /nfs/dbraw/zinc/37/62/53/721376253.db2.gz PVRVPKAIZZBBBQ-QHCPKHFHSA-N 1 1 445.995 3.733 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4c(nc3Cl)CCCC4)C2)C1 ZINC001164784524 721376255 /nfs/dbraw/zinc/37/62/55/721376255.db2.gz PVRVPKAIZZBBBQ-QHCPKHFHSA-N 1 1 445.995 3.733 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(Cl)c4)C3)O2)CC1 ZINC001164892814 721384130 /nfs/dbraw/zinc/38/41/30/721384130.db2.gz STWUITKLWMYLNL-APWZRJJASA-N 1 1 449.373 3.699 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)C3)O2)CC1 ZINC001164892872 721395165 /nfs/dbraw/zinc/39/51/65/721395165.db2.gz UFCZJDYADMWXOK-QPPBQGQZSA-N 1 1 442.007 3.562 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)C3)O2)CC1 ZINC001164892876 721395337 /nfs/dbraw/zinc/39/53/37/721395337.db2.gz UFCZJDYADMWXOK-ZJSXRUAMSA-N 1 1 442.007 3.562 20 0 IHADMO Cc1ccc2nc(Cl)cc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164886155 721401208 /nfs/dbraw/zinc/40/12/08/721401208.db2.gz HVKNIYWPWXZKTD-CYFREDJKSA-N 1 1 429.008 3.962 20 0 IHADMO Cc1ccc2nc(Cl)cc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164886159 721401532 /nfs/dbraw/zinc/40/15/32/721401532.db2.gz HVKNIYWPWXZKTD-DVECYGJZSA-N 1 1 429.008 3.962 20 0 IHADMO Clc1ncc(OCc2ccccc2)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164788144 721411865 /nfs/dbraw/zinc/41/18/65/721411865.db2.gz QZKOJDBAWRBRNF-IRXDYDNUSA-N 1 1 427.961 3.734 20 0 IHADMO Cc1nc(C2CCCCC2)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164897707 721429851 /nfs/dbraw/zinc/42/98/51/721429851.db2.gz UNCGACTXXQSEBV-RCZVLFRGSA-N 1 1 427.637 3.598 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3ccc(F)cc31)CC2 ZINC001164786004 721452829 /nfs/dbraw/zinc/45/28/29/721452829.db2.gz LTGGPXZFQLZCKT-HXUWFJFHSA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3)nn1)CC2 ZINC001164787860 721453374 /nfs/dbraw/zinc/45/33/74/721453374.db2.gz QYOOHEBDMLCMJD-QHCPKHFHSA-N 1 1 436.600 3.878 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164787765 721454131 /nfs/dbraw/zinc/45/41/31/721454131.db2.gz QGBVEELYVZORSM-IBGZPJMESA-N 1 1 449.039 3.743 20 0 IHADMO CCc1cc2c(ncnc2N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)s1 ZINC001164789313 721459070 /nfs/dbraw/zinc/45/90/70/721459070.db2.gz WVBLVTWWKAUOSY-LJQANCHMSA-N 1 1 444.645 3.988 20 0 IHADMO CCOc1ccc(Cl)nc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164789245 721461442 /nfs/dbraw/zinc/46/14/42/721461442.db2.gz VZWLVVAOAGAQRX-IBGZPJMESA-N 1 1 438.012 3.868 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164787624 721462628 /nfs/dbraw/zinc/46/26/28/721462628.db2.gz RQAQVMMKQIUEEO-HXUWFJFHSA-N 1 1 442.629 3.939 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3cc(OC)ccc3cn1)CC2 ZINC001164786896 721463700 /nfs/dbraw/zinc/46/37/00/721463700.db2.gz QHLZRALWGTVNLZ-QHCPKHFHSA-N 1 1 439.600 3.977 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(C)sc31)CC2 ZINC001164789337 721464567 /nfs/dbraw/zinc/46/45/67/721464567.db2.gz XBFXCFWILKGMLV-LJQANCHMSA-N 1 1 430.618 3.734 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164788785 721467379 /nfs/dbraw/zinc/46/73/79/721467379.db2.gz KRPFDJMVUCGXSG-HSZRJFAPSA-N 1 1 436.600 3.878 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3c(OC)cccc31)CC2 ZINC001164789434 721468878 /nfs/dbraw/zinc/46/88/78/721468878.db2.gz MTKPJFIOEXTGLM-OAQYLSRUSA-N 1 1 439.600 3.977 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)nc1 ZINC001164899483 721490638 /nfs/dbraw/zinc/49/06/38/721490638.db2.gz KQJLLZFAXYSWCC-IFMALSPDSA-N 1 1 426.605 3.673 20 0 IHADMO COc1cc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c(OC)c1 ZINC001164792023 721496870 /nfs/dbraw/zinc/49/68/70/721496870.db2.gz KACZJTKRXPASTJ-UHFFFAOYSA-N 1 1 433.556 3.923 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)nc1 ZINC001164897627 721502251 /nfs/dbraw/zinc/50/22/51/721502251.db2.gz NLDUJFMOTHXGRL-FGZHOGPDSA-N 1 1 428.621 3.776 20 0 IHADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)n4)CC[N@H+]3C2)c1 ZINC001164897169 721512351 /nfs/dbraw/zinc/51/23/51/721512351.db2.gz DWPONMGKLPGUGO-GXTWGEPZSA-N 1 1 433.261 3.809 20 0 IHADMO CSc1nc(Cl)cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164896318 721514247 /nfs/dbraw/zinc/51/42/47/721514247.db2.gz AZFICAIFSOWYEJ-ZFWWWQNUSA-N 1 1 444.910 3.878 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nnc(Cl)cc4-c4ccncc4)CC[N@H+]3C2)c1 ZINC001164899589 721517122 /nfs/dbraw/zinc/51/71/22/721517122.db2.gz LFPYAUXFLCLQDV-MJGOQNOKSA-N 1 1 425.895 3.673 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)ncc4Cl)CC[N@H+]3C2)c1 ZINC001164897652 721522321 /nfs/dbraw/zinc/52/23/21/721522321.db2.gz GEAABIIWZHZQPU-JSGCOSHPSA-N 1 1 433.261 3.809 20 0 IHADMO COc1cc2c(cc1Cl)ncnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908634 721535740 /nfs/dbraw/zinc/53/57/40/721535740.db2.gz PWAZMXWUTDJTCH-WBVHZDCISA-N 1 1 428.895 3.773 20 0 IHADMO COc1cccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164908330 721538294 /nfs/dbraw/zinc/53/82/94/721538294.db2.gz PTKNJVMBTOMTJW-RDJZCZTQSA-N 1 1 428.895 3.773 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)[C@@H]2CCCO[C@@H]12 ZINC001164811211 721550033 /nfs/dbraw/zinc/55/00/33/721550033.db2.gz ZNIXZGLNVBMCSB-KZNAEPCWSA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)[C@@H]2CCCO[C@@H]12 ZINC001164811211 721550035 /nfs/dbraw/zinc/55/00/35/721550035.db2.gz ZNIXZGLNVBMCSB-KZNAEPCWSA-N 1 1 426.870 3.682 20 0 IHADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164908225 721551018 /nfs/dbraw/zinc/55/10/18/721551018.db2.gz PZUQXICYCMKRMU-UYAOXDASSA-N 1 1 428.508 3.910 20 0 IHADMO COC(=O)C[C@H](c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)C1CC1 ZINC001164911262 721551172 /nfs/dbraw/zinc/55/11/72/721551172.db2.gz YMXSYHNTPSTZJM-PUHATCMVSA-N 1 1 439.531 3.619 20 0 IHADMO COc1cc2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1OC ZINC001164809928 721558565 /nfs/dbraw/zinc/55/85/65/721558565.db2.gz YHGIEGKZXKFDJO-ZFGGDYGUSA-N 1 1 434.540 3.515 20 0 IHADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[N@H+]3C2)c1 ZINC001164908649 721561211 /nfs/dbraw/zinc/56/12/11/721561211.db2.gz RKJITXGOXGMAAB-CTNGQTDRSA-N 1 1 431.515 3.508 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808606 721576943 /nfs/dbraw/zinc/57/69/43/721576943.db2.gz VEJOPTLOTOJTQL-QYZOEREBSA-N 1 1 429.996 3.999 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(C3CC3)nnc2Cl)[C@@H]2CCCO[C@@H]21 ZINC001164806764 721580171 /nfs/dbraw/zinc/58/01/71/721580171.db2.gz MYTYLRILFOSUCE-AQNXPRMDSA-N 1 1 449.933 3.816 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(C3CC3)nnc2Cl)[C@@H]2CCCO[C@@H]21 ZINC001164806764 721580176 /nfs/dbraw/zinc/58/01/76/721580176.db2.gz MYTYLRILFOSUCE-AQNXPRMDSA-N 1 1 449.933 3.816 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164800932 721586053 /nfs/dbraw/zinc/58/60/53/721586053.db2.gz DBUFZJLHNFMOMD-ZCNNSNEGSA-N 1 1 427.911 3.686 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164800932 721586054 /nfs/dbraw/zinc/58/60/54/721586054.db2.gz DBUFZJLHNFMOMD-ZCNNSNEGSA-N 1 1 427.911 3.686 20 0 IHADMO FC1(F)CCN(c2nnc(Cl)c3ccncc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908436 721586965 /nfs/dbraw/zinc/58/69/65/721586965.db2.gz ZFHZEHDDWSFSRC-HXUWFJFHSA-N 1 1 430.890 3.811 20 0 IHADMO Cc1cc(OCc2ccccc2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164804191 721587396 /nfs/dbraw/zinc/58/73/96/721587396.db2.gz IZCWVWCCEXYOCU-GIFXNVAJSA-N 1 1 445.567 3.627 20 0 IHADMO Cc1cc(OCc2ccccc2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164804191 721587398 /nfs/dbraw/zinc/58/73/98/721587398.db2.gz IZCWVWCCEXYOCU-GIFXNVAJSA-N 1 1 445.567 3.627 20 0 IHADMO F[C@@H](Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904947 721695555 /nfs/dbraw/zinc/69/55/55/721695555.db2.gz ICKSSZKHBKOEJT-RTBURBONSA-N 1 1 426.870 3.995 20 0 IHADMO Nc1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907327 721707447 /nfs/dbraw/zinc/70/74/47/721707447.db2.gz QYNZFYHFJSPJFQ-GOSISDBHSA-N 1 1 443.876 3.995 20 0 IHADMO CSc1nc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2s1 ZINC001164904838 721716162 /nfs/dbraw/zinc/71/61/62/721716162.db2.gz DHGCLOZXDDUXLQ-LJQANCHMSA-N 1 1 448.568 3.941 20 0 IHADMO Nc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164908531 721722274 /nfs/dbraw/zinc/72/22/74/721722274.db2.gz XPQGSLDYQHNLIY-GOSISDBHSA-N 1 1 443.876 3.995 20 0 IHADMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccccn2)n1 ZINC001164904372 721723368 /nfs/dbraw/zinc/72/33/68/721723368.db2.gz CPPBXADMLWGSFA-HSZRJFAPSA-N 1 1 436.510 3.980 20 0 IHADMO [O-][n+]1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1Cl ZINC001164912627 721738357 /nfs/dbraw/zinc/73/83/57/721738357.db2.gz OYOSLRFWYMTJFH-SFHVURJKSA-N 1 1 444.860 3.651 20 0 IHADMO COC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025119 721803866 /nfs/dbraw/zinc/80/38/66/721803866.db2.gz NPGLQHFDPVRXFB-ZEYPLWLESA-N 1 1 431.540 3.548 20 0 IHADMO COc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165027170 721804932 /nfs/dbraw/zinc/80/49/32/721804932.db2.gz TZYWMHONVANZDV-XJABCFGWSA-N 1 1 433.556 3.779 20 0 IHADMO COc1cc(OC)c2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165022173 721831407 /nfs/dbraw/zinc/83/14/07/721831407.db2.gz GMHYZGSCSHXMLD-WTOYTKOKSA-N 1 1 433.556 3.779 20 0 IHADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)n2)cc1 ZINC001164930476 721856403 /nfs/dbraw/zinc/85/64/03/721856403.db2.gz SDSLVOBMAWNPLJ-XZOQPEGZSA-N 1 1 435.547 3.659 20 0 IHADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164930476 721856405 /nfs/dbraw/zinc/85/64/05/721856405.db2.gz SDSLVOBMAWNPLJ-XZOQPEGZSA-N 1 1 435.547 3.659 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H](CC(=O)NC4CCC4)OC[C@@H]3C2)nc1 ZINC001164931197 721897798 /nfs/dbraw/zinc/89/77/98/721897798.db2.gz DMPOGXSOIPYFGM-RBVMOCNTSA-N 1 1 440.632 3.919 20 0 IHADMO C[N@@H+](Cc1ccc(N2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)nc1)C1CC1 ZINC001164928212 721899098 /nfs/dbraw/zinc/89/90/98/721899098.db2.gz MSCFNSGGQSPSKZ-AREMUKBSSA-N 1 1 427.552 3.811 20 0 IHADMO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940151 721928042 /nfs/dbraw/zinc/92/80/42/721928042.db2.gz QSEGZZLUIJYPFV-LUAWRHEFSA-N 1 1 435.568 3.838 20 0 IHADMO COC(=O)c1cc2c[nH]c(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)cc-2n1 ZINC001164939008 721929735 /nfs/dbraw/zinc/92/97/35/721929735.db2.gz GQKMNBAKBATIIJ-UHFFFAOYSA-N 1 1 434.540 3.529 20 0 IHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc3sccc31)CC2 ZINC001164945013 721972644 /nfs/dbraw/zinc/97/26/44/721972644.db2.gz MWBKAQBBQASSGK-UHFFFAOYSA-N 1 1 426.973 3.921 20 0 IHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc3sccc31)CC2 ZINC001164945013 721972646 /nfs/dbraw/zinc/97/26/46/721972646.db2.gz MWBKAQBBQASSGK-UHFFFAOYSA-N 1 1 426.973 3.921 20 0 IHADMO COC[C@@]12COC[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164954455 721995135 /nfs/dbraw/zinc/99/51/35/721995135.db2.gz VWNWFJFKKHNBHZ-XDHUDOTRSA-N 1 1 442.629 3.655 20 0 IHADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955265 722020669 /nfs/dbraw/zinc/02/06/69/722020669.db2.gz CLOLPSALSRHLOD-SNAWJCMRSA-N 1 1 431.540 3.637 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)nc1 ZINC001164956133 722035133 /nfs/dbraw/zinc/03/51/33/722035133.db2.gz CCZNAGQRSAARLJ-JQYIIUTOSA-N 1 1 433.600 3.946 20 0 IHADMO O=C(c1ccco1)N1CC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164956645 722046766 /nfs/dbraw/zinc/04/67/66/722046766.db2.gz CDGCDKDXMIPWQW-GMAHTHKFSA-N 1 1 428.536 3.584 20 0 IHADMO Fc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963851 722055586 /nfs/dbraw/zinc/05/55/86/722055586.db2.gz OADVCSKZZDBBOO-UHFFFAOYSA-N 1 1 440.897 3.933 20 0 IHADMO Fc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(Cl)nn1 ZINC001164967857 722078014 /nfs/dbraw/zinc/07/80/14/722078014.db2.gz LDXNIKAKMVAFRZ-GASCZTMLSA-N 1 1 438.881 3.780 20 0 IHADMO Fc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c(Cl)nn1 ZINC001164967857 722078016 /nfs/dbraw/zinc/07/80/16/722078016.db2.gz LDXNIKAKMVAFRZ-GASCZTMLSA-N 1 1 438.881 3.780 20 0 IHADMO O=C(NC1CCC1)C1C[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164973359 722084764 /nfs/dbraw/zinc/08/47/64/722084764.db2.gz NOYSBJAAHPTGLE-DHIUTWEWSA-N 1 1 430.596 3.771 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1 ZINC001164974172 722090779 /nfs/dbraw/zinc/09/07/79/722090779.db2.gz NKPMCRMDUOPVED-ILWGZMRPSA-N 1 1 440.613 3.628 20 0 IHADMO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001164975491 722097659 /nfs/dbraw/zinc/09/76/59/722097659.db2.gz BZPZSMFRLFOPOI-RZUBCFFCSA-N 1 1 439.991 3.877 20 0 IHADMO Fc1ccc2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981651 722103464 /nfs/dbraw/zinc/10/34/64/722103464.db2.gz LUTLSHCEIPORJU-JXFKEZNVSA-N 1 1 427.911 3.545 20 0 IHADMO Clc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164979894 722104300 /nfs/dbraw/zinc/10/43/00/722104300.db2.gz IFWNHMBYHODYKR-OFNKIYASSA-N 1 1 435.959 3.919 20 0 IHADMO Cc1nc2c3ccccc3oc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983676 722128969 /nfs/dbraw/zinc/12/89/69/722128969.db2.gz YZQXXQCVLPPNEY-UGKGYDQZSA-N 1 1 429.524 3.807 20 0 IHADMO c1ccc(COc2cccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164981137 722133164 /nfs/dbraw/zinc/13/31/64/722133164.db2.gz OQPFGBGGIYWFSD-BJKOFHAPSA-N 1 1 430.552 3.783 20 0 IHADMO CC(C)(C)c1noc(-c2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164977070 722135984 /nfs/dbraw/zinc/13/59/84/722135984.db2.gz IKXZNUJXJPVJLF-SFTDATJTSA-N 1 1 448.571 3.551 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC001164991494 722187363 /nfs/dbraw/zinc/18/73/63/722187363.db2.gz PGLOALVZDRBEQL-DENIHFKCSA-N 1 1 434.005 3.648 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC001164991494 722187364 /nfs/dbraw/zinc/18/73/64/722187364.db2.gz PGLOALVZDRBEQL-DENIHFKCSA-N 1 1 434.005 3.648 20 0 IHADMO CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ccc([C@@H]3CCCC[N@H+]3CC)cn1)CC2 ZINC001164992027 722187742 /nfs/dbraw/zinc/18/77/42/722187742.db2.gz RJAYRBZAFDBUCA-YADHBBJMSA-N 1 1 428.621 3.730 20 0 IHADMO NC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164994002 722192364 /nfs/dbraw/zinc/19/23/64/722192364.db2.gz KOMMMNGFDGASPS-HXUWFJFHSA-N 1 1 438.881 3.763 20 0 IHADMO NC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164994002 722192368 /nfs/dbraw/zinc/19/23/68/722192368.db2.gz KOMMMNGFDGASPS-HXUWFJFHSA-N 1 1 438.881 3.763 20 0 IHADMO COC(=O)c1c(Cl)cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1OC ZINC001164993786 722206779 /nfs/dbraw/zinc/20/67/79/722206779.db2.gz BLWABBUOGZODPH-QFIPXVFZSA-N 1 1 433.911 3.914 20 0 IHADMO CC(C)N1Cc2c(nc(Cl)nc2N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)C1=O ZINC001164996351 722206836 /nfs/dbraw/zinc/20/68/36/722206836.db2.gz UHXRYHXVCDKHGT-HSZRJFAPSA-N 1 1 443.954 3.878 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001165000378 722220417 /nfs/dbraw/zinc/22/04/17/722220417.db2.gz WRHHSVPNTDQGLU-QFQXNSOFSA-N 1 1 448.567 3.991 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165001415 722249873 /nfs/dbraw/zinc/24/98/73/722249873.db2.gz QBLLORIIRXFFNR-PXDATVDWSA-N 1 1 438.572 3.733 20 0 IHADMO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cn2ccc(Br)cc2n1)C(F)(F)F ZINC000685616206 1126106453 /nfs/dbraw/zinc/10/64/53/1126106453.db2.gz CTJWLEWGFZAMEJ-RDJZCZTQSA-N 1 1 428.252 3.721 20 0 IHADMO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cn2cc(Br)ccc2n1)C(F)(F)F ZINC001175686197 1126148823 /nfs/dbraw/zinc/14/88/23/1126148823.db2.gz BUQZLAKMQMBUHD-RDJZCZTQSA-N 1 1 428.252 3.721 20 0 IHADMO Cn1c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)nc2ccc(Br)cc21 ZINC001197297832 1126154053 /nfs/dbraw/zinc/15/40/53/1126154053.db2.gz RWPWVXZUSCEBQK-QAPCUYQASA-N 1 1 442.279 3.960 20 0 IHADMO COc1ccccc1-c1nnc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)o1 ZINC001198219793 1126155141 /nfs/dbraw/zinc/15/51/41/1126155141.db2.gz SGUPWGJONTXQEZ-HXUWFJFHSA-N 1 1 432.318 3.591 20 0 IHADMO Cc1ccccc1Cc1noc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001620418850 1126240133 /nfs/dbraw/zinc/24/01/33/1126240133.db2.gz GJCGPTPKLNYJTM-QFIPXVFZSA-N 1 1 442.357 3.741 20 0 IHADMO CCOC(=O)[C@@]12CCO[C@H]1CCN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)C2 ZINC001164432646 718978909 /nfs/dbraw/zinc/97/89/09/718978909.db2.gz IFOYZEOHVAASOV-GAJHUEQPSA-N 1 1 446.617 3.698 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)CC3CC3)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164652089 719326494 /nfs/dbraw/zinc/32/64/94/719326494.db2.gz BGGDCQFVHFKGFV-IYXIZZNPSA-N 1 1 426.605 3.529 20 0 IHADMO Cn1ncc2c1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C[C@H]2COc1cccnc1 ZINC001164687120 719597698 /nfs/dbraw/zinc/59/76/98/719597698.db2.gz RDWPXLGBNMWCKO-SFHVURJKSA-N 1 1 438.963 3.642 20 0 IHADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncccc2C(=O)N2CCCC2)CC3)cs1 ZINC001164691753 719803408 /nfs/dbraw/zinc/80/34/08/719803408.db2.gz JRCWZQLKZVFHEI-UHFFFAOYSA-N 1 1 425.602 3.718 20 0 IHADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)COc2cncc(Cl)n2)CC3)cs1 ZINC001164691542 719813908 /nfs/dbraw/zinc/81/39/08/719813908.db2.gz GSCWUQNQXXTLPU-UHFFFAOYSA-N 1 1 443.951 3.997 20 0 IHADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)COc2cncc(Cl)n2)CC3)cs1 ZINC001164691542 719813909 /nfs/dbraw/zinc/81/39/09/719813909.db2.gz GSCWUQNQXXTLPU-UHFFFAOYSA-N 1 1 443.951 3.997 20 0 IHADMO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695293 719886774 /nfs/dbraw/zinc/88/67/74/719886774.db2.gz LROVKTSTAZQRIV-BQYQJAHWSA-N 1 1 427.570 3.591 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c1Cl ZINC001164810385 720091266 /nfs/dbraw/zinc/09/12/66/720091266.db2.gz LKFLRHIBODARRX-BTYIYWSLSA-N 1 1 442.387 3.750 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nccc(Cl)n1)CC2 ZINC001164712715 720099483 /nfs/dbraw/zinc/09/94/83/720099483.db2.gz YLNBUZGYRCXEGF-KRWDZBQOSA-N 1 1 437.922 3.577 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3Cc1ccccc1)C2 ZINC001164807333 720126182 /nfs/dbraw/zinc/12/61/82/720126182.db2.gz BXRUXGFHBLCELC-GJZUVCINSA-N 1 1 431.584 3.664 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nccnc1Cl)CC2 ZINC001164712192 720136958 /nfs/dbraw/zinc/13/69/58/720136958.db2.gz KVCOMZULYCBXCV-KRWDZBQOSA-N 1 1 437.922 3.577 20 0 IHADMO CCCSc1cncc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714792 720146721 /nfs/dbraw/zinc/14/67/21/720146721.db2.gz ZEVBQTLRISCYOZ-FQEVSTJZSA-N 1 1 427.618 3.881 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164818386 720153900 /nfs/dbraw/zinc/15/39/00/720153900.db2.gz SLNIGSINRMCRIT-RDTXWAMCSA-N 1 1 435.346 3.599 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncccc1OCc1ccc(F)cc1)C2 ZINC001164812396 720179050 /nfs/dbraw/zinc/17/90/50/720179050.db2.gz AFVRQBSBZFWQHH-SQJMNOBHSA-N 1 1 425.548 3.984 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc3cc(F)ccc31)CCC2 ZINC001164811494 720208165 /nfs/dbraw/zinc/20/81/65/720208165.db2.gz IRGXFHNFOHUQKO-UHFFFAOYSA-N 1 1 429.927 3.835 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc(C(C)(C)C)sc31)CCC2 ZINC001164814101 720216585 /nfs/dbraw/zinc/21/65/85/720216585.db2.gz TVYSODPCUSXJGI-UHFFFAOYSA-N 1 1 440.617 3.796 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3cccc(Cl)c3)nn1)CCC2 ZINC001164814524 720236477 /nfs/dbraw/zinc/23/64/77/720236477.db2.gz XAEVZGUXMRZCLF-UHFFFAOYSA-N 1 1 438.963 3.604 20 0 IHADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723103 720369731 /nfs/dbraw/zinc/36/97/31/720369731.db2.gz GESJLMMYRZTOKG-MOPGFXCFSA-N 1 1 435.553 3.630 20 0 IHADMO Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)O2)n1 ZINC001164832047 720404220 /nfs/dbraw/zinc/40/42/20/720404220.db2.gz YJEKGJIKLDZTED-VABKMULXSA-N 1 1 431.540 3.830 20 0 IHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732826 720416418 /nfs/dbraw/zinc/41/64/18/720416418.db2.gz OLSDSKNFYAZJAX-RTBURBONSA-N 1 1 431.874 3.956 20 0 IHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732826 720416423 /nfs/dbraw/zinc/41/64/23/720416423.db2.gz OLSDSKNFYAZJAX-RTBURBONSA-N 1 1 431.874 3.956 20 0 IHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732823 720416990 /nfs/dbraw/zinc/41/69/90/720416990.db2.gz OLSDSKNFYAZJAX-MOPGFXCFSA-N 1 1 431.874 3.956 20 0 IHADMO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732823 720416996 /nfs/dbraw/zinc/41/69/96/720416996.db2.gz OLSDSKNFYAZJAX-MOPGFXCFSA-N 1 1 431.874 3.956 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735381 720432876 /nfs/dbraw/zinc/43/28/76/720432876.db2.gz WTVPQEBMTSKAJE-MSOLQXFVSA-N 1 1 442.901 3.985 20 0 IHADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164735381 720432883 /nfs/dbraw/zinc/43/28/83/720432883.db2.gz WTVPQEBMTSKAJE-MSOLQXFVSA-N 1 1 442.901 3.985 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840011 720510549 /nfs/dbraw/zinc/51/05/49/720510549.db2.gz VTMUZNKMJIRCMY-IJEWVQPXSA-N 1 1 445.345 3.903 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC[C@@H]21 ZINC001164833985 720511528 /nfs/dbraw/zinc/51/15/28/720511528.db2.gz DZMBPEZTBLSFNP-KKUMJFAQSA-N 1 1 445.345 3.903 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4ccc(F)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837920 720514811 /nfs/dbraw/zinc/51/48/11/720514811.db2.gz QPYOOSHGTDKMDI-OXFYSEKESA-N 1 1 428.943 3.997 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(F)c(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836082 720515917 /nfs/dbraw/zinc/51/59/17/720515917.db2.gz MFKQDEKTFNBXRQ-YQQAZPJKSA-N 1 1 427.902 3.993 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)COc3ccnc(Cl)c3)CC[C@@H]21 ZINC001164834647 720539275 /nfs/dbraw/zinc/53/92/75/720539275.db2.gz FOGMFBWHRDJKND-AOIWGVFYSA-N 1 1 439.938 3.777 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)ccc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835889 720540191 /nfs/dbraw/zinc/54/01/91/720540191.db2.gz IXRFFCWGALFQFP-YQQAZPJKSA-N 1 1 427.902 3.993 20 0 IHADMO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc2ccccc21 ZINC001164837366 720541015 /nfs/dbraw/zinc/54/10/15/720541015.db2.gz MBGMVRNFPBGERN-YOSAUDMPSA-N 1 1 447.583 3.986 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)ncc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836576 720542526 /nfs/dbraw/zinc/54/25/26/720542526.db2.gz KCFWHUYXHVHAJP-RLFYNMQTSA-N 1 1 427.902 3.993 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ccc3CN3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842938 720557218 /nfs/dbraw/zinc/55/72/18/720557218.db2.gz ZBQGBADJDQKXPI-FDFHNCONSA-N 1 1 443.039 3.905 20 0 IHADMO COc1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl ZINC001164838029 720557335 /nfs/dbraw/zinc/55/73/35/720557335.db2.gz NJEUHAYCUCTLFN-IXDOHACOSA-N 1 1 439.938 3.863 20 0 IHADMO CCCN(CCC)c1cncc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164841413 720574463 /nfs/dbraw/zinc/57/44/63/720574463.db2.gz VBGDEGDILKOAPW-YPAWHYETSA-N 1 1 425.625 3.677 20 0 IHADMO COc1cccc(Oc2cncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)n2)c1 ZINC001164836368 720574881 /nfs/dbraw/zinc/57/48/81/720574881.db2.gz JRQLDPKIRBSADP-ZRCGQRJVSA-N 1 1 448.571 3.852 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4c(F)cccc4F)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844158 720621998 /nfs/dbraw/zinc/62/19/98/720621998.db2.gz ZLVFPOQOQFBGFC-NPPFBWRTSA-N 1 1 438.526 3.996 20 0 IHADMO Cc1nc(-c2ccncc2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164835984 720624486 /nfs/dbraw/zinc/62/44/86/720624486.db2.gz DLJNZUYBFACVSZ-RJGXRXQPSA-N 1 1 431.588 3.730 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nnc(Cl)c4ccc(F)cc43)CC[C@@H]21 ZINC001164844144 720626852 /nfs/dbraw/zinc/62/68/52/720626852.db2.gz ZBKBCMJWZSEHRC-KNBMTAEXSA-N 1 1 428.943 3.997 20 0 IHADMO Cc1nc(C)c(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)s1 ZINC001164843142 720629902 /nfs/dbraw/zinc/62/99/02/720629902.db2.gz WXDHQXIOYQZGAB-SFHLNBCPSA-N 1 1 437.617 3.791 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4nc(C5CC5)no4)ccn3)CC[C@@H]21 ZINC001164838723 720634811 /nfs/dbraw/zinc/63/48/11/720634811.db2.gz LDEUBPRQJGCVKY-ACRUOGEOSA-N 1 1 433.560 3.583 20 0 IHADMO c1csc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)c1 ZINC001164741574 720656547 /nfs/dbraw/zinc/65/65/47/720656547.db2.gz UGPVODYCMZFCRN-LSDHHAIUSA-N 1 1 436.566 3.552 20 0 IHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164840960 720670537 /nfs/dbraw/zinc/67/05/37/720670537.db2.gz OJBNKEXZSLXIKV-FQEVSTJZSA-N 1 1 446.551 3.661 20 0 IHADMO COc1cc2ncc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2cc1OC ZINC001164840468 720687525 /nfs/dbraw/zinc/68/75/25/720687525.db2.gz FDQPPSIFOVYEQP-FQEVSTJZSA-N 1 1 448.567 3.907 20 0 IHADMO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc[nH]c3nc(=S)sc1-3)CC2 ZINC001164836491 720708880 /nfs/dbraw/zinc/70/88/80/720708880.db2.gz BLQCMEYYAHOEFJ-INIZCTEOSA-N 1 1 427.599 3.635 20 0 IHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc[nH]c3nc(=S)sc1-3)CC2 ZINC001164836491 720708886 /nfs/dbraw/zinc/70/88/86/720708886.db2.gz BLQCMEYYAHOEFJ-INIZCTEOSA-N 1 1 427.599 3.635 20 0 IHADMO C[C@@H]1CCCN(c2cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ncn2)C1 ZINC001164838282 720720331 /nfs/dbraw/zinc/72/03/31/720720331.db2.gz HTTDXJXMSIRJFP-GGAORHGYSA-N 1 1 435.616 3.973 20 0 IHADMO Fc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164746354 720762653 /nfs/dbraw/zinc/76/26/53/720762653.db2.gz XPXWLURRYHHMPE-UXHICEINSA-N 1 1 442.498 3.568 20 0 IHADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742129 720785337 /nfs/dbraw/zinc/78/53/37/720785337.db2.gz CHDWSBYTCVPJJL-IAGOWNOFSA-N 1 1 431.874 3.565 20 0 IHADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752527 720806888 /nfs/dbraw/zinc/80/68/88/720806888.db2.gz ZAQWLEBYKBKNBE-JKSUJKDBSA-N 1 1 447.873 3.672 20 0 IHADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752527 720806893 /nfs/dbraw/zinc/80/68/93/720806893.db2.gz ZAQWLEBYKBKNBE-JKSUJKDBSA-N 1 1 447.873 3.672 20 0 IHADMO Cc1cccc2c(Cl)nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164740196 720826683 /nfs/dbraw/zinc/82/66/83/720826683.db2.gz JLBSTYDDGRFPGZ-QWFCFKBJSA-N 1 1 437.979 3.563 20 0 IHADMO Cc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164739192 720831413 /nfs/dbraw/zinc/83/14/13/720831413.db2.gz HPHBFLSVCYSTEU-OKZBNKHCSA-N 1 1 436.938 3.559 20 0 IHADMO c1cn(C2CCCC2)c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164741270 720832008 /nfs/dbraw/zinc/83/20/08/720832008.db2.gz DWLPURATVGOJAE-IEIRFRATSA-N 1 1 446.603 3.517 20 0 IHADMO c1ncn(C[C@@H]2C[C@H]3CN(c4cccc(OCc5ccccc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741608 720840616 /nfs/dbraw/zinc/84/06/16/720840616.db2.gz FLRKZCVGHOAPEI-KMDXXIMOSA-N 1 1 444.583 3.632 20 0 IHADMO CCCCOc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164751904 720842964 /nfs/dbraw/zinc/84/29/64/720842964.db2.gz ZMVVMRFMUDNKFC-CNNODRBYSA-N 1 1 445.011 3.885 20 0 IHADMO CC(C)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C(C)(C)C)n1 ZINC001164751915 720852175 /nfs/dbraw/zinc/85/21/75/720852175.db2.gz RONWGOLZDLUDCK-TUNNFDKTSA-N 1 1 437.636 3.868 20 0 IHADMO Clc1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C2CC2)n1 ZINC001164753029 720858897 /nfs/dbraw/zinc/85/88/97/720858897.db2.gz VGDLKCFGHZPTMF-YESZJQIVSA-N 1 1 448.402 3.632 20 0 IHADMO Clc1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C2CC2)n1 ZINC001164753026 720859333 /nfs/dbraw/zinc/85/93/33/720859333.db2.gz VGDLKCFGHZPTMF-BRWVUGGUSA-N 1 1 448.402 3.632 20 0 IHADMO Fc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747649 720861831 /nfs/dbraw/zinc/86/18/31/720861831.db2.gz IWVWKPXIOQOEQH-NLWGTHIKSA-N 1 1 440.954 3.998 20 0 IHADMO c1cc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164753503 720869208 /nfs/dbraw/zinc/86/92/08/720869208.db2.gz PRNPMTFFCSVGNK-HYBUGGRVSA-N 1 1 435.597 3.841 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(c3nnc(-c4ccc(C)cc4)c4ccccc43)CC[C@H]2C1 ZINC001164853312 720873766 /nfs/dbraw/zinc/87/37/66/720873766.db2.gz BTBPZJWIBNDMKW-URXFXBBRSA-N 1 1 432.568 3.779 20 0 IHADMO CCc1ncnc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748477 720874747 /nfs/dbraw/zinc/87/47/47/720874747.db2.gz FHLCMQRGPPRMER-HYBUGGRVSA-N 1 1 442.007 3.843 20 0 IHADMO COc1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750085 720875476 /nfs/dbraw/zinc/87/54/76/720875476.db2.gz ITHACNIZGMCQRL-HYBUGGRVSA-N 1 1 442.991 3.894 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@H]2C1 ZINC001164863680 720883226 /nfs/dbraw/zinc/88/32/26/720883226.db2.gz TZPQNJHXBRBMQL-QFBILLFUSA-N 1 1 425.907 3.607 20 0 IHADMO Fc1ccc2ncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164753280 720885521 /nfs/dbraw/zinc/88/55/21/720885521.db2.gz GIIDMXYSGIPZDX-QFQXNSOFSA-N 1 1 447.558 3.919 20 0 IHADMO Fc1ccc2ncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164753276 720885704 /nfs/dbraw/zinc/88/57/04/720885704.db2.gz GIIDMXYSGIPZDX-LVXARBLLSA-N 1 1 447.558 3.919 20 0 IHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4cccnc4n2)C3)c1 ZINC001164756930 720887026 /nfs/dbraw/zinc/88/70/26/720887026.db2.gz SGTPERRTHYFANI-ZEQKJWHPSA-N 1 1 429.568 3.780 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC[C@H]2C1 ZINC001164857544 720893079 /nfs/dbraw/zinc/89/30/79/720893079.db2.gz ITRYCFHRHOZFSJ-OXJNMPFZSA-N 1 1 443.966 3.722 20 0 IHADMO c1nc2c(ccnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164755418 720893356 /nfs/dbraw/zinc/89/33/56/720893356.db2.gz LYYMKBUUHAWTKX-YKSBVNFPSA-N 1 1 435.597 3.841 20 0 IHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nccc4cnccc42)C3)c1 ZINC001164758093 720897352 /nfs/dbraw/zinc/89/73/52/720897352.db2.gz WODBDASAOKMIDM-OZXSUGGESA-N 1 1 429.568 3.780 20 0 IHADMO CCc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755136 720919358 /nfs/dbraw/zinc/91/93/58/720919358.db2.gz YPZZREXWQWUWBW-RDPSFJRHSA-N 1 1 442.007 3.843 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)NCc1ccccc1)[C@@H]2C ZINC001164860380 720929864 /nfs/dbraw/zinc/92/98/64/720929864.db2.gz QVIZTPRTDDHJRR-LJQANCHMSA-N 1 1 432.572 3.630 20 0 IHADMO CCc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752656 720930656 /nfs/dbraw/zinc/93/06/56/720930656.db2.gz OHVSZJWXFCZVJJ-YKSBVNFPSA-N 1 1 442.007 3.843 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)[C@@H]2C ZINC001164864186 720972165 /nfs/dbraw/zinc/97/21/65/720972165.db2.gz ZBGJKHBTVBNICT-OAHLLOKOSA-N 1 1 433.000 3.881 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)[C@H]2C ZINC001164856585 721008150 /nfs/dbraw/zinc/00/81/50/721008150.db2.gz BAUNRAANTZZXAN-ORAYPTAESA-N 1 1 446.905 3.553 20 0 IHADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867358 721050289 /nfs/dbraw/zinc/05/02/89/721050289.db2.gz INROFADFUGAHOW-GJZGRUSLSA-N 1 1 429.298 3.808 20 0 IHADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870715 721054892 /nfs/dbraw/zinc/05/48/92/721054892.db2.gz WVHPFXCYXJGWIP-LSDHHAIUSA-N 1 1 429.298 3.808 20 0 IHADMO Clc1ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nc2c1 ZINC001164868119 721073691 /nfs/dbraw/zinc/07/36/91/721073691.db2.gz MJFKXYHPLYFWFV-IAGOWNOFSA-N 1 1 430.339 3.811 20 0 IHADMO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867082 721075268 /nfs/dbraw/zinc/07/52/68/721075268.db2.gz HOQRZECIDIGFAJ-ZWKOTPCHSA-N 1 1 445.901 3.703 20 0 IHADMO Clc1cnc2cc(Cl)c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cc2n1 ZINC001164865395 721078947 /nfs/dbraw/zinc/07/89/47/721078947.db2.gz KZTIOKBGESQCKJ-HOTGVXAUSA-N 1 1 430.339 3.811 20 0 IHADMO Clc1cccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866715 721079389 /nfs/dbraw/zinc/07/93/89/721079389.db2.gz UTCMFFNJPXYZCZ-CVEARBPZSA-N 1 1 430.339 3.811 20 0 IHADMO Clc1cc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1Cl ZINC001164866176 721118125 /nfs/dbraw/zinc/11/81/25/721118125.db2.gz RPYZIWWIKVYXQE-HZPDHXFCSA-N 1 1 430.339 3.811 20 0 IHADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164873651 721125387 /nfs/dbraw/zinc/12/53/87/721125387.db2.gz JUSRXNPEVMIITQ-DLBZAZTESA-N 1 1 433.890 3.636 20 0 IHADMO c1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)nc1 ZINC001164879576 721143169 /nfs/dbraw/zinc/14/31/69/721143169.db2.gz UBGCVXZTNDALDE-LEWJYISDSA-N 1 1 438.535 3.567 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001164764962 721160079 /nfs/dbraw/zinc/16/00/79/721160079.db2.gz INAPEIFDCZOEHG-JKSUJKDBSA-N 1 1 432.906 3.520 20 0 IHADMO Fc1ccc2nc(C(F)F)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164875450 721175330 /nfs/dbraw/zinc/17/53/30/721175330.db2.gz LPXPISYQCWBJSQ-IAGOWNOFSA-N 1 1 429.446 3.581 20 0 IHADMO Clc1ncc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Oc2ccccc2)n1 ZINC001164881173 721184518 /nfs/dbraw/zinc/18/45/18/721184518.db2.gz ZMXCQZUKEFKPIW-ICSRJNTNSA-N 1 1 437.931 3.797 20 0 IHADMO Cc1nc2sc3c(c2c(N2C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C2)n1)CCCCC3 ZINC001164762692 721202138 /nfs/dbraw/zinc/20/21/38/721202138.db2.gz DDKGXXMBMHLMKL-RBUKOAKNSA-N 1 1 436.629 3.960 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)nc(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1 ZINC001164765834 721214735 /nfs/dbraw/zinc/21/47/35/721214735.db2.gz IMFTZDKDWPMPNW-QZTJIDSGSA-N 1 1 426.927 3.628 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C[C@H]3C2)cn1 ZINC001164762593 721223081 /nfs/dbraw/zinc/22/30/81/721223081.db2.gz CWMSIRPUTAKKCC-RTBURBONSA-N 1 1 447.568 3.552 20 0 IHADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164764586 721239167 /nfs/dbraw/zinc/23/91/67/721239167.db2.gz OWNVMDJYUCBASE-MOPGFXCFSA-N 1 1 438.963 3.923 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@@H]32)n1 ZINC001164872670 721249208 /nfs/dbraw/zinc/24/92/08/721249208.db2.gz FAIUCZWQZAUSHE-HKBOAZHASA-N 1 1 428.964 3.931 20 0 IHADMO C[N@@H+](Cc1ccc(N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1)C1CC1 ZINC001164872033 721258655 /nfs/dbraw/zinc/25/86/55/721258655.db2.gz CPMSCUXPXPVGGL-ZEQKJWHPSA-N 1 1 434.584 3.624 20 0 IHADMO Clc1ccc(C[NH+]2CCCC2)c(N2Cc3cncn3C[C@H](COc3cccnc3)C2)n1 ZINC001164770026 721274257 /nfs/dbraw/zinc/27/42/57/721274257.db2.gz SOTYXQKKRSIPOI-GOSISDBHSA-N 1 1 438.963 3.638 20 0 IHADMO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@H+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164779364 721324373 /nfs/dbraw/zinc/32/43/73/721324373.db2.gz XKJUWMWLFBEXMC-UHFFFAOYSA-N 1 1 439.947 3.653 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4ccc(F)cc43)C2)C1 ZINC001164778184 721343317 /nfs/dbraw/zinc/34/33/17/721343317.db2.gz KCDAOLHEZJJEIQ-DEOSSOPVSA-N 1 1 439.535 3.801 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4c3CCCC4)C2)C1 ZINC001164776764 721347417 /nfs/dbraw/zinc/34/74/17/721347417.db2.gz CRSJWTBGMWQSIB-HSZRJFAPSA-N 1 1 445.995 3.733 20 0 IHADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4c3CCCC4)C2)C1 ZINC001164776764 721347419 /nfs/dbraw/zinc/34/74/19/721347419.db2.gz CRSJWTBGMWQSIB-HSZRJFAPSA-N 1 1 445.995 3.733 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1 ZINC001164888621 721352428 /nfs/dbraw/zinc/35/24/28/721352428.db2.gz XQHFHOQYMGAILI-ISJGIBHGSA-N 1 1 448.611 3.996 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ccn4C(C)C)C2)C1 ZINC001164785028 721362789 /nfs/dbraw/zinc/36/27/89/721362789.db2.gz RUQAFIHYDXKCSP-XMMPIXPASA-N 1 1 438.576 3.736 20 0 IHADMO CSc1ncc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164780320 721364667 /nfs/dbraw/zinc/36/46/67/721364667.db2.gz GBSYJAAEACQOSP-HXUWFJFHSA-N 1 1 437.997 3.576 20 0 IHADMO CSc1ncc(Cl)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780320 721364672 /nfs/dbraw/zinc/36/46/72/721364672.db2.gz GBSYJAAEACQOSP-HXUWFJFHSA-N 1 1 437.997 3.576 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C3)O2)CC1 ZINC001164892161 721384760 /nfs/dbraw/zinc/38/47/60/721384760.db2.gz RXWKOSYCRDBLCS-QFBILLFUSA-N 1 1 449.373 3.699 20 0 IHADMO c1csc(CN2C[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]3C2)n1 ZINC001164781630 721403025 /nfs/dbraw/zinc/40/30/25/721403025.db2.gz CIKBOWPUGRSMDA-VXKWHMMOSA-N 1 1 431.609 3.665 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C3)O2)CC1 ZINC001164890953 721410037 /nfs/dbraw/zinc/41/00/37/721410037.db2.gz UTEMSNVJSINWCM-BEFAXECRSA-N 1 1 449.373 3.699 20 0 IHADMO Fc1cccc(Cn2ccc3c2ncnc3N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164788900 721413637 /nfs/dbraw/zinc/41/36/37/721413637.db2.gz SNGXNRGXYIJZGD-QZTJIDSGSA-N 1 1 434.544 3.643 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(Cl)ncc(Cl)c4Cl)C3)O2)CC1 ZINC001164887233 721414373 /nfs/dbraw/zinc/41/43/73/721414373.db2.gz LPQLFQWBPRJLAK-IFXJQAMLSA-N 1 1 433.811 3.807 20 0 IHADMO Cc1ccc(F)c2cc(C)c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc12 ZINC001164891979 721421409 /nfs/dbraw/zinc/42/14/09/721421409.db2.gz XMMIKNWVBJNSLM-NLFFAJNJSA-N 1 1 426.580 3.756 20 0 IHADMO Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc2c(Cl)cccc12 ZINC001164889509 721426014 /nfs/dbraw/zinc/42/60/14/721426014.db2.gz BFCNAVCCTIGGMS-DVECYGJZSA-N 1 1 429.008 3.962 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164896828 721433450 /nfs/dbraw/zinc/43/34/50/721433450.db2.gz SDMPUUOCFHNJPQ-JPYJTQIMSA-N 1 1 436.044 3.501 20 0 IHADMO Clc1nnc(Cl)c(N2CCCCC2)c1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781454 721439734 /nfs/dbraw/zinc/43/97/34/721439734.db2.gz FWRKREKDYJIHQX-ZIAGYGMSSA-N 1 1 439.416 3.798 20 0 IHADMO CC(C)c1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc(C(C)(C)C)n1 ZINC001164894863 721441452 /nfs/dbraw/zinc/44/14/52/721441452.db2.gz MTAMQYJBSLLIQG-CJFMBICVSA-N 1 1 429.653 3.663 20 0 IHADMO Cc1cccc2cc(Cl)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164894403 721447709 /nfs/dbraw/zinc/44/77/09/721447709.db2.gz MBDKRDZMOGALGR-YKSBVNFPSA-N 1 1 429.008 3.962 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164787524 721461768 /nfs/dbraw/zinc/46/17/68/721461768.db2.gz RFBWWBZOQNRNRJ-IBGZPJMESA-N 1 1 432.996 3.902 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164787620 721462395 /nfs/dbraw/zinc/46/23/95/721462395.db2.gz RQAQVMMKQIUEEO-FQEVSTJZSA-N 1 1 442.629 3.939 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3ncc(F)cc3n1)CC2 ZINC001164786632 721464724 /nfs/dbraw/zinc/46/47/24/721464724.db2.gz ORPNXOAUONFKCW-HXUWFJFHSA-N 1 1 428.552 3.503 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164790669 721465601 /nfs/dbraw/zinc/46/56/01/721465601.db2.gz UINCCOHXTXLEQU-QHCPKHFHSA-N 1 1 436.600 3.878 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(C(C)(C)C)n1)CC2 ZINC001164789916 721468307 /nfs/dbraw/zinc/46/83/07/721468307.db2.gz PDKQYWCTYOTAAB-NRFANRHFSA-N 1 1 430.637 3.816 20 0 IHADMO CCc1nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c(Cl)nc1C ZINC001164790053 721473409 /nfs/dbraw/zinc/47/34/09/721473409.db2.gz QNTNBWWYUFQQNS-IBGZPJMESA-N 1 1 437.028 3.735 20 0 IHADMO O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164897015 721475460 /nfs/dbraw/zinc/47/54/60/721475460.db2.gz ZMFZRYNCKGGMBL-DEOSSOPVSA-N 1 1 439.991 3.887 20 0 IHADMO COC(=O)c1ccc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164793780 721491442 /nfs/dbraw/zinc/49/14/42/721491442.db2.gz VWCMQJLWSLOWPV-UHFFFAOYSA-N 1 1 431.540 3.692 20 0 IHADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cc-2n1 ZINC001164792929 721494902 /nfs/dbraw/zinc/49/49/02/721494902.db2.gz VNJIHLZDSMNCGM-UHFFFAOYSA-N 1 1 449.555 3.634 20 0 IHADMO Cc1nc2c(nc(Cl)nc2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1C ZINC001164795361 721499533 /nfs/dbraw/zinc/49/95/33/721499533.db2.gz GBZJVPBWMAVDME-UHFFFAOYSA-N 1 1 425.968 3.601 20 0 IHADMO COc1ccc2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1 ZINC001164794759 721524976 /nfs/dbraw/zinc/52/49/76/721524976.db2.gz HLBNTMSLQIROLB-QHAWAJNXSA-N 1 1 439.947 3.555 20 0 IHADMO COc1ccc2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1 ZINC001164794759 721524979 /nfs/dbraw/zinc/52/49/79/721524979.db2.gz HLBNTMSLQIROLB-QHAWAJNXSA-N 1 1 439.947 3.555 20 0 IHADMO COCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(-c2ccccc2)n1 ZINC001164802517 721530910 /nfs/dbraw/zinc/53/09/10/721530910.db2.gz GRFGLDSEEIVQAO-CUYJMHBOSA-N 1 1 445.567 3.553 20 0 IHADMO COCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(-c2ccccc2)n1 ZINC001164802517 721530914 /nfs/dbraw/zinc/53/09/14/721530914.db2.gz GRFGLDSEEIVQAO-CUYJMHBOSA-N 1 1 445.567 3.553 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164801580 721533355 /nfs/dbraw/zinc/53/33/55/721533355.db2.gz FTTSWDBFWAARAR-CKEIUWERSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164801580 721533359 /nfs/dbraw/zinc/53/33/59/721533359.db2.gz FTTSWDBFWAARAR-CKEIUWERSA-N 1 1 444.313 3.592 20 0 IHADMO COc1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164904715 721539777 /nfs/dbraw/zinc/53/97/77/721539777.db2.gz GBCFYCIQPPVDTJ-HOCLYGCPSA-N 1 1 427.854 3.770 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ncc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164799897 721540139 /nfs/dbraw/zinc/54/01/39/721540139.db2.gz BRJRCBAZQULULG-BZUAXINKSA-N 1 1 444.313 3.592 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ncc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164799897 721540142 /nfs/dbraw/zinc/54/01/42/721540142.db2.gz BRJRCBAZQULULG-BZUAXINKSA-N 1 1 444.313 3.592 20 0 IHADMO Cc1nc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(Cl)c1C ZINC001164908093 721542196 /nfs/dbraw/zinc/54/21/96/721542196.db2.gz OQEZZRMYRPYBOE-NVXWUHKLSA-N 1 1 426.870 3.773 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)s1 ZINC001164810080 721543812 /nfs/dbraw/zinc/54/38/12/721543812.db2.gz WXZPPMROZPTUHQ-FGTMMUONSA-N 1 1 429.977 3.916 20 0 IHADMO Cc1cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)s1 ZINC001164810080 721543814 /nfs/dbraw/zinc/54/38/14/721543814.db2.gz WXZPPMROZPTUHQ-FGTMMUONSA-N 1 1 429.977 3.916 20 0 IHADMO CSc1nc2ccsc2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164801427 721549516 /nfs/dbraw/zinc/54/95/16/721549516.db2.gz FJOXFJMFDYBIHJ-BZSNNMDCSA-N 1 1 427.599 3.676 20 0 IHADMO CSc1nc2ccsc2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164801427 721549517 /nfs/dbraw/zinc/54/95/17/721549517.db2.gz FJOXFJMFDYBIHJ-BZSNNMDCSA-N 1 1 427.599 3.676 20 0 IHADMO COc1cc2c(cc1Cl)ncnc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164807332 721555821 /nfs/dbraw/zinc/55/58/21/721555821.db2.gz SSBOIFLELHOAHW-ONTIZHBOSA-N 1 1 439.947 3.555 20 0 IHADMO Cc1nc(C)c(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)s1 ZINC001164903599 721561753 /nfs/dbraw/zinc/56/17/53/721561753.db2.gz CWSXVIKLUDOFCG-MJGOQNOKSA-N 1 1 425.533 3.698 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(C[C@H]4C(=O)N(C)C)CC3)c2c1C ZINC001164903892 721570124 /nfs/dbraw/zinc/57/01/24/721570124.db2.gz SHBFMFLXXZTOBP-KRWDZBQOSA-N 1 1 427.618 3.599 20 0 IHADMO CC(C)n1ccc2c1nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807391 721573755 /nfs/dbraw/zinc/57/37/55/721573755.db2.gz SWZXDFOEBYBNBJ-HSALFYBXSA-N 1 1 440.979 3.929 20 0 IHADMO CC(C)n1ccc2c1nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807391 721573757 /nfs/dbraw/zinc/57/37/57/721573757.db2.gz SWZXDFOEBYBNBJ-HSALFYBXSA-N 1 1 440.979 3.929 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccccc2)[C@@H]2CCCO[C@@H]12 ZINC001164803935 721575905 /nfs/dbraw/zinc/57/59/05/721575905.db2.gz JURCULKGLCJKMK-VDKIKQQVSA-N 1 1 430.552 3.924 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccccc2)[C@@H]2CCCO[C@@H]12 ZINC001164803935 721575907 /nfs/dbraw/zinc/57/59/07/721575907.db2.gz JURCULKGLCJKMK-VDKIKQQVSA-N 1 1 430.552 3.924 20 0 IHADMO Cc1cc(N2CCCC2)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903912 721582810 /nfs/dbraw/zinc/58/28/10/721582810.db2.gz OZOGZJGAOHEMBS-QFIPXVFZSA-N 1 1 428.531 3.518 20 0 IHADMO Cc1cc(N2CCCC2)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903912 721582813 /nfs/dbraw/zinc/58/28/13/721582813.db2.gz OZOGZJGAOHEMBS-QFIPXVFZSA-N 1 1 428.531 3.518 20 0 IHADMO COC(=O)c1cc(Cl)cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907100 721585364 /nfs/dbraw/zinc/58/53/64/721585364.db2.gz ROAGDIOELGQYTB-HXUWFJFHSA-N 1 1 436.890 3.654 20 0 IHADMO Cc1cc(OCc2ccccc2)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164804197 721587173 /nfs/dbraw/zinc/58/71/73/721587173.db2.gz IZCWVWCCEXYOCU-SONWIMMPSA-N 1 1 445.567 3.627 20 0 IHADMO Cc1cc(OCc2ccccc2)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164804197 721587177 /nfs/dbraw/zinc/58/71/77/721587177.db2.gz IZCWVWCCEXYOCU-SONWIMMPSA-N 1 1 445.567 3.627 20 0 IHADMO FC1(F)CCN(c2nc(Cl)nc3ncccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904897 721691947 /nfs/dbraw/zinc/69/19/47/721691947.db2.gz HNLLXKCTFKFRNE-HXUWFJFHSA-N 1 1 430.890 3.811 20 0 IHADMO F[C@@H](Oc1ccc(Cl)nc1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907809 721703657 /nfs/dbraw/zinc/70/36/57/721703657.db2.gz UJLLHMRJZFDVFQ-MOPGFXCFSA-N 1 1 426.870 3.995 20 0 IHADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(-c3cccnc3F)n1)C2 ZINC001164911803 721758491 /nfs/dbraw/zinc/75/84/91/721758491.db2.gz ZQQVREVAFNPTRB-UHFFFAOYSA-N 1 1 430.487 3.860 20 0 IHADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(-c3cccnc3F)n1)C2 ZINC001164911803 721758494 /nfs/dbraw/zinc/75/84/94/721758494.db2.gz ZQQVREVAFNPTRB-UHFFFAOYSA-N 1 1 430.487 3.860 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](OCC4CC4)[C@H]4COC[C@H]43)c2c1C ZINC001165015367 721763353 /nfs/dbraw/zinc/76/33/53/721763353.db2.gz OXEKDKPTWVPIMF-OTWHNJEPSA-N 1 1 428.602 3.534 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4cc5c(cc43)OCCO5)C[C@H]21 ZINC001165019536 721804665 /nfs/dbraw/zinc/80/46/65/721804665.db2.gz CRLXXKUPBFSHKN-UCNVEGJOSA-N 1 1 431.540 3.533 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(NC(=O)OC(C)(C)C)ncn3)C[C@@H]21 ZINC001165026345 721804838 /nfs/dbraw/zinc/80/48/38/721804838.db2.gz QUPWMBYMEKBIPB-YSIASYRMSA-N 1 1 438.576 3.956 20 0 IHADMO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1OCC ZINC001165027294 721811251 /nfs/dbraw/zinc/81/12/51/721811251.db2.gz UAESLACHSSLURF-BWAGFHJFSA-N 1 1 438.572 3.789 20 0 IHADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@@H]21 ZINC001165019092 721824300 /nfs/dbraw/zinc/82/43/00/721824300.db2.gz AVYRMKNCIKWDPC-CWRNSKLLSA-N 1 1 447.921 3.635 20 0 IHADMO COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165019906 721831331 /nfs/dbraw/zinc/83/13/31/721831331.db2.gz CKPGAFDPBXUMNQ-YXJHDRRASA-N 1 1 437.922 3.815 20 0 IHADMO COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165019909 721831403 /nfs/dbraw/zinc/83/14/03/721831403.db2.gz CKPGAFDPBXUMNQ-ZVZYQTTQSA-N 1 1 437.922 3.815 20 0 IHADMO COc1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(Cl)n1 ZINC001165029696 721831622 /nfs/dbraw/zinc/83/16/22/721831622.db2.gz XMRZVHKHMRNPNC-USXIJHARSA-N 1 1 437.922 3.815 20 0 IHADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@H]5[C@H]4CCC(=O)N5C)c23)C1 ZINC001164935593 721893237 /nfs/dbraw/zinc/89/32/37/721893237.db2.gz VZNRWGVRGYJCMN-BPQIPLTHSA-N 1 1 439.629 3.611 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@@H]3C2)nc1 ZINC001164931205 721897711 /nfs/dbraw/zinc/89/77/11/721897711.db2.gz DONVHXAZJWRJNX-MLDBQTBOSA-N 1 1 426.605 3.529 20 0 IHADMO COc1cc2ncc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nc2cc1OC ZINC001164940417 721925457 /nfs/dbraw/zinc/92/54/57/721925457.db2.gz PZGRPUASELKGMP-UHFFFAOYSA-N 1 1 448.567 3.827 20 0 IHADMO COC(=O)CSc1cccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939511 721929649 /nfs/dbraw/zinc/92/96/49/721929649.db2.gz LVDUKTJZFHCEDO-UHFFFAOYSA-N 1 1 441.597 3.527 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1 ZINC001164948230 721981005 /nfs/dbraw/zinc/98/10/05/721981005.db2.gz KDVPKPUIFIHFBQ-XMMPIXPASA-N 1 1 447.627 3.600 20 0 IHADMO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164958213 722028916 /nfs/dbraw/zinc/02/89/16/722028916.db2.gz ODRRCMCZMDJDBA-QWFCFKBJSA-N 1 1 432.927 3.680 20 0 IHADMO c1ccc2c(c1)[nH]c1ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c21 ZINC001164963900 722056644 /nfs/dbraw/zinc/05/66/44/722056644.db2.gz PONCPCCWIPOOAO-UHFFFAOYSA-N 1 1 428.540 3.625 20 0 IHADMO c1ccc(COc2cnnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2)cc1 ZINC001164964208 722057342 /nfs/dbraw/zinc/05/73/42/722057342.db2.gz TUBNHZPKELTQNY-UHFFFAOYSA-N 1 1 445.567 3.570 20 0 IHADMO Fc1ccc(-c2cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ncn2)cc1 ZINC001164960680 722060420 /nfs/dbraw/zinc/06/04/20/722060420.db2.gz HHCVURQSQUCRFD-UHFFFAOYSA-N 1 1 433.531 3.797 20 0 IHADMO Fc1cc2ncc(Cl)nc2cc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959967 722060591 /nfs/dbraw/zinc/06/05/91/722060591.db2.gz AVHVVNMSPTUNRQ-UHFFFAOYSA-N 1 1 441.938 3.936 20 0 IHADMO c1cc(C[N@@H+]2CCOCC3(CCN(c4cncc(OCC5CCCC5)n4)CC3)C2)ccn1 ZINC001164966704 722061831 /nfs/dbraw/zinc/06/18/31/722061831.db2.gz WZOQLHJQNZPDFI-UHFFFAOYSA-N 1 1 437.588 3.560 20 0 IHADMO c1cncc(-c2nc3sc4c(c3c(N3C[C@@H]5C[N@@H+](CC6CC6)C[C@H](C3)O5)n2)CCCC4)c1 ZINC001164967499 722075424 /nfs/dbraw/zinc/07/54/24/722075424.db2.gz SAQLEANTWORNGR-KDURUIRLSA-N 1 1 447.608 3.932 20 0 IHADMO Fc1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164978354 722113301 /nfs/dbraw/zinc/11/33/01/722113301.db2.gz OLSVFDMGUYOWPW-QAPCUYQASA-N 1 1 426.870 3.541 20 0 IHADMO Fc1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164978346 722113836 /nfs/dbraw/zinc/11/38/36/722113836.db2.gz OLSVFDMGUYOWPW-CRAIPNDOSA-N 1 1 426.870 3.541 20 0 IHADMO Clc1cccc(-c2cccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)n1 ZINC001164983239 722118952 /nfs/dbraw/zinc/11/89/52/722118952.db2.gz YRMBKHAGSYDUTJ-SIKLNZKXSA-N 1 1 435.959 3.919 20 0 IHADMO c1ccc(COc2cccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164981142 722133481 /nfs/dbraw/zinc/13/34/81/722133481.db2.gz OQPFGBGGIYWFSD-RPWUZVMVSA-N 1 1 430.552 3.783 20 0 IHADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977968 722137246 /nfs/dbraw/zinc/13/72/46/722137246.db2.gz IYFICSFXAGTSBC-ICSRJNTNSA-N 1 1 440.979 3.788 20 0 IHADMO CC(C)(C)OC(=O)Nc1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979668 722137565 /nfs/dbraw/zinc/13/75/65/722137565.db2.gz LSDGEKKSBKTKQH-FPOVZHCZSA-N 1 1 439.560 3.551 20 0 IHADMO FC(F)c1nc2ccccc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975205 722146477 /nfs/dbraw/zinc/14/64/77/722146477.db2.gz FRXRRAAMLMWXCW-YLJYHZDGSA-N 1 1 425.483 3.690 20 0 IHADMO Fc1cc2ncc(Cl)nc2cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980948 722146492 /nfs/dbraw/zinc/14/64/92/722146492.db2.gz OAUPTISWGLZOBL-IERDGZPVSA-N 1 1 427.911 3.545 20 0 IHADMO FC(F)c1nc2ccccc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975204 722146653 /nfs/dbraw/zinc/14/66/53/722146653.db2.gz FRXRRAAMLMWXCW-XLIONFOSSA-N 1 1 425.483 3.690 20 0 IHADMO CCN(c1ccccc1)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164973178 722149437 /nfs/dbraw/zinc/14/94/37/722149437.db2.gz BIZWWDOPEXKWFK-UPVQGACJSA-N 1 1 444.583 3.757 20 0 IHADMO Cc1cc(-c2ccccc2F)nnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973895 722153827 /nfs/dbraw/zinc/15/38/27/722153827.db2.gz NMGDSDWGXHNNLX-GBXCKJPGSA-N 1 1 433.531 3.713 20 0 IHADMO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972585 722156611 /nfs/dbraw/zinc/15/66/11/722156611.db2.gz INBNXMCXPFFSKZ-WMZOPIPTSA-N 1 1 440.947 3.995 20 0 IHADMO CN(C)c1nc(-c2ccccc2)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994442 722202758 /nfs/dbraw/zinc/20/27/58/722202758.db2.gz HCCWHOCENIMTEA-VWLOTQADSA-N 1 1 432.547 3.989 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001165000379 722220281 /nfs/dbraw/zinc/22/02/81/722220281.db2.gz WRHHSVPNTDQGLU-RLWLMLJZSA-N 1 1 448.567 3.991 20 0 IHADMO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@H](CO)Cc3ccccc3C)cs2)cc1 ZINC001180933410 1126152866 /nfs/dbraw/zinc/15/28/66/1126152866.db2.gz ANCAFLXBDBNGFH-IBGZPJMESA-N 1 1 425.554 3.838 20 0 IHADMO COc1ccc(N(C(C)=O)c2nc(C[NH2+][C@H](CO)Cc3ccc(C)cc3)cs2)cc1 ZINC001308690967 1126168381 /nfs/dbraw/zinc/16/83/81/1126168381.db2.gz JCLGTDQMLVLSBE-IBGZPJMESA-N 1 1 425.554 3.838 20 0 IHADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3nnc(COc4ccccn4)n3CC2)nc1 ZINC001164686492 719687330 /nfs/dbraw/zinc/68/73/30/719687330.db2.gz NTXGZWCLBYHWEI-NRFANRHFSA-N 1 1 447.587 3.647 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)CC2 ZINC001164686329 719715095 /nfs/dbraw/zinc/71/50/95/719715095.db2.gz ZRXVFGGPWFVNRI-UHFFFAOYSA-N 1 1 441.579 3.991 20 0 IHADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2 ZINC001164689883 719751171 /nfs/dbraw/zinc/75/11/71/719751171.db2.gz NPBGNOQQQYPWHA-UHFFFAOYSA-N 1 1 449.933 3.523 20 0 IHADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C(=O)N(C)C)cc2Cl)CC3)cs1 ZINC001164692122 719814160 /nfs/dbraw/zinc/81/41/60/719814160.db2.gz MBPIDRMFXGMTJD-UHFFFAOYSA-N 1 1 434.009 3.837 20 0 IHADMO Cn1cc([C@@H]2COC3(C2)CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)cn1 ZINC001164698860 719825569 /nfs/dbraw/zinc/82/55/69/719825569.db2.gz VMONMXJFMWNFBI-QHCPKHFHSA-N 1 1 443.595 3.917 20 0 IHADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ccc1-c1ccccc1 ZINC001164698449 719853198 /nfs/dbraw/zinc/85/31/98/719853198.db2.gz CJKIJXOZYDMCBW-WZONZLPQSA-N 1 1 429.948 3.635 20 0 IHADMO CCOC(=O)c1c(C)cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1C ZINC001164697725 719894493 /nfs/dbraw/zinc/89/44/93/719894493.db2.gz OMHQLXVTCXGEBW-UHFFFAOYSA-N 1 1 429.586 3.808 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc3cc(F)ccc31)CC2 ZINC001164716272 720108024 /nfs/dbraw/zinc/10/80/24/720108024.db2.gz KBMBAGJYDNBNDJ-OAQYLSRUSA-N 1 1 435.547 3.980 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ncccc3nc1Cl)CC2 ZINC001164718086 720116573 /nfs/dbraw/zinc/11/65/73/720116573.db2.gz RPUJKYYNJGZXQX-GOSISDBHSA-N 1 1 438.963 3.581 20 0 IHADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164718571 720118224 /nfs/dbraw/zinc/11/82/24/720118224.db2.gz SLQAGRJHVJVGRS-WIYYLYMNSA-N 1 1 434.943 3.765 20 0 IHADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3cccnc31)CC2 ZINC001164719606 720118615 /nfs/dbraw/zinc/11/86/15/720118615.db2.gz ZNODHUVZPSOIGC-SFHVURJKSA-N 1 1 438.963 3.581 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)C2 ZINC001164815530 720136915 /nfs/dbraw/zinc/13/69/15/720136915.db2.gz WIXSAJWNPSPPLF-KSFYIVLOSA-N 1 1 447.942 3.641 20 0 IHADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)C2 ZINC001164816828 720154875 /nfs/dbraw/zinc/15/48/75/720154875.db2.gz NANJLZXTBXIDHJ-KCWPFWIISA-N 1 1 444.579 3.910 20 0 IHADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001164817439 720164639 /nfs/dbraw/zinc/16/46/39/720164639.db2.gz PJEYXRKFRZFOOP-LVXARBLLSA-N 1 1 429.568 3.877 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)cc(Cl)nc1Cl)CCC2 ZINC001164814085 720216222 /nfs/dbraw/zinc/21/62/22/720216222.db2.gz SOOMDAXIHRFYAQ-UHFFFAOYSA-N 1 1 430.767 3.849 20 0 IHADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3c(F)cccc13)CCC2 ZINC001164818293 720245006 /nfs/dbraw/zinc/24/50/06/720245006.db2.gz YJOACVXARLLGRB-UHFFFAOYSA-N 1 1 429.927 3.835 20 0 IHADMO O=C(c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1)N1CCCCC1 ZINC001164729823 720352068 /nfs/dbraw/zinc/35/20/68/720352068.db2.gz YLHWSQOQYWDPDK-WOJBJXKFSA-N 1 1 425.964 3.609 20 0 IHADMO c1ccc(CN2CCc3nc(N4CC[C@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723155 720362254 /nfs/dbraw/zinc/36/22/54/720362254.db2.gz GIBDRPDZTSMBRB-UIOOFZCWSA-N 1 1 425.580 3.888 20 0 IHADMO c1ccc(CN2CCc3nc(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723155 720362259 /nfs/dbraw/zinc/36/22/59/720362259.db2.gz GIBDRPDZTSMBRB-UIOOFZCWSA-N 1 1 425.580 3.888 20 0 IHADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725904 720376767 /nfs/dbraw/zinc/37/67/67/720376767.db2.gz ODGHPWBHAZKJOO-OALUTQOASA-N 1 1 437.931 3.708 20 0 IHADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c2[nH]cnc21 ZINC001164733604 720428364 /nfs/dbraw/zinc/42/83/64/720428364.db2.gz PYFRQYBBNLVEEY-ROUUACIJSA-N 1 1 435.532 3.553 20 0 IHADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731961 720467773 /nfs/dbraw/zinc/46/77/73/720467773.db2.gz YGBLSOGRAZMILC-HOTGVXAUSA-N 1 1 432.862 3.578 20 0 IHADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731961 720467786 /nfs/dbraw/zinc/46/77/86/720467786.db2.gz YGBLSOGRAZMILC-HOTGVXAUSA-N 1 1 432.862 3.578 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4[nH]cc(Cl)c43)CC[C@@H]21 ZINC001164837913 720508541 /nfs/dbraw/zinc/50/85/41/720508541.db2.gz QOYNYWKUEOFBRK-DZKIICNBSA-N 1 1 434.375 3.839 20 0 IHADMO COCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccccc2)n1 ZINC001164833343 720513436 /nfs/dbraw/zinc/51/34/36/720513436.db2.gz DFMPRHNZWHJRFR-QPTUXGOLSA-N 1 1 446.599 3.864 20 0 IHADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CCCCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833637 720537344 /nfs/dbraw/zinc/53/73/44/720537344.db2.gz BARRQYHWZWCOHB-LVCYWYKZSA-N 1 1 429.012 3.973 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3F)CC[C@@H]21 ZINC001164836581 720542363 /nfs/dbraw/zinc/54/23/63/720542363.db2.gz KCFWHUYXHVHAJP-VKJFTORMSA-N 1 1 427.902 3.993 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)CC[C@@H]21 ZINC001164842541 720548787 /nfs/dbraw/zinc/54/87/87/720548787.db2.gz YCSWATPUQGIAKR-NHTMILBNSA-N 1 1 444.583 3.908 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837324 720555491 /nfs/dbraw/zinc/55/54/91/720555491.db2.gz LQIBCIQXNQZJOG-WSTZPKSXSA-N 1 1 445.995 3.794 20 0 IHADMO CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncn1 ZINC001164840149 720573148 /nfs/dbraw/zinc/57/31/48/720573148.db2.gz RWQOEUGKWYDCSI-BHIFYINESA-N 1 1 425.625 3.677 20 0 IHADMO COc1ccccc1-c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nn1 ZINC001164835255 720604487 /nfs/dbraw/zinc/60/44/87/720604487.db2.gz AUGPPODDPAXUPI-SXWKCWPCSA-N 1 1 432.572 3.727 20 0 IHADMO COc1cccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)c1 ZINC001164837763 720605314 /nfs/dbraw/zinc/60/53/14/720605314.db2.gz JHTHEPOMPZBRNR-AWRGLXIESA-N 1 1 432.572 3.727 20 0 IHADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4nc(C5CC5)no4)ccn3)CC[C@@H]21 ZINC001164838724 720634398 /nfs/dbraw/zinc/63/43/98/720634398.db2.gz LDEUBPRQJGCVKY-HKBOAZHASA-N 1 1 433.560 3.583 20 0 IHADMO COC(=O)c1cc(Cl)cnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838792 720663976 /nfs/dbraw/zinc/66/39/76/720663976.db2.gz HPYZWTGZQZIBAR-IBGZPJMESA-N 1 1 429.948 3.782 20 0 IHADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164842640 720664820 /nfs/dbraw/zinc/66/48/20/720664820.db2.gz SWJMSZANXCRWOC-HSZRJFAPSA-N 1 1 448.611 3.968 20 0 IHADMO Cc1nc2nc(Cl)nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2[nH]1 ZINC001164843334 720678052 /nfs/dbraw/zinc/67/80/52/720678052.db2.gz OCAVTDRYLUVKKD-KRWDZBQOSA-N 1 1 426.952 3.575 20 0 IHADMO Cc1nc2c(nc(Cl)nc2N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164843334 720678056 /nfs/dbraw/zinc/67/80/56/720678056.db2.gz OCAVTDRYLUVKKD-KRWDZBQOSA-N 1 1 426.952 3.575 20 0 IHADMO Cc1nc2c(nc(Cl)nc2N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164843334 720678058 /nfs/dbraw/zinc/67/80/58/720678058.db2.gz OCAVTDRYLUVKKD-KRWDZBQOSA-N 1 1 426.952 3.575 20 0 IHADMO COC(=O)c1cc(F)c(C)nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843389 720690534 /nfs/dbraw/zinc/69/05/34/720690534.db2.gz PCUUHMYPLXCJKG-LJQANCHMSA-N 1 1 427.520 3.576 20 0 IHADMO COc1cc2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c(OC)c1 ZINC001164844802 720694414 /nfs/dbraw/zinc/69/44/14/720694414.db2.gz UXIDWNKJRLREJD-FQEVSTJZSA-N 1 1 448.567 3.907 20 0 IHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(=O)NC(C)(C)C)ccn1)CC2 ZINC001164836502 720703568 /nfs/dbraw/zinc/70/35/68/720703568.db2.gz BNRBFEIIBUDOFU-QFIPXVFZSA-N 1 1 436.600 3.870 20 0 IHADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(C(N)=O)cc3ccccc31)CC2 ZINC001164837705 720716532 /nfs/dbraw/zinc/71/65/32/720716532.db2.gz GZEIGZSSVSNNKW-NRFANRHFSA-N 1 1 430.552 3.594 20 0 IHADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)Oc1cnc(Cl)cn1)CC2 ZINC001164838890 720729573 /nfs/dbraw/zinc/72/95/73/720729573.db2.gz ZDCSJCZSIPKEBY-QGZVFWFLSA-N 1 1 438.906 3.815 20 0 IHADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752515 720806883 /nfs/dbraw/zinc/80/68/83/720806883.db2.gz ZAQWLEBYKBKNBE-HOTGVXAUSA-N 1 1 447.873 3.672 20 0 IHADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752515 720806884 /nfs/dbraw/zinc/80/68/84/720806884.db2.gz ZAQWLEBYKBKNBE-HOTGVXAUSA-N 1 1 447.873 3.672 20 0 IHADMO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746666 720809256 /nfs/dbraw/zinc/80/92/56/720809256.db2.gz MHZVECWVLZCOHQ-YFVAEKQCSA-N 1 1 440.954 3.998 20 0 IHADMO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c(C)cc2c1 ZINC001164747526 720809796 /nfs/dbraw/zinc/80/97/96/720809796.db2.gz OKWOVDOBEUODRJ-ZFGGDYGUSA-N 1 1 432.572 3.523 20 0 IHADMO Clc1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)cc1 ZINC001164752605 720814962 /nfs/dbraw/zinc/81/49/62/720814962.db2.gz ZIPOMQICYKLVOQ-IEIRFRATSA-N 1 1 449.990 3.768 20 0 IHADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164745183 720850272 /nfs/dbraw/zinc/85/02/72/720850272.db2.gz MKXNTOSARIHRJT-SGIRGMQISA-N 1 1 443.599 3.731 20 0 IHADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164745185 720850523 /nfs/dbraw/zinc/85/05/23/720850523.db2.gz MKXNTOSARIHRJT-WRALFONMSA-N 1 1 443.599 3.731 20 0 IHADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@H]2C1 ZINC001164854817 720867850 /nfs/dbraw/zinc/86/78/50/720867850.db2.gz KVRNAUCXYJAFPB-KXBFYZLASA-N 1 1 425.907 3.607 20 0 IHADMO c1cc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164753505 720868925 /nfs/dbraw/zinc/86/89/25/720868925.db2.gz PRNPMTFFCSVGNK-YKSBVNFPSA-N 1 1 435.597 3.841 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC[C@@H]2C1 ZINC001164859923 720872520 /nfs/dbraw/zinc/87/25/20/720872520.db2.gz NFKQGEFHVBBVFC-BXUZGUMPSA-N 1 1 444.737 3.760 20 0 IHADMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1Cl ZINC001164750778 720879138 /nfs/dbraw/zinc/87/91/38/720879138.db2.gz JTDZRJQPYQYPOA-OFNKIYASSA-N 1 1 427.980 3.589 20 0 IHADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4Cl)nc(C)c3C)CC[C@@H]2C1 ZINC001164861756 720882854 /nfs/dbraw/zinc/88/28/54/720882854.db2.gz QBOOKKDYGQCBLN-WIYYLYMNSA-N 1 1 430.980 3.587 20 0 IHADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4ncccc4n2)C3)c1 ZINC001164752572 720886460 /nfs/dbraw/zinc/88/64/60/720886460.db2.gz FDVZJOMVPIERFF-BKMJKUGQSA-N 1 1 429.568 3.780 20 0 IHADMO CSc1cc(C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754949 720889768 /nfs/dbraw/zinc/88/97/68/720889768.db2.gz JXQPKTFTCCMPEE-URXFXBBRSA-N 1 1 439.629 3.657 20 0 IHADMO c1ccc2nnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2c1 ZINC001164756307 720891951 /nfs/dbraw/zinc/89/19/51/720891951.db2.gz PKVISMDTCYUUQR-ZEQKJWHPSA-N 1 1 429.568 3.780 20 0 IHADMO c1nc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2s1 ZINC001164755107 720899900 /nfs/dbraw/zinc/89/99/00/720899900.db2.gz KVKPZLUEBSAEGC-RDPSFJRHSA-N 1 1 435.597 3.841 20 0 IHADMO CC(C)(C)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164755179 720912636 /nfs/dbraw/zinc/91/26/36/720912636.db2.gz ZHVHHUQFWSBANJ-GJZUVCINSA-N 1 1 435.616 3.924 20 0 IHADMO CC(C)Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164748572 720916050 /nfs/dbraw/zinc/91/60/50/720916050.db2.gz HBRDMNKQGUJIJZ-ZEQKJWHPSA-N 1 1 435.616 3.825 20 0 IHADMO COc1ccnc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755120 720926978 /nfs/dbraw/zinc/92/69/78/720926978.db2.gz YKIDMPFITQWPHT-HYBUGGRVSA-N 1 1 442.991 3.894 20 0 IHADMO CCCCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164750007 720927500 /nfs/dbraw/zinc/92/75/00/720927500.db2.gz ISFVSJRFZCNMBP-BVAGGSTKSA-N 1 1 435.616 3.969 20 0 IHADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ncc4c(n2)CCCC4)C3)c1 ZINC001164748448 720927788 /nfs/dbraw/zinc/92/77/88/720927788.db2.gz GDZTYBAHXAQPMM-BVAGGSTKSA-N 1 1 433.600 3.506 20 0 IHADMO CCCCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164750010 720928139 /nfs/dbraw/zinc/92/81/39/720928139.db2.gz ISFVSJRFZCNMBP-JYFHCDHNSA-N 1 1 435.616 3.969 20 0 IHADMO C[C@@H]1CCc2nnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2C1 ZINC001164754230 720929454 /nfs/dbraw/zinc/92/94/54/720929454.db2.gz UVXOPIFHQXINEY-SGGJORCASA-N 1 1 447.627 3.752 20 0 IHADMO COC(=O)c1ccc2nc(Cl)c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nc2c1 ZINC001164860400 720930665 /nfs/dbraw/zinc/93/06/65/720930665.db2.gz QZPBNYWCZWSDOB-AWEZNQCLSA-N 1 1 442.951 3.688 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)[C@@H]2C ZINC001164862441 720974679 /nfs/dbraw/zinc/97/46/79/720974679.db2.gz SNEHUVWFNVRVIX-CYBMUJFWSA-N 1 1 435.910 3.841 20 0 IHADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CCc3ccccc31)[C@@H]2C ZINC001164864112 721001409 /nfs/dbraw/zinc/00/14/09/721001409.db2.gz XMHLQNCARHEZAB-LJQANCHMSA-N 1 1 444.583 3.902 20 0 IHADMO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880326 721131880 /nfs/dbraw/zinc/13/18/80/721131880.db2.gz VWBZLYHESDFLIN-ZWKOTPCHSA-N 1 1 426.952 3.540 20 0 IHADMO Cc1nc2sc3c(c2c(N2CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C2)n1)CCCC3 ZINC001164876975 721138222 /nfs/dbraw/zinc/13/82/22/721138222.db2.gz NHEDKTVXLCPPIL-RBUKOAKNSA-N 1 1 435.597 3.753 20 0 IHADMO Clc1cccc2nc(Cl)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc12 ZINC001164872190 721177753 /nfs/dbraw/zinc/17/77/53/721177753.db2.gz GUNFASILDKOWSM-JKSUJKDBSA-N 1 1 430.339 3.811 20 0 IHADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164767986 721240792 /nfs/dbraw/zinc/24/07/92/721240792.db2.gz XITAEJDYVSUWMV-IRXDYDNUSA-N 1 1 442.926 3.753 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(C(=O)c4ccccc4)C[C@@H]3C2)nc1 ZINC001164883768 721352587 /nfs/dbraw/zinc/35/25/87/721352587.db2.gz LSZWLPZGBPNOKS-SMIHKQSGSA-N 1 1 434.584 3.606 20 0 IHADMO Cc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2s1 ZINC001164785234 721362092 /nfs/dbraw/zinc/36/20/92/721362092.db2.gz SQYPESLVKQKSPW-JOCHJYFZSA-N 1 1 427.574 3.724 20 0 IHADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(OCC(C)C)n3)C2)C1 ZINC001164780295 721362375 /nfs/dbraw/zinc/36/23/75/721362375.db2.gz FTXJEFPHWAACFD-DEOSSOPVSA-N 1 1 428.577 3.840 20 0 IHADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)nc1 ZINC001164892170 721377317 /nfs/dbraw/zinc/37/73/17/721377317.db2.gz RZVJNCQZRYGUPU-FYYLOGMGSA-N 1 1 434.650 3.803 20 0 IHADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164886355 721385264 /nfs/dbraw/zinc/38/52/64/721385264.db2.gz FJLUIRCFPWPZSS-KXBFYZLASA-N 1 1 449.373 3.699 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1Cl ZINC001164790753 721399796 /nfs/dbraw/zinc/39/97/96/721399796.db2.gz XXIHJAASAIWMQS-TXEJJXNPSA-N 1 1 427.357 3.590 20 0 IHADMO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1Cl ZINC001164790753 721399798 /nfs/dbraw/zinc/39/97/98/721399798.db2.gz XXIHJAASAIWMQS-TXEJJXNPSA-N 1 1 427.357 3.590 20 0 IHADMO O=C(c1ccccc1)n1ccc2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164786421 721423130 /nfs/dbraw/zinc/42/31/30/721423130.db2.gz OYVFQWWRVHHBLX-BGYRXZFFSA-N 1 1 429.549 3.750 20 0 IHADMO O=C(c1ccccc1)n1ccc2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164786421 721423131 /nfs/dbraw/zinc/42/31/31/721423131.db2.gz OYVFQWWRVHHBLX-BGYRXZFFSA-N 1 1 429.549 3.750 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5cccc(Cl)c5)ncn4)C3)O2)CC1 ZINC001164891781 721438063 /nfs/dbraw/zinc/43/80/63/721438063.db2.gz HKUVMRHIHOCZCG-QPPBQGQZSA-N 1 1 442.007 3.562 20 0 IHADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc5cc(F)c(Cl)cc54)C3)O2)CC1 ZINC001164890239 721445350 /nfs/dbraw/zinc/44/53/50/721445350.db2.gz CQOYYNQJAKIGAC-WZONZLPQSA-N 1 1 432.971 3.793 20 0 IHADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164894919 721446607 /nfs/dbraw/zinc/44/66/07/721446607.db2.gz NGKLVZMZHCKOGZ-WCAVRKLYSA-N 1 1 436.044 3.717 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)cc1Cl)CC2 ZINC001164783444 721451395 /nfs/dbraw/zinc/45/13/95/721451395.db2.gz BQPJLAACNAZPJR-MRXNPFEDSA-N 1 1 429.392 3.517 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3cccc(OC)c3n1)CC2 ZINC001164790205 721454866 /nfs/dbraw/zinc/45/48/66/721454866.db2.gz XJHOCPBXOKEPPN-JOCHJYFZSA-N 1 1 439.600 3.977 20 0 IHADMO CCOc1ccc(Cl)nc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164789251 721461427 /nfs/dbraw/zinc/46/14/27/721461427.db2.gz VZWLVVAOAGAQRX-LJQANCHMSA-N 1 1 438.012 3.868 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)c3ccccc3n1)CC2 ZINC001164784811 721463692 /nfs/dbraw/zinc/46/36/92/721463692.db2.gz KJRXYCQPNQOOQM-OAQYLSRUSA-N 1 1 439.600 3.977 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164790615 721466976 /nfs/dbraw/zinc/46/69/76/721466976.db2.gz SHLRSRBTQHUVGL-DEOSSOPVSA-N 1 1 436.600 3.878 20 0 IHADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccco3)n1)CC2 ZINC001164786636 721468689 /nfs/dbraw/zinc/46/86/89/721468689.db2.gz BVMPUOKAFQBHBS-NRFANRHFSA-N 1 1 440.588 3.779 20 0 IHADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccsc3)nn1)CC2 ZINC001164789509 721470527 /nfs/dbraw/zinc/47/05/27/721470527.db2.gz NGGHBXBEUSDNLO-OAQYLSRUSA-N 1 1 442.629 3.939 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)nc1 ZINC001164793734 721488092 /nfs/dbraw/zinc/48/80/92/721488092.db2.gz UZTAKZRBJAEWQF-ZILOHOTNSA-N 1 1 426.536 3.694 20 0 IHADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164793161 721491962 /nfs/dbraw/zinc/49/19/62/721491962.db2.gz OBNSIYANOOWQOT-UHFFFAOYSA-N 1 1 431.540 3.677 20 0 IHADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164901224 721495359 /nfs/dbraw/zinc/49/53/59/721495359.db2.gz UPYPTLXHXOXBNI-KBAYOESNSA-N 1 1 444.008 3.688 20 0 IHADMO COCc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164897073 721514663 /nfs/dbraw/zinc/51/46/63/721514663.db2.gz DNHYSTOGWVGBDA-GMAHTHKFSA-N 1 1 434.515 3.771 20 0 IHADMO COCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(-c2ccccc2)n1 ZINC001164802518 721531070 /nfs/dbraw/zinc/53/10/70/721531070.db2.gz GRFGLDSEEIVQAO-GIFXNVAJSA-N 1 1 445.567 3.553 20 0 IHADMO COCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(-c2ccccc2)n1 ZINC001164802518 721531072 /nfs/dbraw/zinc/53/10/72/721531072.db2.gz GRFGLDSEEIVQAO-GIFXNVAJSA-N 1 1 445.567 3.553 20 0 IHADMO COc1cccc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903444 721532732 /nfs/dbraw/zinc/53/27/32/721532732.db2.gz COVWBVKZHWUEOF-RDJZCZTQSA-N 1 1 428.895 3.773 20 0 IHADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)[C@H]2CCCO[C@H]12 ZINC001164811209 721550357 /nfs/dbraw/zinc/55/03/57/721550357.db2.gz ZNIXZGLNVBMCSB-KSZLIROESA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)[C@H]2CCCO[C@H]12 ZINC001164811209 721550358 /nfs/dbraw/zinc/55/03/58/721550358.db2.gz ZNIXZGLNVBMCSB-KSZLIROESA-N 1 1 426.870 3.682 20 0 IHADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCCCC3)[C@H]2CCCO[C@@H]12 ZINC001164805074 721551200 /nfs/dbraw/zinc/55/12/00/721551200.db2.gz KSHQBOVFGKYIKP-PWRODBHTSA-N 1 1 427.980 3.662 20 0 IHADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)CC[N@H+]3C2)c1 ZINC001164911097 721555031 /nfs/dbraw/zinc/55/50/31/721555031.db2.gz YKBGASAESNVBAJ-HOCLYGCPSA-N 1 1 438.881 3.645 20 0 IHADMO COc1cc2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc2cc1OC ZINC001164804093 721582094 /nfs/dbraw/zinc/58/20/94/721582094.db2.gz IHJJXQCRMCOZFI-WATLYSKOSA-N 1 1 434.540 3.515 20 0 IHADMO CCOC(=O)/C=C\c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906611 721585511 /nfs/dbraw/zinc/58/55/11/721585511.db2.gz NQKDCKGLKBTEJS-UFTUAFODSA-N 1 1 442.510 3.791 20 0 IHADMO COc1ccc2cnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164903651 721696585 /nfs/dbraw/zinc/69/65/85/721696585.db2.gz BDMOBKATEQFUOQ-QFIPXVFZSA-N 1 1 425.483 3.771 20 0 IHADMO COc1ccc2c(c1)ncnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908543 721704373 /nfs/dbraw/zinc/70/43/73/721704373.db2.gz XSPHRIYYLDHBCB-JOCHJYFZSA-N 1 1 425.483 3.771 20 0 IHADMO COC(=O)/C=C/c1cc(C)cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904361 721719249 /nfs/dbraw/zinc/71/92/49/721719249.db2.gz CGNDNICNAYLQRP-YQTDCCHMSA-N 1 1 442.510 3.709 20 0 IHADMO CSc1cnc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907689 721719895 /nfs/dbraw/zinc/71/98/95/721719895.db2.gz SMRLYSYRFBMQOP-GOSISDBHSA-N 1 1 425.936 3.985 20 0 IHADMO FC(F)(c1nccnc1Cl)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904830 721720383 /nfs/dbraw/zinc/72/03/83/721720383.db2.gz DGSNBIZMZBOUCH-KRWDZBQOSA-N 1 1 429.849 3.808 20 0 IHADMO Cc1nc(-c2ccncc2)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912281 721729141 /nfs/dbraw/zinc/72/91/41/721729141.db2.gz NQVDPOHUVBOUSV-HSZRJFAPSA-N 1 1 436.510 3.980 20 0 IHADMO CSc1cnc(Cl)c(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1 ZINC001165011410 721742940 /nfs/dbraw/zinc/74/29/40/721742940.db2.gz WXKGAGYCPUSUKT-UHFFFAOYSA-N 1 1 432.968 3.525 20 0 IHADMO CCOC(=O)/C=C\c1cccnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164907881 721745678 /nfs/dbraw/zinc/74/56/78/721745678.db2.gz CLLVCRMHSLDJEA-HJWRWDBZSA-N 1 1 432.524 3.841 20 0 IHADMO CCOC(=O)/C=C\c1cccnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164907881 721745681 /nfs/dbraw/zinc/74/56/81/721745681.db2.gz CLLVCRMHSLDJEA-HJWRWDBZSA-N 1 1 432.524 3.841 20 0 IHADMO COC(=O)c1ccc(Cl)c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909534 721756372 /nfs/dbraw/zinc/75/63/72/721756372.db2.gz HFZBFVVABAWBHC-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO COC(=O)c1ccc(Cl)c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909534 721756375 /nfs/dbraw/zinc/75/63/75/721756375.db2.gz HFZBFVVABAWBHC-UHFFFAOYSA-N 1 1 426.904 3.704 20 0 IHADMO Fc1cccc2c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc(Cl)nc12 ZINC001164914504 721800429 /nfs/dbraw/zinc/80/04/29/721800429.db2.gz OJYCIWDZZJEVRD-QHCPKHFHSA-N 1 1 442.922 3.530 20 0 IHADMO Fc1cccc2c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc(Cl)nc12 ZINC001164914504 721800431 /nfs/dbraw/zinc/80/04/31/721800431.db2.gz OJYCIWDZZJEVRD-QHCPKHFHSA-N 1 1 442.922 3.530 20 0 IHADMO COC(=O)c1ccc2cnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2c1 ZINC001165028048 721804005 /nfs/dbraw/zinc/80/40/05/721804005.db2.gz XZNZOBVHNHNFNB-RRPUWOKSSA-N 1 1 431.540 3.548 20 0 IHADMO COC(=O)c1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2c1 ZINC001165027250 721804383 /nfs/dbraw/zinc/80/43/83/721804383.db2.gz UXVCZMFEXATELX-QTGUNEKASA-N 1 1 431.540 3.548 20 0 IHADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@]5(C[C@H](Oc6cccnc6)CO5)C4)ccc3C2)cc1 ZINC001164915035 721805594 /nfs/dbraw/zinc/80/55/94/721805594.db2.gz HGCNZMGQMXYWAA-IGKIAQTJSA-N 1 1 442.563 3.852 20 0 IHADMO CCOC(=O)c1cc2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2[nH]1 ZINC001165019886 721809326 /nfs/dbraw/zinc/80/93/26/721809326.db2.gz CBGIPHLMENGPNV-CZTZKLFOSA-N 1 1 433.556 3.872 20 0 IHADMO COC(=O)c1cc2ccncc2nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021640 721814799 /nfs/dbraw/zinc/81/47/99/721814799.db2.gz FNBVTIULMRFFJM-HARLFGEKSA-N 1 1 431.540 3.548 20 0 IHADMO COc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025979 721816806 /nfs/dbraw/zinc/81/68/06/721816806.db2.gz ORAZWHWDEXMTDF-NNWRFLSQSA-N 1 1 430.556 3.679 20 0 IHADMO CN(C)C(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)c1 ZINC001165029585 721824967 /nfs/dbraw/zinc/82/49/67/721824967.db2.gz XGCWTLPEQYIQLK-LDQXTDLNSA-N 1 1 427.980 3.569 20 0 IHADMO CN(C)C(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)c1 ZINC001165029598 721825041 /nfs/dbraw/zinc/82/50/41/721825041.db2.gz XGCWTLPEQYIQLK-SCWSEQNSSA-N 1 1 427.980 3.569 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccnc(Cl)n2)CC1 ZINC001165016245 721837812 /nfs/dbraw/zinc/83/78/12/721837812.db2.gz AKIMQUPBIHHFLQ-UHFFFAOYSA-N 1 1 426.895 3.793 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cnc(Cl)c(N)c2)CC1 ZINC001165023037 721843038 /nfs/dbraw/zinc/84/30/38/721843038.db2.gz WKXXGKBBQGWILZ-UHFFFAOYSA-N 1 1 440.922 3.980 20 0 IHADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc[n+]([O-])c(Cl)c2)CC1 ZINC001165031213 721845060 /nfs/dbraw/zinc/84/50/60/721845060.db2.gz YGKCLMUYXBPHTG-UHFFFAOYSA-N 1 1 441.906 3.636 20 0 IHADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)n2)cc1 ZINC001164930469 721856141 /nfs/dbraw/zinc/85/61/41/721856141.db2.gz SDSLVOBMAWNPLJ-DHIUTWEWSA-N 1 1 435.547 3.659 20 0 IHADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164930469 721856144 /nfs/dbraw/zinc/85/61/44/721856144.db2.gz SDSLVOBMAWNPLJ-DHIUTWEWSA-N 1 1 435.547 3.659 20 0 IHADMO CN(CCCc1ccccc1)c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165039453 721880762 /nfs/dbraw/zinc/88/07/62/721880762.db2.gz ZUTLDCXWOVKMMR-NRFANRHFSA-N 1 1 438.616 3.949 20 0 IHADMO CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCNC(=O)[C@@H]3C)n2)CC1 ZINC001165036763 721883578 /nfs/dbraw/zinc/88/35/78/721883578.db2.gz MRJIPZQNPPSLII-HNNXBMFYSA-N 1 1 441.626 3.976 20 0 IHADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164934577 721884423 /nfs/dbraw/zinc/88/44/23/721884423.db2.gz SEFHKMZBIHHTOG-PMACEKPBSA-N 1 1 437.613 3.719 20 0 IHADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164934577 721884425 /nfs/dbraw/zinc/88/44/25/721884425.db2.gz SEFHKMZBIHHTOG-PMACEKPBSA-N 1 1 437.613 3.719 20 0 IHADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC3CCC3)C2)nc1 ZINC001164931202 721897763 /nfs/dbraw/zinc/89/77/63/721897763.db2.gz DONVHXAZJWRJNX-ADHNFCLRSA-N 1 1 426.605 3.529 20 0 IHADMO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164937639 721921072 /nfs/dbraw/zinc/92/10/72/721921072.db2.gz FQTLQUIEVCPBBR-ZHACJKMWSA-N 1 1 435.568 3.838 20 0 IHADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc3cc(F)ccc31)CC2 ZINC001164944716 721968706 /nfs/dbraw/zinc/96/87/06/721968706.db2.gz JALODBHBMVMGFD-UHFFFAOYSA-N 1 1 438.934 3.998 20 0 IHADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc3cc(F)ccc31)CC2 ZINC001164944716 721968707 /nfs/dbraw/zinc/96/87/07/721968707.db2.gz JALODBHBMVMGFD-UHFFFAOYSA-N 1 1 438.934 3.998 20 0 IHADMO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049775 721977098 /nfs/dbraw/zinc/97/70/98/721977098.db2.gz QZCZKSQIBIZBQZ-FQEVSTJZSA-N 1 1 432.565 3.866 20 0 IHADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCc4onc(Cn5cccn5)c4C3)c2c1C ZINC001164959618 722050723 /nfs/dbraw/zinc/05/07/23/722050723.db2.gz MXVHKFGMZGMGML-UHFFFAOYSA-N 1 1 449.584 3.699 20 0 IHADMO CCc1c(Cl)nnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1CC ZINC001164964857 722056345 /nfs/dbraw/zinc/05/63/45/722056345.db2.gz YROBVRNYTTWJOK-UHFFFAOYSA-N 1 1 429.996 3.769 20 0 IHADMO Cc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164960724 722059344 /nfs/dbraw/zinc/05/93/44/722059344.db2.gz JJFTVDNSBQXHED-UHFFFAOYSA-N 1 1 429.568 3.966 20 0 IHADMO c1ccc(Oc2nccnc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC001164961527 722061449 /nfs/dbraw/zinc/06/14/49/722061449.db2.gz LINCCQDKLNMKNE-UHFFFAOYSA-N 1 1 431.540 3.783 20 0 IHADMO Fc1c(Cl)nccc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980720 722102145 /nfs/dbraw/zinc/10/21/45/722102145.db2.gz JYXBNKNZRYQTQY-RDJZCZTQSA-N 1 1 426.870 3.541 20 0 IHADMO c1[nH]c2ccccc2c1-c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981117 722114256 /nfs/dbraw/zinc/11/42/56/722114256.db2.gz SSNGWSQYNOMYHF-CPJSRVTESA-N 1 1 440.551 3.747 20 0 IHADMO Clc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(-c2ccccc2)nn1 ZINC001164974943 722118995 /nfs/dbraw/zinc/11/89/95/722118995.db2.gz JDCXVOVTFKSODJ-RBBKRZOGSA-N 1 1 435.959 3.919 20 0 IHADMO Clc1ccccc1-c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973455 722130160 /nfs/dbraw/zinc/13/01/60/722130160.db2.gz CJBOHHNPADFRCT-AUSIDOKSSA-N 1 1 435.959 3.919 20 0 IHADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974388 722135063 /nfs/dbraw/zinc/13/50/63/722135063.db2.gz DMCZWNMMXHZSSR-ZWKOTPCHSA-N 1 1 447.917 3.884 20 0 IHADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977013 722139436 /nfs/dbraw/zinc/13/94/36/722139436.db2.gz HNLZJEPFTVWVPC-RBUKOAKNSA-N 1 1 429.996 3.858 20 0 IHADMO Fc1cc2ncc(Cl)nc2cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980950 722146349 /nfs/dbraw/zinc/14/63/49/722146349.db2.gz OAUPTISWGLZOBL-IIBYNOLFSA-N 1 1 427.911 3.545 20 0 IHADMO FC(F)c1nc2ccccc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975202 722146371 /nfs/dbraw/zinc/14/63/71/722146371.db2.gz FRXRRAAMLMWXCW-FXAWDEMLSA-N 1 1 425.483 3.690 20 0 IHADMO Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972736 722154499 /nfs/dbraw/zinc/15/44/99/722154499.db2.gz JEDDDJXGLRNSTA-VQTJNVASSA-N 1 1 427.980 3.828 20 0 IHADMO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccc([C@@H]3CCCC[N@H+]3CC)cn1)CC2 ZINC001164992025 722187748 /nfs/dbraw/zinc/18/77/48/722187748.db2.gz RJAYRBZAFDBUCA-VXKWHMMOSA-N 1 1 428.621 3.730 20 0 IHADMO COc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(N2CCCCCC2)n1 ZINC001164997250 722208020 /nfs/dbraw/zinc/20/80/20/722208020.db2.gz XONROWTZRGDNJY-XMMPIXPASA-N 1 1 440.567 3.645 20 0 IHADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)cc2C1 ZINC001164994756 722213773 /nfs/dbraw/zinc/21/37/73/722213773.db2.gz DAFPOLADWHNSTL-UQBPGWFLSA-N 1 1 438.547 3.529 20 0 IHADMO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cn2cc(Br)ccc2n1)C(F)(F)F ZINC001175686196 1126148936 /nfs/dbraw/zinc/14/89/36/1126148936.db2.gz BUQZLAKMQMBUHD-NVXWUHKLSA-N 1 1 428.252 3.721 20 0 IHADMO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC001183145668 1126153051 /nfs/dbraw/zinc/15/30/51/1126153051.db2.gz LDDRYTJJWYKGCK-HSZRJFAPSA-N 1 1 428.964 3.684 20 0 IHADMO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC001183145670 1126153162 /nfs/dbraw/zinc/15/31/62/1126153162.db2.gz LDDRYTJJWYKGCK-QHCPKHFHSA-N 1 1 428.964 3.684 20 0 IHADMO