smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C1([C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]2CF)CC1 ZINC001164620227 719121652 /nfs/dbraw/zinc/12/16/52/719121652.db2.gz HZWILAPUHMRFGT-NVXWUHKLSA-N 2 1 429.609 3.679 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)c2c1CC[NH2+]C2 ZINC001164681575 719618963 /nfs/dbraw/zinc/61/89/63/719618963.db2.gz IJBKOLWBKWOQQM-UHFFFAOYSA-N 2 1 438.885 3.702 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)c2c1CC[NH2+]C2 ZINC001164681575 719618968 /nfs/dbraw/zinc/61/89/68/719618968.db2.gz IJBKOLWBKWOQQM-UHFFFAOYSA-N 2 1 438.885 3.702 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2nc3ccccc3nc2N2CCCC[C@H]2C)c2c1CC[NH2+]C2 ZINC001164680137 719638863 /nfs/dbraw/zinc/63/88/63/719638863.db2.gz PLKHUQHKXKCDTC-GOSISDBHSA-N 2 1 433.604 3.680 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3ccccc3nc2N2CCCC[C@H]2C)c2c1CC[NH2+]C2 ZINC001164680137 719638866 /nfs/dbraw/zinc/63/88/66/719638866.db2.gz PLKHUQHKXKCDTC-GOSISDBHSA-N 2 1 433.604 3.680 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164823500 720350681 /nfs/dbraw/zinc/35/06/81/720350681.db2.gz GKCWVRIPJKYJHX-WXFUMESZSA-N 2 1 439.648 3.540 20 0 IHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725317 720486343 /nfs/dbraw/zinc/48/63/43/720486343.db2.gz JNULOXPJGNNCDJ-SFTDATJTSA-N 2 1 445.945 3.905 20 0 IHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725317 720486353 /nfs/dbraw/zinc/48/63/53/720486353.db2.gz JNULOXPJGNNCDJ-SFTDATJTSA-N 2 1 445.945 3.905 20 0 IHADMP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1OC ZINC001164834582 720551724 /nfs/dbraw/zinc/55/17/24/720551724.db2.gz FAQQIQZSGZKADN-TUNNFDKTSA-N 2 1 435.572 3.826 20 0 IHADMP CCOC(=O)c1c[nH]c2cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH+]cc21 ZINC001164838837 720708845 /nfs/dbraw/zinc/70/88/45/720708845.db2.gz JHRMSXODFHEDTN-FQEVSTJZSA-N 2 1 448.567 4.000 20 0 IHADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3cc(OC)ccc3c[nH+]1)CC2 ZINC001164786894 721463437 /nfs/dbraw/zinc/46/34/37/721463437.db2.gz QHLZRALWGTVNLZ-HSZRJFAPSA-N 2 1 439.600 3.977 20 0 IHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3cc(OC)ccc3c[nH+]1)CC2 ZINC001164786894 721463439 /nfs/dbraw/zinc/46/34/39/721463439.db2.gz QHLZRALWGTVNLZ-HSZRJFAPSA-N 2 1 439.600 3.977 20 0 IHADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3C(C)C)CC2 ZINC001164790206 721464655 /nfs/dbraw/zinc/46/46/55/721464655.db2.gz ZTABAIRZHDEOLZ-OAQYLSRUSA-N 2 1 441.620 3.746 20 0 IHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3C(C)C)CC2 ZINC001164790206 721464656 /nfs/dbraw/zinc/46/46/56/721464656.db2.gz ZTABAIRZHDEOLZ-OAQYLSRUSA-N 2 1 441.620 3.746 20 0 IHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164908985 721759133 /nfs/dbraw/zinc/75/91/33/721759133.db2.gz BEWZUTKRRJBTHS-UHFFFAOYSA-N 2 1 447.583 3.739 20 0 IHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164908985 721759135 /nfs/dbraw/zinc/75/91/35/721759135.db2.gz BEWZUTKRRJBTHS-UHFFFAOYSA-N 2 1 447.583 3.739 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)C[C@H]21 ZINC001165018855 721831350 /nfs/dbraw/zinc/83/13/50/721831350.db2.gz AHPSUOSTYALRNY-NQHRYMMQSA-N 2 1 435.616 3.592 20 0 IHADMP Cc1nc2c(n1-c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)CC[NH2+]CC2 ZINC001164430737 718949366 /nfs/dbraw/zinc/94/93/66/718949366.db2.gz XISRFZLZDSTKNS-OAHLLOKOSA-N 2 1 436.629 3.594 20 0 IHADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc([C@H]3CCCC[N@H+]3CC)cn1)C2 ZINC001164616755 719011268 /nfs/dbraw/zinc/01/12/68/719011268.db2.gz LLNDWYDLDZSGCC-UFPGJGBJSA-N 2 1 440.632 3.778 20 0 IHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H](CF)[C@H](C5([NH3+])CC5)C3)n2)CCC4)CC1 ZINC001164625864 719122414 /nfs/dbraw/zinc/12/24/14/719122414.db2.gz ZFCQNUZYRIPPAE-SJLPKXTDSA-N 2 1 443.636 3.925 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164808125 721588128 /nfs/dbraw/zinc/58/81/28/721588128.db2.gz PZEHUYLEXHNNFH-APFRJGHOSA-N 2 1 435.616 3.892 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164808125 721588130 /nfs/dbraw/zinc/58/81/30/721588130.db2.gz PZEHUYLEXHNNFH-APFRJGHOSA-N 2 1 435.616 3.892 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164808125 721588132 /nfs/dbraw/zinc/58/81/32/721588132.db2.gz PZEHUYLEXHNNFH-APFRJGHOSA-N 2 1 435.616 3.892 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164808132 721588244 /nfs/dbraw/zinc/58/82/44/721588244.db2.gz PZEHUYLEXHNNFH-DDRRAVBJSA-N 2 1 435.616 3.892 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164808132 721588246 /nfs/dbraw/zinc/58/82/46/721588246.db2.gz PZEHUYLEXHNNFH-DDRRAVBJSA-N 2 1 435.616 3.892 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164808132 721588249 /nfs/dbraw/zinc/58/82/49/721588249.db2.gz PZEHUYLEXHNNFH-DDRRAVBJSA-N 2 1 435.616 3.892 20 0 IHADMP FC1(F)CCN(c2ncccc2C[NH+]2CCCC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912944 721735821 /nfs/dbraw/zinc/73/58/21/721735821.db2.gz RMTJEHVGJCNXPV-HSZRJFAPSA-N 2 1 427.543 3.810 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164977322 722153394 /nfs/dbraw/zinc/15/33/94/722153394.db2.gz YQFBBLCGPNMULV-UBFVSLLYSA-N 2 1 435.616 3.751 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164977322 722153395 /nfs/dbraw/zinc/15/33/95/722153395.db2.gz YQFBBLCGPNMULV-UBFVSLLYSA-N 2 1 435.616 3.751 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164977322 722153396 /nfs/dbraw/zinc/15/33/96/722153396.db2.gz YQFBBLCGPNMULV-UBFVSLLYSA-N 2 1 435.616 3.751 20 0 IHADMP [NH3+]C1([C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CF)CC1 ZINC001164620576 719122321 /nfs/dbraw/zinc/12/23/21/719122321.db2.gz ILELBPKFVXOJBE-DOTOQJQBSA-N 2 1 429.609 3.679 20 0 IHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164713592 720141150 /nfs/dbraw/zinc/14/11/50/720141150.db2.gz SIMRFHTZQRULLY-XMMPIXPASA-N 2 1 435.616 3.580 20 0 IHADMP FC1(F)CCN(c2ncccc2C[NH+]2CCCC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912945 721736282 /nfs/dbraw/zinc/73/62/82/721736282.db2.gz RMTJEHVGJCNXPV-QHCPKHFHSA-N 2 1 427.543 3.810 20 0 IHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)nc1 ZINC001165014630 721766760 /nfs/dbraw/zinc/76/67/60/721766760.db2.gz HRORMAMAIVRVLI-JOCHJYFZSA-N 2 1 446.603 3.837 20 0 IHADMP Clc1ccc(C[NH+]2CCCC2)c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)n1 ZINC001164958888 722051194 /nfs/dbraw/zinc/05/11/94/722051194.db2.gz HLRKVPPKXBGTSB-KPLVRAHFSA-N 2 1 427.980 3.631 20 0 IHADMP Cc1nc2c(n1-c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CC[NH2+]CC2 ZINC001164431039 718949304 /nfs/dbraw/zinc/94/93/04/718949304.db2.gz ZOZABIBEHNIKSI-UHFFFAOYSA-N 2 1 436.629 3.738 20 0 IHADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001164625393 719045975 /nfs/dbraw/zinc/04/59/75/719045975.db2.gz PLQQZWZTTRTIBU-SHQCIBLASA-N 2 1 425.580 3.618 20 0 IHADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001164625393 719045983 /nfs/dbraw/zinc/04/59/83/719045983.db2.gz PLQQZWZTTRTIBU-SHQCIBLASA-N 2 1 425.580 3.618 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001164680552 719640429 /nfs/dbraw/zinc/64/04/29/719640429.db2.gz VTIYMHBSYNPXEH-UHFFFAOYSA-N 2 1 430.915 3.733 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001164680552 719640437 /nfs/dbraw/zinc/64/04/37/719640437.db2.gz VTIYMHBSYNPXEH-UHFFFAOYSA-N 2 1 430.915 3.733 20 0 IHADMP CC(C)[N@H+](C)Cc1nn([C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)c2c1CC[NH2+]C2 ZINC001164680227 719644858 /nfs/dbraw/zinc/64/48/58/719644858.db2.gz SOSFXEBQMRUJQX-JOCHJYFZSA-N 2 1 444.942 3.984 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn([C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)c2c1CC[NH2+]C2 ZINC001164680227 719644867 /nfs/dbraw/zinc/64/48/67/719644867.db2.gz SOSFXEBQMRUJQX-JOCHJYFZSA-N 2 1 444.942 3.984 20 0 IHADMP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)[nH+]cc21 ZINC001164696891 719897072 /nfs/dbraw/zinc/89/70/72/719897072.db2.gz IFNHJRSBOXIPCN-UHFFFAOYSA-N 2 1 440.569 3.673 20 0 IHADMP CC(C)(C)N(c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164735802 720544770 /nfs/dbraw/zinc/54/47/70/720544770.db2.gz RMHQABYXGJUWKK-OAQYLSRUSA-N 2 1 435.616 3.551 20 0 IHADMP CC(C)(C)N(c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164735802 720544772 /nfs/dbraw/zinc/54/47/72/720544772.db2.gz RMHQABYXGJUWKK-OAQYLSRUSA-N 2 1 435.616 3.551 20 0 IHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871579 721156075 /nfs/dbraw/zinc/15/60/75/721156075.db2.gz FUCOBLVSMMPFGW-PKTZIBPZSA-N 2 1 429.568 3.710 20 0 IHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871579 721156087 /nfs/dbraw/zinc/15/60/87/721156087.db2.gz FUCOBLVSMMPFGW-PKTZIBPZSA-N 2 1 429.568 3.710 20 0 IHADMP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]cc21 ZINC001165027320 721822352 /nfs/dbraw/zinc/82/23/52/721822352.db2.gz RWVMDHGLKIFJSY-JWNTYJGQSA-N 2 1 433.556 3.872 20 0 IHADMP [NH3+]C1([C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]2CF)CC1 ZINC001164620229 719121574 /nfs/dbraw/zinc/12/15/74/719121574.db2.gz HZWILAPUHMRFGT-RDJZCZTQSA-N 2 1 429.609 3.679 20 0 IHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)n1 ZINC001164619499 719124328 /nfs/dbraw/zinc/12/43/28/719124328.db2.gz DSMKBYQUDAXDHW-AEFFLSMTSA-N 2 1 425.577 3.933 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc([Si](C)(C)C)c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681291 719631828 /nfs/dbraw/zinc/63/18/28/719631828.db2.gz GAFSRLIZGJOQFI-UHFFFAOYSA-N 2 1 442.030 3.560 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc([Si](C)(C)C)c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681291 719631832 /nfs/dbraw/zinc/63/18/32/719631832.db2.gz GAFSRLIZGJOQFI-UHFFFAOYSA-N 2 1 442.030 3.560 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2cc(F)ccc2Oc2ccc(Cl)nn2)c2c1CC[NH2+]C2 ZINC001164679469 719637618 /nfs/dbraw/zinc/63/76/18/719637618.db2.gz BNPSLHJJEUAHJA-UHFFFAOYSA-N 2 1 430.915 3.733 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(F)ccc2Oc2ccc(Cl)nn2)c2c1CC[NH2+]C2 ZINC001164679469 719637626 /nfs/dbraw/zinc/63/76/26/719637626.db2.gz BNPSLHJJEUAHJA-UHFFFAOYSA-N 2 1 430.915 3.733 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2cc(-c3nc(-c4cccs4)no3)ccn2)c2c1CC[NH2+]C2 ZINC001164679429 719644409 /nfs/dbraw/zinc/64/44/09/719644409.db2.gz AHPXKRCIOJFHKJ-UHFFFAOYSA-N 2 1 435.557 3.532 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(-c3nc(-c4cccs4)no3)ccn2)c2c1CC[NH2+]C2 ZINC001164679429 719644414 /nfs/dbraw/zinc/64/44/14/719644414.db2.gz AHPXKRCIOJFHKJ-UHFFFAOYSA-N 2 1 435.557 3.532 20 0 IHADMP COc1cccc(Oc2nc(Cl)ncc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164683996 719651847 /nfs/dbraw/zinc/65/18/47/719651847.db2.gz VXGYUSPWJYJDBO-UHFFFAOYSA-N 2 1 442.951 3.603 20 0 IHADMP COc1cccc(Oc2nc(Cl)ncc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164683996 719651853 /nfs/dbraw/zinc/65/18/53/719651853.db2.gz VXGYUSPWJYJDBO-UHFFFAOYSA-N 2 1 442.951 3.603 20 0 IHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725316 720486879 /nfs/dbraw/zinc/48/68/79/720486879.db2.gz JNULOXPJGNNCDJ-RTWAWAEBSA-N 2 1 445.945 3.905 20 0 IHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725316 720486880 /nfs/dbraw/zinc/48/68/80/720486880.db2.gz JNULOXPJGNNCDJ-RTWAWAEBSA-N 2 1 445.945 3.905 20 0 IHADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc2cc1OC ZINC001164835326 720615033 /nfs/dbraw/zinc/61/50/33/720615033.db2.gz BDZQMVQOVYTMFS-BHDDXSALSA-N 2 1 435.572 3.826 20 0 IHADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2cc1OC ZINC001164835326 720615042 /nfs/dbraw/zinc/61/50/42/720615042.db2.gz BDZQMVQOVYTMFS-BHDDXSALSA-N 2 1 435.572 3.826 20 0 IHADMP COc1ccccc1Oc1nc(Cl)ncc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682777 719651530 /nfs/dbraw/zinc/65/15/30/719651530.db2.gz SVZYLPMKCJFHBA-UHFFFAOYSA-N 2 1 442.951 3.603 20 0 IHADMP COc1ccccc1Oc1nc(Cl)ncc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682777 719651534 /nfs/dbraw/zinc/65/15/34/719651534.db2.gz SVZYLPMKCJFHBA-UHFFFAOYSA-N 2 1 442.951 3.603 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164823496 720351168 /nfs/dbraw/zinc/35/11/68/720351168.db2.gz GKCWVRIPJKYJHX-SMIHKQSGSA-N 2 1 439.648 3.540 20 0 IHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871578 721157130 /nfs/dbraw/zinc/15/71/30/721157130.db2.gz FUCOBLVSMMPFGW-GOTSBHOMSA-N 2 1 429.568 3.710 20 0 IHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871578 721157136 /nfs/dbraw/zinc/15/71/36/721157136.db2.gz FUCOBLVSMMPFGW-GOTSBHOMSA-N 2 1 429.568 3.710 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C[C@@H]21 ZINC001165019544 721807132 /nfs/dbraw/zinc/80/71/32/721807132.db2.gz CZGQGZRXBXMTJP-KAGYGMCKSA-N 2 1 441.023 3.729 20 0 IHADMP Clc1ccc(C[NH+]2CCCC2)c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)n1 ZINC001164958885 722051293 /nfs/dbraw/zinc/05/12/93/722051293.db2.gz HLRKVPPKXBGTSB-JUXOCIIHSA-N 2 1 427.980 3.631 20 0 IHADMP COc1cc2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2cc1OC ZINC001164963853 722056939 /nfs/dbraw/zinc/05/69/39/722056939.db2.gz ODYBZIOWDZEEER-UHFFFAOYSA-N 2 1 448.567 3.766 20 0 IHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H](CF)[C@H](C5([NH3+])CC5)C4)c32)C1 ZINC001164620594 719122792 /nfs/dbraw/zinc/12/27/92/719122792.db2.gz IROOXPTZIGDSLQ-SOLBZPMBSA-N 2 1 443.636 3.925 20 0 IHADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4c([nH+]3)CCC4)CC2)c2ccccc21 ZINC001164681421 719664651 /nfs/dbraw/zinc/66/46/51/719664651.db2.gz OHVPMLJVLDUNIC-OAQYLSRUSA-N 2 1 432.612 3.664 20 0 IHADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CC3)cs1 ZINC001164699142 719816106 /nfs/dbraw/zinc/81/61/06/719816106.db2.gz GLQKMFPCKWRHMN-UHFFFAOYSA-N 3 1 441.645 3.955 20 0 IHADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(OC4CC[NH+](C)CC4)ccn2)CC3)cs1 ZINC001164699142 719816108 /nfs/dbraw/zinc/81/61/08/719816108.db2.gz GLQKMFPCKWRHMN-UHFFFAOYSA-N 2 1 441.645 3.955 20 0 IHADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(OC4CC[NH+](C)CC4)ccn2)CC3)cs1 ZINC001164699142 719816109 /nfs/dbraw/zinc/81/61/09/719816109.db2.gz GLQKMFPCKWRHMN-UHFFFAOYSA-N 2 1 441.645 3.955 20 0 IHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725314 720486632 /nfs/dbraw/zinc/48/66/32/720486632.db2.gz JNULOXPJGNNCDJ-LEWJYISDSA-N 2 1 445.945 3.905 20 0 IHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725314 720486636 /nfs/dbraw/zinc/48/66/36/720486636.db2.gz JNULOXPJGNNCDJ-LEWJYISDSA-N 2 1 445.945 3.905 20 0 IHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725315 720487491 /nfs/dbraw/zinc/48/74/91/720487491.db2.gz JNULOXPJGNNCDJ-NHCUHLMSSA-N 2 1 445.945 3.905 20 0 IHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725315 720487505 /nfs/dbraw/zinc/48/75/05/720487505.db2.gz JNULOXPJGNNCDJ-NHCUHLMSSA-N 2 1 445.945 3.905 20 0 IHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)nc1 ZINC001164793660 721484741 /nfs/dbraw/zinc/48/47/41/721484741.db2.gz XMGBIIQXEJZEKN-GPJHCHHRSA-N 2 1 436.604 3.571 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164808129 721588388 /nfs/dbraw/zinc/58/83/88/721588388.db2.gz PZEHUYLEXHNNFH-BIATYSSJSA-N 2 1 435.616 3.892 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164808129 721588389 /nfs/dbraw/zinc/58/83/89/721588389.db2.gz PZEHUYLEXHNNFH-BIATYSSJSA-N 2 1 435.616 3.892 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164808129 721588391 /nfs/dbraw/zinc/58/83/91/721588391.db2.gz PZEHUYLEXHNNFH-BIATYSSJSA-N 2 1 435.616 3.892 20 0 IHADMP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)[nH+]cc21 ZINC001164938623 721930710 /nfs/dbraw/zinc/93/07/10/721930710.db2.gz BEZKMJFXESKTMI-UHFFFAOYSA-N 2 1 448.567 3.919 20 0 IHADMP Clc1ccc(C[NH+]2CCCC2)c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)n1 ZINC001164958890 722051420 /nfs/dbraw/zinc/05/14/20/722051420.db2.gz HLRKVPPKXBGTSB-LRXVAGHRSA-N 2 1 427.980 3.631 20 0 IHADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164389460 718824589 /nfs/dbraw/zinc/82/45/89/718824589.db2.gz IOJWXDRHDPGVKC-SFTDATJTSA-N 2 1 449.624 3.911 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164681193 719618892 /nfs/dbraw/zinc/61/88/92/719618892.db2.gz CKWPBUASGCOREJ-UHFFFAOYSA-N 2 1 439.567 3.877 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164681193 719618901 /nfs/dbraw/zinc/61/89/01/719618901.db2.gz CKWPBUASGCOREJ-UHFFFAOYSA-N 2 1 439.567 3.877 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001164679968 719652316 /nfs/dbraw/zinc/65/23/16/719652316.db2.gz BOAXNXSDRCVEEQ-UHFFFAOYSA-N 2 1 430.915 3.733 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001164679968 719652318 /nfs/dbraw/zinc/65/23/18/719652318.db2.gz BOAXNXSDRCVEEQ-UHFFFAOYSA-N 2 1 430.915 3.733 20 0 IHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C[NH+](C)C3CC3)cn1)CC2 ZINC001164710378 720147378 /nfs/dbraw/zinc/14/73/78/720147378.db2.gz ADVSAZSHXKXIMW-DEOSSOPVSA-N 2 1 435.616 3.578 20 0 IHADMP COC[C@@H]1CC2(C[NH+]1Cc1ccccn1)CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164710378 720147385 /nfs/dbraw/zinc/14/73/85/720147385.db2.gz ADVSAZSHXKXIMW-DEOSSOPVSA-N 2 1 435.616 3.578 20 0 IHADMP COC[C@@H]1CC2(C[NH+]1Cc1ccccn1)CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164710378 720147397 /nfs/dbraw/zinc/14/73/97/720147397.db2.gz ADVSAZSHXKXIMW-DEOSSOPVSA-N 2 1 435.616 3.578 20 0 IHADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164765761 721151652 /nfs/dbraw/zinc/15/16/52/721151652.db2.gz KJLVMCZMJHWUGJ-XZOQPEGZSA-N 2 1 426.568 3.776 20 0 IHADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[N@@H+]3C2)c1 ZINC001164911944 721540010 /nfs/dbraw/zinc/54/00/10/721540010.db2.gz XPLRLEUPOJAHAH-PZJWPPBQSA-N 2 1 430.955 3.812 20 0 IHADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[N@H+]3C2)c1 ZINC001164911944 721540014 /nfs/dbraw/zinc/54/00/14/721540014.db2.gz XPLRLEUPOJAHAH-PZJWPPBQSA-N 2 1 430.955 3.812 20 0 IHADMP Cc1nc2c(n1-c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)CC[NH2+]CC2 ZINC001164430736 718948907 /nfs/dbraw/zinc/94/89/07/718948907.db2.gz XISRFZLZDSTKNS-HNNXBMFYSA-N 2 1 436.629 3.594 20 0 IHADMP [NH3+]C1([C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]2CF)CC1 ZINC001164620224 719121482 /nfs/dbraw/zinc/12/14/82/719121482.db2.gz HZWILAPUHMRFGT-DOTOQJQBSA-N 2 1 429.609 3.679 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(OCc3ccccc3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164680519 719633808 /nfs/dbraw/zinc/63/38/08/719633808.db2.gz TXVJDCLFJDFNDS-UHFFFAOYSA-N 2 1 425.964 3.986 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(OCc3ccccc3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164680519 719633816 /nfs/dbraw/zinc/63/38/16/719633816.db2.gz TXVJDCLFJDFNDS-UHFFFAOYSA-N 2 1 425.964 3.986 20 0 IHADMP CCOC(=O)c1c(Cl)c2ccccc2nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680551 719638877 /nfs/dbraw/zinc/63/88/77/719638877.db2.gz VSPWHSZHZMNGTK-UHFFFAOYSA-N 2 1 441.963 3.737 20 0 IHADMP CCOC(=O)c1c(Cl)c2ccccc2nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680551 719638880 /nfs/dbraw/zinc/63/88/80/719638880.db2.gz VSPWHSZHZMNGTK-UHFFFAOYSA-N 2 1 441.963 3.737 20 0 IHADMP Cc1ccccc1Oc1nc(Cl)ncc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685362 719649618 /nfs/dbraw/zinc/64/96/18/719649618.db2.gz ZNCKVQBEWQVHIZ-UHFFFAOYSA-N 2 1 426.952 3.902 20 0 IHADMP Cc1ccccc1Oc1nc(Cl)ncc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685362 719649624 /nfs/dbraw/zinc/64/96/24/719649624.db2.gz ZNCKVQBEWQVHIZ-UHFFFAOYSA-N 2 1 426.952 3.902 20 0 IHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)C2 ZINC001164807335 720126622 /nfs/dbraw/zinc/12/66/22/720126622.db2.gz BXRUXGFHBLCELC-NVQXNPDNSA-N 2 1 431.584 3.664 20 0 IHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)C2 ZINC001164807335 720126628 /nfs/dbraw/zinc/12/66/28/720126628.db2.gz BXRUXGFHBLCELC-NVQXNPDNSA-N 2 1 431.584 3.664 20 0 IHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1 ZINC001165004001 722257714 /nfs/dbraw/zinc/25/77/14/722257714.db2.gz KTCNWDMWYGYGLO-HSZRJFAPSA-N 2 1 440.636 3.704 20 0 IHADMP CC(C)N(c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)c1ncnc2c1CC[NH2+]CC2 ZINC001164662114 719344898 /nfs/dbraw/zinc/34/48/98/719344898.db2.gz NHXYKYSMBKICBV-UHFFFAOYSA-N 2 1 428.584 3.665 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)c2c1CC[NH2+]C2 ZINC001164683695 719632566 /nfs/dbraw/zinc/63/25/66/719632566.db2.gz VAOBYPVGUIQNSR-UHFFFAOYSA-N 2 1 436.894 3.551 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)c2c1CC[NH2+]C2 ZINC001164683695 719632574 /nfs/dbraw/zinc/63/25/74/719632574.db2.gz VAOBYPVGUIQNSR-UHFFFAOYSA-N 2 1 436.894 3.551 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c2c1CC[NH2+]C2 ZINC001164680541 719633528 /nfs/dbraw/zinc/63/35/28/719633528.db2.gz VERBLLFWRJTIQH-UHFFFAOYSA-N 2 1 447.583 3.856 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c2c1CC[NH2+]C2 ZINC001164680541 719633541 /nfs/dbraw/zinc/63/35/41/719633541.db2.gz VERBLLFWRJTIQH-UHFFFAOYSA-N 2 1 447.583 3.856 20 0 IHADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4c([nH+]3)CCC4)CC2)c2ccccc21 ZINC001164681420 719664862 /nfs/dbraw/zinc/66/48/62/719664862.db2.gz OHVPMLJVLDUNIC-NRFANRHFSA-N 2 1 432.612 3.664 20 0 IHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816433 720124275 /nfs/dbraw/zinc/12/42/75/720124275.db2.gz YSYHSMCSAXKBPB-QFQXNSOFSA-N 2 1 449.574 3.803 20 0 IHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816433 720124285 /nfs/dbraw/zinc/12/42/85/720124285.db2.gz YSYHSMCSAXKBPB-QFQXNSOFSA-N 2 1 449.574 3.803 20 0 IHADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164867734 721100806 /nfs/dbraw/zinc/10/08/06/721100806.db2.gz ZTXVLIKNCMZRQA-ZEQRLZLVSA-N 2 1 439.563 3.959 20 0 IHADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164867727 721101010 /nfs/dbraw/zinc/10/10/10/721101010.db2.gz ZTXVLIKNCMZRQA-BJKOFHAPSA-N 2 1 439.563 3.959 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)nn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001164963360 722025469 /nfs/dbraw/zinc/02/54/69/722025469.db2.gz SMAAJZYINMTOLR-SGIRGMQISA-N 2 1 436.604 3.776 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C[C@@H]21 ZINC001165019546 721807452 /nfs/dbraw/zinc/80/74/52/721807452.db2.gz CZGQGZRXBXMTJP-RCZSKKKRSA-N 2 1 441.023 3.729 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)nn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001164963362 722025690 /nfs/dbraw/zinc/02/56/90/722025690.db2.gz SMAAJZYINMTOLR-TZBSWOFLSA-N 2 1 436.604 3.776 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971374 722122300 /nfs/dbraw/zinc/12/23/00/722122300.db2.gz BQBRTTLUMMOFOF-NFBKMPQASA-N 2 1 432.572 3.669 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971374 722122306 /nfs/dbraw/zinc/12/23/06/722122306.db2.gz BQBRTTLUMMOFOF-NFBKMPQASA-N 2 1 432.572 3.669 20 0 IHADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)C2)cc1 ZINC001164625389 719045838 /nfs/dbraw/zinc/04/58/38/719045838.db2.gz PLQQZWZTTRTIBU-IGKIAQTJSA-N 2 1 425.580 3.618 20 0 IHADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)C2)cc1 ZINC001164625389 719045840 /nfs/dbraw/zinc/04/58/40/719045840.db2.gz PLQQZWZTTRTIBU-IGKIAQTJSA-N 2 1 425.580 3.618 20 0 IHADMP [NH3+]C1([C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2CF)CC1 ZINC001164620580 719122675 /nfs/dbraw/zinc/12/26/75/719122675.db2.gz ILELBPKFVXOJBE-WBVHZDCISA-N 2 1 429.609 3.679 20 0 IHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H](CF)[C@H](C5([NH3+])CC5)C3)n2)CCC4)CC1 ZINC001164625861 719122692 /nfs/dbraw/zinc/12/26/92/719122692.db2.gz ZFCQNUZYRIPPAE-FUHWJXTLSA-N 2 1 443.636 3.925 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2nc3ccccc3nc2N2CCCC[C@@H]2C)c2c1CC[NH2+]C2 ZINC001164680138 719638230 /nfs/dbraw/zinc/63/82/30/719638230.db2.gz PLKHUQHKXKCDTC-SFHVURJKSA-N 2 1 433.604 3.680 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3ccccc3nc2N2CCCC[C@@H]2C)c2c1CC[NH2+]C2 ZINC001164680138 719638232 /nfs/dbraw/zinc/63/82/32/719638232.db2.gz PLKHUQHKXKCDTC-SFHVURJKSA-N 2 1 433.604 3.680 20 0 IHADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1[nH+]c(N3CCCC3)cc3ccccc31)CCC2 ZINC001164814623 720238422 /nfs/dbraw/zinc/23/84/22/720238422.db2.gz ZOCLABOTUHCIFK-UHFFFAOYSA-N 2 1 446.599 3.642 20 0 IHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1[nH+]c(N3CCCC3)cc3ccccc31)CCC2 ZINC001164814623 720238427 /nfs/dbraw/zinc/23/84/27/720238427.db2.gz ZOCLABOTUHCIFK-UHFFFAOYSA-N 2 1 446.599 3.642 20 0 IHADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164765748 721150884 /nfs/dbraw/zinc/15/08/84/721150884.db2.gz KJLVMCZMJHWUGJ-DHIUTWEWSA-N 2 1 426.568 3.776 20 0 IHADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)c3ccccc3[nH+]1)CC2 ZINC001164784805 721463721 /nfs/dbraw/zinc/46/37/21/721463721.db2.gz KJRXYCQPNQOOQM-NRFANRHFSA-N 2 1 439.600 3.977 20 0 IHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)c3ccccc3[nH+]1)CC2 ZINC001164784805 721463722 /nfs/dbraw/zinc/46/37/22/721463722.db2.gz KJRXYCQPNQOOQM-NRFANRHFSA-N 2 1 439.600 3.977 20 0 IHADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3C(C)C)CC2 ZINC001164790155 721464459 /nfs/dbraw/zinc/46/44/59/721464459.db2.gz ZTABAIRZHDEOLZ-NRFANRHFSA-N 2 1 441.620 3.746 20 0 IHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3C(C)C)CC2 ZINC001164790155 721464461 /nfs/dbraw/zinc/46/44/61/721464461.db2.gz ZTABAIRZHDEOLZ-NRFANRHFSA-N 2 1 441.620 3.746 20 0 IHADMP Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(N2CCCC2)[nH+]1 ZINC001164906994 721586307 /nfs/dbraw/zinc/58/63/07/721586307.db2.gz QEXKTNKWEKMGQG-QFIPXVFZSA-N 2 1 428.531 3.518 20 0 IHADMP Cc1nc(N2CCCC2)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164906994 721586313 /nfs/dbraw/zinc/58/63/13/721586313.db2.gz QEXKTNKWEKMGQG-QFIPXVFZSA-N 2 1 428.531 3.518 20 0 IHADMP Cc1nc(N2CCCC2)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164906994 721586315 /nfs/dbraw/zinc/58/63/15/721586315.db2.gz QEXKTNKWEKMGQG-QFIPXVFZSA-N 2 1 428.531 3.518 20 0 IHADMP FC1(F)CCN(c2cc(Cl)nc3c2CC[NH2+]C3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907344 721720192 /nfs/dbraw/zinc/72/01/92/721720192.db2.gz RAACEIOUROQZMS-NRFANRHFSA-N 2 1 433.934 3.513 20 0 IHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1 ZINC001165004004 722257651 /nfs/dbraw/zinc/25/76/51/722257651.db2.gz KTCNWDMWYGYGLO-QHCPKHFHSA-N 2 1 440.636 3.704 20 0 IHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H](CF)[C@H](C5([NH3+])CC5)C4)c32)C1 ZINC001164620591 719122526 /nfs/dbraw/zinc/12/25/26/719122526.db2.gz IROOXPTZIGDSLQ-JFIYKMOQSA-N 2 1 443.636 3.925 20 0 IHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)n1 ZINC001164619502 719124888 /nfs/dbraw/zinc/12/48/88/719124888.db2.gz DSMKBYQUDAXDHW-FUHWJXTLSA-N 2 1 425.577 3.933 20 0 IHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)nc1 ZINC001164636656 719267170 /nfs/dbraw/zinc/26/71/70/719267170.db2.gz JNESECWXGMSOBH-OAQYLSRUSA-N 2 1 433.560 3.781 20 0 IHADMP Cc1ccc(Oc2nc(Cl)ncc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164680207 719649468 /nfs/dbraw/zinc/64/94/68/719649468.db2.gz DGGALSHDGQXVCW-UHFFFAOYSA-N 2 1 426.952 3.902 20 0 IHADMP Cc1ccc(Oc2nc(Cl)ncc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164680207 719649470 /nfs/dbraw/zinc/64/94/70/719649470.db2.gz DGGALSHDGQXVCW-UHFFFAOYSA-N 2 1 426.952 3.902 20 0 IHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)C2 ZINC001164805902 720096914 /nfs/dbraw/zinc/09/69/14/720096914.db2.gz ANFZVNOFJAFPLE-LEAFIULHSA-N 2 1 446.639 3.825 20 0 IHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164805902 720096923 /nfs/dbraw/zinc/09/69/23/720096923.db2.gz ANFZVNOFJAFPLE-LEAFIULHSA-N 2 1 446.639 3.825 20 0 IHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164805902 720096931 /nfs/dbraw/zinc/09/69/31/720096931.db2.gz ANFZVNOFJAFPLE-LEAFIULHSA-N 2 1 446.639 3.825 20 0 IHADMP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1OC ZINC001164834580 720553252 /nfs/dbraw/zinc/55/32/52/720553252.db2.gz FAQQIQZSGZKADN-KCZVDYSFSA-N 2 1 435.572 3.826 20 0 IHADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164754058 720897920 /nfs/dbraw/zinc/89/79/20/720897920.db2.gz INQTXOSDTQQQLP-SHQCIBLASA-N 2 1 447.627 3.832 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)nc1 ZINC001164760865 721041254 /nfs/dbraw/zinc/04/12/54/721041254.db2.gz FAXILOJNWFLSTI-JOCHJYFZSA-N 2 1 431.588 3.704 20 0 IHADMP FC1(F)CCN(c2ccc(C[NH+]3CCCC3)cn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908191 721722790 /nfs/dbraw/zinc/72/27/90/721722790.db2.gz WIIUWULGKNTNAI-HSZRJFAPSA-N 2 1 427.543 3.810 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971376 722122578 /nfs/dbraw/zinc/12/25/78/722122578.db2.gz BQBRTTLUMMOFOF-OFNKIYASSA-N 2 1 432.572 3.669 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971376 722122579 /nfs/dbraw/zinc/12/25/79/722122579.db2.gz BQBRTTLUMMOFOF-OFNKIYASSA-N 2 1 432.572 3.669 20 0 IHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)nc1 ZINC001164636654 719266954 /nfs/dbraw/zinc/26/69/54/719266954.db2.gz JNESECWXGMSOBH-NRFANRHFSA-N 2 1 433.560 3.781 20 0 IHADMP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1OC ZINC001164834579 720552680 /nfs/dbraw/zinc/55/26/80/720552680.db2.gz FAQQIQZSGZKADN-JAXLGGSGSA-N 2 1 435.572 3.826 20 0 IHADMP FC1(F)CCN(c2ccc(C[NH+]3CCCC3)cn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908195 721722748 /nfs/dbraw/zinc/72/27/48/721722748.db2.gz WIIUWULGKNTNAI-QHCPKHFHSA-N 2 1 427.543 3.810 20 0 IHADMP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]cc21 ZINC001165027315 721822275 /nfs/dbraw/zinc/82/22/75/721822275.db2.gz RWVMDHGLKIFJSY-HYVJGQCMSA-N 2 1 433.556 3.872 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]21 ZINC001165027731 721829569 /nfs/dbraw/zinc/82/95/69/721829569.db2.gz TXAMNWGBZMPNNY-BUUDZMLXSA-N 3 1 435.616 3.687 20 0 IHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]21 ZINC001165027731 721829570 /nfs/dbraw/zinc/82/95/70/721829570.db2.gz TXAMNWGBZMPNNY-BUUDZMLXSA-N 2 1 435.616 3.687 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]21 ZINC001165027731 721829571 /nfs/dbraw/zinc/82/95/71/721829571.db2.gz TXAMNWGBZMPNNY-BUUDZMLXSA-N 2 1 435.616 3.687 20 0 IHADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164389457 718824474 /nfs/dbraw/zinc/82/44/74/718824474.db2.gz IOJWXDRHDPGVKC-NHCUHLMSSA-N 2 1 449.624 3.911 20 0 IHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)C2 ZINC001164805904 720096243 /nfs/dbraw/zinc/09/62/43/720096243.db2.gz ANFZVNOFJAFPLE-NAKRPHOHSA-N 2 1 446.639 3.825 20 0 IHADMP COC[C@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164805904 720096252 /nfs/dbraw/zinc/09/62/52/720096252.db2.gz ANFZVNOFJAFPLE-NAKRPHOHSA-N 2 1 446.639 3.825 20 0 IHADMP COC[C@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164805904 720096261 /nfs/dbraw/zinc/09/62/61/720096261.db2.gz ANFZVNOFJAFPLE-NAKRPHOHSA-N 2 1 446.639 3.825 20 0 IHADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3C(C)C)CC2 ZINC001164714131 720135888 /nfs/dbraw/zinc/13/58/88/720135888.db2.gz WIHZKEMZFVGGTN-OAQYLSRUSA-N 2 1 434.588 3.915 20 0 IHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3C(C)C)CC2 ZINC001164714131 720135910 /nfs/dbraw/zinc/13/59/10/720135910.db2.gz WIHZKEMZFVGGTN-OAQYLSRUSA-N 2 1 434.588 3.915 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164741278 720832242 /nfs/dbraw/zinc/83/22/42/720832242.db2.gz DWLPURATVGOJAE-UNWVZKJWSA-N 2 1 446.603 3.517 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164741278 720832244 /nfs/dbraw/zinc/83/22/44/720832244.db2.gz DWLPURATVGOJAE-UNWVZKJWSA-N 2 1 446.603 3.517 20 0 IHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164754055 720897995 /nfs/dbraw/zinc/89/79/95/720897995.db2.gz INQTXOSDTQQQLP-RPLLCQBOSA-N 2 1 447.627 3.832 20 0 IHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@H]32)c2ncccn2)nc1 ZINC001164793659 721484501 /nfs/dbraw/zinc/48/45/01/721484501.db2.gz XMGBIIQXEJZEKN-AFXVXQJMSA-N 2 1 436.604 3.571 20 0 IHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2OC[C@H]3CC[NH2+]C[C@@H]23)c2ncccn2)nc1 ZINC001164793661 721484521 /nfs/dbraw/zinc/48/45/21/721484521.db2.gz XMGBIIQXEJZEKN-ODAXIHTASA-N 2 1 436.604 3.571 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971375 722122734 /nfs/dbraw/zinc/12/27/34/722122734.db2.gz BQBRTTLUMMOFOF-NZQKXSOJSA-N 2 1 432.572 3.669 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971375 722122738 /nfs/dbraw/zinc/12/27/38/722122738.db2.gz BQBRTTLUMMOFOF-NZQKXSOJSA-N 2 1 432.572 3.669 20 0 IHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164711319 720154741 /nfs/dbraw/zinc/15/47/41/720154741.db2.gz AZAMIABUCDWYKL-DEOSSOPVSA-N 2 1 435.616 3.580 20 0 IHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@@H]21 ZINC001164842942 720557054 /nfs/dbraw/zinc/55/70/54/720557054.db2.gz ZBQGBADJDQKXPI-FSSWDIPSSA-N 2 1 443.039 3.905 20 0 IHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@@H]21 ZINC001164842942 720557062 /nfs/dbraw/zinc/55/70/62/720557062.db2.gz ZBQGBADJDQKXPI-FSSWDIPSSA-N 2 1 443.039 3.905 20 0 IHADMP FC1(F)CCN(c2cc(Cl)nc3c2CC[NH2+]C3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907345 721720584 /nfs/dbraw/zinc/72/05/84/721720584.db2.gz RAACEIOUROQZMS-OAQYLSRUSA-N 2 1 433.934 3.513 20 0 IHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164910608 721765827 /nfs/dbraw/zinc/76/58/27/721765827.db2.gz JFXCANRHNBOFIW-UHFFFAOYSA-N 2 1 447.583 3.643 20 0 IHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164910608 721765828 /nfs/dbraw/zinc/76/58/28/721765828.db2.gz JFXCANRHNBOFIW-UHFFFAOYSA-N 2 1 447.583 3.643 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]21 ZINC001165027739 721829810 /nfs/dbraw/zinc/82/98/10/721829810.db2.gz TXAMNWGBZMPNNY-OPXMRZJTSA-N 3 1 435.616 3.687 20 0 IHADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]21 ZINC001165027739 721829813 /nfs/dbraw/zinc/82/98/13/721829813.db2.gz TXAMNWGBZMPNNY-OPXMRZJTSA-N 2 1 435.616 3.687 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]21 ZINC001165027739 721829815 /nfs/dbraw/zinc/82/98/15/721829815.db2.gz TXAMNWGBZMPNNY-OPXMRZJTSA-N 2 1 435.616 3.687 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)c2c1CC[NH2+]C2 ZINC001164685735 719612280 /nfs/dbraw/zinc/61/22/80/719612280.db2.gz VQSCNUTXKBEHIO-UHFFFAOYSA-N 2 1 438.885 3.702 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)c2c1CC[NH2+]C2 ZINC001164685735 719612289 /nfs/dbraw/zinc/61/22/89/719612289.db2.gz VQSCNUTXKBEHIO-UHFFFAOYSA-N 2 1 438.885 3.702 20 0 IHADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164867731 721100271 /nfs/dbraw/zinc/10/02/71/721100271.db2.gz ZTXVLIKNCMZRQA-RPWUZVMVSA-N 2 1 439.563 3.959 20 0 IHADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001164765757 721151713 /nfs/dbraw/zinc/15/17/13/721151713.db2.gz KJLVMCZMJHWUGJ-PKTZIBPZSA-N 2 1 426.568 3.776 20 0 IHADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3cc(OC)ccc31)CC2 ZINC001164785954 721454822 /nfs/dbraw/zinc/45/48/22/721454822.db2.gz KEWWRFWRVWSFQF-JOCHJYFZSA-N 2 1 439.600 3.977 20 0 IHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3cc(OC)ccc31)CC2 ZINC001164785954 721454823 /nfs/dbraw/zinc/45/48/23/721454823.db2.gz KEWWRFWRVWSFQF-JOCHJYFZSA-N 2 1 439.600 3.977 20 0 IHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2OC[C@H]3CC[NH2+]C[C@H]23)c2ncccn2)nc1 ZINC001164793658 721484738 /nfs/dbraw/zinc/48/47/38/721484738.db2.gz XMGBIIQXEJZEKN-ACESQOTJSA-N 2 1 436.604 3.571 20 0 IHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164795813 721503058 /nfs/dbraw/zinc/50/30/58/721503058.db2.gz NOJYEKFXTLVJOU-UHFFFAOYSA-N 3 1 435.616 3.831 20 0 IHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164795813 721503062 /nfs/dbraw/zinc/50/30/62/721503062.db2.gz NOJYEKFXTLVJOU-UHFFFAOYSA-N 2 1 435.616 3.831 20 0 IHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164795813 721503065 /nfs/dbraw/zinc/50/30/65/721503065.db2.gz NOJYEKFXTLVJOU-UHFFFAOYSA-N 2 1 435.616 3.831 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]21 ZINC001165027735 721829627 /nfs/dbraw/zinc/82/96/27/721829627.db2.gz TXAMNWGBZMPNNY-KSNOWIBYSA-N 3 1 435.616 3.687 20 0 IHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]21 ZINC001165027735 721829628 /nfs/dbraw/zinc/82/96/28/721829628.db2.gz TXAMNWGBZMPNNY-KSNOWIBYSA-N 2 1 435.616 3.687 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]21 ZINC001165027735 721829631 /nfs/dbraw/zinc/82/96/31/721829631.db2.gz TXAMNWGBZMPNNY-KSNOWIBYSA-N 2 1 435.616 3.687 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)nn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001164963358 722025439 /nfs/dbraw/zinc/02/54/39/722025439.db2.gz SMAAJZYINMTOLR-RQTOMXEWSA-N 2 1 436.604 3.776 20 0 IHADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[NH2+]CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164389459 718824397 /nfs/dbraw/zinc/82/43/97/718824397.db2.gz IOJWXDRHDPGVKC-RTWAWAEBSA-N 2 1 449.624 3.911 20 0 IHADMP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]cnc4c3ccn4C3CCCC3)CC2)CC1 ZINC001164617930 719027867 /nfs/dbraw/zinc/02/78/67/719027867.db2.gz SEHRJZLXWLUIPV-UHFFFAOYSA-N 2 1 425.577 3.790 20 0 IHADMP CC(C)[N@H+](C)Cc1nn([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)c2c1CC[NH2+]C2 ZINC001164680228 719645185 /nfs/dbraw/zinc/64/51/85/719645185.db2.gz SOSFXEBQMRUJQX-QFIPXVFZSA-N 2 1 444.942 3.984 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)c2c1CC[NH2+]C2 ZINC001164680228 719645191 /nfs/dbraw/zinc/64/51/91/719645191.db2.gz SOSFXEBQMRUJQX-QFIPXVFZSA-N 2 1 444.942 3.984 20 0 IHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164713591 720141513 /nfs/dbraw/zinc/14/15/13/720141513.db2.gz SIMRFHTZQRULLY-DEOSSOPVSA-N 2 1 435.616 3.580 20 0 IHADMP Cc1ccc2c(C)cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)[nH+]c2c1C ZINC001164717194 720198827 /nfs/dbraw/zinc/19/88/27/720198827.db2.gz USJNVSIWXFOWPL-JOCHJYFZSA-N 2 1 434.588 3.505 20 0 IHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)nc1 ZINC001164760866 721041408 /nfs/dbraw/zinc/04/14/08/721041408.db2.gz FAXILOJNWFLSTI-QFIPXVFZSA-N 2 1 431.588 3.704 20 0 IHADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001164765752 721150385 /nfs/dbraw/zinc/15/03/85/721150385.db2.gz KJLVMCZMJHWUGJ-GOTSBHOMSA-N 2 1 426.568 3.776 20 0 IHADMP CCOC(=O)c1c[nH]c2cc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)[nH+]cc21 ZINC001164910731 721760024 /nfs/dbraw/zinc/76/00/24/721760024.db2.gz QUIGTEONVAVVNC-UHFFFAOYSA-N 2 1 445.523 3.922 20 0 IHADMP CCOC(=O)c1c[nH]c2cc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)[nH+]cc21 ZINC001164910731 721760026 /nfs/dbraw/zinc/76/00/26/721760026.db2.gz QUIGTEONVAVVNC-UHFFFAOYSA-N 2 1 445.523 3.922 20 0 IHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984207 722145818 /nfs/dbraw/zinc/14/58/18/722145818.db2.gz WKLCBVNRXMSNJH-ILBGXUMGSA-N 2 1 443.595 3.957 20 0 IHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984209 722146057 /nfs/dbraw/zinc/14/60/57/722146057.db2.gz WKLCBVNRXMSNJH-UKILVPOCSA-N 2 1 443.595 3.957 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164977318 722153376 /nfs/dbraw/zinc/15/33/76/722153376.db2.gz YQFBBLCGPNMULV-ISJGIBHGSA-N 2 1 435.616 3.751 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164977318 722153377 /nfs/dbraw/zinc/15/33/77/722153377.db2.gz YQFBBLCGPNMULV-ISJGIBHGSA-N 2 1 435.616 3.751 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164977318 722153378 /nfs/dbraw/zinc/15/33/78/722153378.db2.gz YQFBBLCGPNMULV-ISJGIBHGSA-N 2 1 435.616 3.751 20 0 IHADMP FC(F)(F)[C@@H]1N(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164387986 718814368 /nfs/dbraw/zinc/81/43/68/718814368.db2.gz LHLDFSKFSXEMCS-OAQYLSRUSA-N 2 1 431.506 3.546 20 0 IHADMP FC(F)(F)[C@@H]1N(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164387986 718814369 /nfs/dbraw/zinc/81/43/69/718814369.db2.gz LHLDFSKFSXEMCS-OAQYLSRUSA-N 2 1 431.506 3.546 20 0 IHADMP [NH3+]C1([C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]2CF)CC1 ZINC001164620233 719121717 /nfs/dbraw/zinc/12/17/17/719121717.db2.gz HZWILAPUHMRFGT-WBVHZDCISA-N 2 1 429.609 3.679 20 0 IHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)n1 ZINC001164619505 719124856 /nfs/dbraw/zinc/12/48/56/719124856.db2.gz DSMKBYQUDAXDHW-SJLPKXTDSA-N 2 1 425.577 3.933 20 0 IHADMP Cc1cccc(Oc2nc(Cl)ncc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164680958 719648878 /nfs/dbraw/zinc/64/88/78/719648878.db2.gz JWKQZDSZOHUEKM-UHFFFAOYSA-N 2 1 426.952 3.902 20 0 IHADMP Cc1cccc(Oc2nc(Cl)ncc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164680958 719648884 /nfs/dbraw/zinc/64/88/84/719648884.db2.gz JWKQZDSZOHUEKM-UHFFFAOYSA-N 2 1 426.952 3.902 20 0 IHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164732580 720524485 /nfs/dbraw/zinc/52/44/85/720524485.db2.gz FLXYAYKXHXFIAR-SFHVURJKSA-N 2 1 441.649 3.544 20 0 IHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871577 721156563 /nfs/dbraw/zinc/15/65/63/721156563.db2.gz FUCOBLVSMMPFGW-DHIUTWEWSA-N 2 1 429.568 3.710 20 0 IHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871577 721156565 /nfs/dbraw/zinc/15/65/65/721156565.db2.gz FUCOBLVSMMPFGW-DHIUTWEWSA-N 2 1 429.568 3.710 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]21 ZINC001165027729 721829733 /nfs/dbraw/zinc/82/97/33/721829733.db2.gz TXAMNWGBZMPNNY-AMDXRBSFSA-N 3 1 435.616 3.687 20 0 IHADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]21 ZINC001165027729 721829734 /nfs/dbraw/zinc/82/97/34/721829734.db2.gz TXAMNWGBZMPNNY-AMDXRBSFSA-N 2 1 435.616 3.687 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]21 ZINC001165027729 721829738 /nfs/dbraw/zinc/82/97/38/721829738.db2.gz TXAMNWGBZMPNNY-AMDXRBSFSA-N 2 1 435.616 3.687 20 0 IHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984208 722145678 /nfs/dbraw/zinc/14/56/78/722145678.db2.gz WKLCBVNRXMSNJH-NOZRDPDXSA-N 2 1 443.595 3.957 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164977320 722153363 /nfs/dbraw/zinc/15/33/63/722153363.db2.gz YQFBBLCGPNMULV-SDHSZQHLSA-N 2 1 435.616 3.751 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164977320 722153364 /nfs/dbraw/zinc/15/33/64/722153364.db2.gz YQFBBLCGPNMULV-SDHSZQHLSA-N 2 1 435.616 3.751 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164977320 722153365 /nfs/dbraw/zinc/15/33/65/722153365.db2.gz YQFBBLCGPNMULV-SDHSZQHLSA-N 2 1 435.616 3.751 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2nnc(Cc3ccccc3)c3ccccc32)c2c1CC[NH2+]C2 ZINC001164679478 719635836 /nfs/dbraw/zinc/63/58/36/719635836.db2.gz BWUZZAFVGIHNNP-UHFFFAOYSA-N 2 1 426.568 3.892 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2nnc(Cc3ccccc3)c3ccccc32)c2c1CC[NH2+]C2 ZINC001164679478 719635840 /nfs/dbraw/zinc/63/58/40/719635840.db2.gz BWUZZAFVGIHNNP-UHFFFAOYSA-N 2 1 426.568 3.892 20 0 IHADMP Cc1c(C)n(Cc2ccccc2)c2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164680600 719639515 /nfs/dbraw/zinc/63/95/15/719639515.db2.gz XSINCNUQKMJAPW-UHFFFAOYSA-N 2 1 443.599 3.768 20 0 IHADMP Cc1c(C)n(Cc2ccccc2)c2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164680600 719639518 /nfs/dbraw/zinc/63/95/18/719639518.db2.gz XSINCNUQKMJAPW-UHFFFAOYSA-N 2 1 443.599 3.768 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(-c3ccco3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164679602 719640546 /nfs/dbraw/zinc/64/05/46/719640546.db2.gz INZPNCMDVALBJE-UHFFFAOYSA-N 2 1 436.894 3.670 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(-c3ccco3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164679602 719640550 /nfs/dbraw/zinc/64/05/50/719640550.db2.gz INZPNCMDVALBJE-UHFFFAOYSA-N 2 1 436.894 3.670 20 0 IHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)C2 ZINC001164805903 720096509 /nfs/dbraw/zinc/09/65/09/720096509.db2.gz ANFZVNOFJAFPLE-LSYYVWMOSA-N 2 1 446.639 3.825 20 0 IHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164805903 720096514 /nfs/dbraw/zinc/09/65/14/720096514.db2.gz ANFZVNOFJAFPLE-LSYYVWMOSA-N 2 1 446.639 3.825 20 0 IHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164805903 720096517 /nfs/dbraw/zinc/09/65/17/720096517.db2.gz ANFZVNOFJAFPLE-LSYYVWMOSA-N 2 1 446.639 3.825 20 0 IHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)C2 ZINC001164807329 720125675 /nfs/dbraw/zinc/12/56/75/720125675.db2.gz BXRUXGFHBLCELC-ATIYNZHBSA-N 2 1 431.584 3.664 20 0 IHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)C2 ZINC001164807329 720125681 /nfs/dbraw/zinc/12/56/81/720125681.db2.gz BXRUXGFHBLCELC-ATIYNZHBSA-N 2 1 431.584 3.664 20 0 IHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@@H]21 ZINC001164842939 720557650 /nfs/dbraw/zinc/55/76/50/720557650.db2.gz ZBQGBADJDQKXPI-FKBYEOEOSA-N 2 1 443.039 3.905 20 0 IHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@@H]21 ZINC001164842939 720557651 /nfs/dbraw/zinc/55/76/51/720557651.db2.gz ZBQGBADJDQKXPI-FKBYEOEOSA-N 2 1 443.039 3.905 20 0 IHADMP CCOC(=O)c1c[nH]c2cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH+]cc21 ZINC001164838840 720708825 /nfs/dbraw/zinc/70/88/25/720708825.db2.gz JHRMSXODFHEDTN-HXUWFJFHSA-N 2 1 448.567 4.000 20 0 IHADMP Cn1ccc2c1cc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753896 720880050 /nfs/dbraw/zinc/88/00/50/720880050.db2.gz QHOSTWJADOTYHG-BKMJKUGQSA-N 2 1 431.584 3.723 20 0 IHADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164867729 721101715 /nfs/dbraw/zinc/10/17/15/721101715.db2.gz ZTXVLIKNCMZRQA-DNQXCXABSA-N 2 1 439.563 3.959 20 0 IHADMP Cc1cc(N2CCCC2)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164903907 721582614 /nfs/dbraw/zinc/58/26/14/721582614.db2.gz OZOGZJGAOHEMBS-JOCHJYFZSA-N 2 1 428.531 3.518 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164808134 721588454 /nfs/dbraw/zinc/58/84/54/721588454.db2.gz PZEHUYLEXHNNFH-QJXQVQFTSA-N 2 1 435.616 3.892 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164808134 721588456 /nfs/dbraw/zinc/58/84/56/721588456.db2.gz PZEHUYLEXHNNFH-QJXQVQFTSA-N 2 1 435.616 3.892 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164808134 721588459 /nfs/dbraw/zinc/58/84/59/721588459.db2.gz PZEHUYLEXHNNFH-QJXQVQFTSA-N 2 1 435.616 3.892 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)C[C@@H]21 ZINC001165018783 721831305 /nfs/dbraw/zinc/83/13/05/721831305.db2.gz AHPSUOSTYALRNY-IEZKXTBUSA-N 2 1 435.616 3.592 20 0 IHADMP Clc1ccc(C[NH+]2CCCC2)c(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)n1 ZINC001164958892 722051136 /nfs/dbraw/zinc/05/11/36/722051136.db2.gz HLRKVPPKXBGTSB-SFGWALBWSA-N 2 1 427.980 3.631 20 0 IHADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)cc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164994887 722196788 /nfs/dbraw/zinc/19/67/88/722196788.db2.gz QPLJSIRTBARBKZ-HSZRJFAPSA-N 2 1 429.971 3.981 20 0 IHADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001164625395 719045713 /nfs/dbraw/zinc/04/57/13/719045713.db2.gz PLQQZWZTTRTIBU-SQHAQQRYSA-N 2 1 425.580 3.618 20 0 IHADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001164625395 719045715 /nfs/dbraw/zinc/04/57/15/719045715.db2.gz PLQQZWZTTRTIBU-SQHAQQRYSA-N 2 1 425.580 3.618 20 0 IHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H](CF)[C@@H](C5([NH3+])CC5)C4)c32)C1 ZINC001164620593 719122563 /nfs/dbraw/zinc/12/25/63/719122563.db2.gz IROOXPTZIGDSLQ-RYRKJORJSA-N 2 1 443.636 3.925 20 0 IHADMP [NH3+]C1([C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2CF)CC1 ZINC001164620577 719122584 /nfs/dbraw/zinc/12/25/84/719122584.db2.gz ILELBPKFVXOJBE-NVXWUHKLSA-N 2 1 429.609 3.679 20 0 IHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H](CF)[C@@H](C5([NH3+])CC5)C3)n2)CCC4)CC1 ZINC001164625868 719122907 /nfs/dbraw/zinc/12/29/07/719122907.db2.gz ZFCQNUZYRIPPAE-WMZOPIPTSA-N 2 1 443.636 3.925 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)c2c1CC[NH2+]C2 ZINC001164679742 719641350 /nfs/dbraw/zinc/64/13/50/719641350.db2.gz LGLQRPIPTSFZCM-UHFFFAOYSA-N 2 1 438.963 3.659 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)c2c1CC[NH2+]C2 ZINC001164679742 719641354 /nfs/dbraw/zinc/64/13/54/719641354.db2.gz LGLQRPIPTSFZCM-UHFFFAOYSA-N 2 1 438.963 3.659 20 0 IHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C[NH+](C)C3CC3)cn1)CC2 ZINC001164710379 720146367 /nfs/dbraw/zinc/14/63/67/720146367.db2.gz ADVSAZSHXKXIMW-XMMPIXPASA-N 2 1 435.616 3.578 20 0 IHADMP COC[C@H]1CC2(C[NH+]1Cc1ccccn1)CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164710379 720146376 /nfs/dbraw/zinc/14/63/76/720146376.db2.gz ADVSAZSHXKXIMW-XMMPIXPASA-N 2 1 435.616 3.578 20 0 IHADMP COC[C@H]1CC2(C[NH+]1Cc1ccccn1)CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164710379 720146391 /nfs/dbraw/zinc/14/63/91/720146391.db2.gz ADVSAZSHXKXIMW-XMMPIXPASA-N 2 1 435.616 3.578 20 0 IHADMP CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842937 720558276 /nfs/dbraw/zinc/55/82/76/720558276.db2.gz ZBQGBADJDQKXPI-BHIFYINESA-N 2 1 443.039 3.905 20 0 IHADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842937 720558280 /nfs/dbraw/zinc/55/82/80/720558280.db2.gz ZBQGBADJDQKXPI-BHIFYINESA-N 2 1 443.039 3.905 20 0 IHADMP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]cc21 ZINC001165027322 721821982 /nfs/dbraw/zinc/82/19/82/721821982.db2.gz RWVMDHGLKIFJSY-LXBDKUERSA-N 2 1 433.556 3.872 20 0 IHADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)cc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164994893 722196738 /nfs/dbraw/zinc/19/67/38/722196738.db2.gz QPLJSIRTBARBKZ-QHCPKHFHSA-N 2 1 429.971 3.981 20 0 IHADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164389455 718824601 /nfs/dbraw/zinc/82/46/01/718824601.db2.gz IOJWXDRHDPGVKC-LEWJYISDSA-N 2 1 449.624 3.911 20 0 IHADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc([C@@H]3CCCC[N@H+]3CC)cn1)C2 ZINC001164616748 719011488 /nfs/dbraw/zinc/01/14/88/719011488.db2.gz LLNDWYDLDZSGCC-MCEYFSPLSA-N 2 1 440.632 3.778 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679737 719648450 /nfs/dbraw/zinc/64/84/50/719648450.db2.gz LDIMAQIKOLCPCM-UHFFFAOYSA-N 2 1 445.615 3.806 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679737 719648458 /nfs/dbraw/zinc/64/84/58/719648458.db2.gz LDIMAQIKOLCPCM-UHFFFAOYSA-N 2 1 445.615 3.806 20 0 IHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)C2 ZINC001164805901 720097270 /nfs/dbraw/zinc/09/72/70/720097270.db2.gz ANFZVNOFJAFPLE-LBNVMWSVSA-N 2 1 446.639 3.825 20 0 IHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164805901 720097274 /nfs/dbraw/zinc/09/72/74/720097274.db2.gz ANFZVNOFJAFPLE-LBNVMWSVSA-N 2 1 446.639 3.825 20 0 IHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164805901 720097277 /nfs/dbraw/zinc/09/72/77/720097277.db2.gz ANFZVNOFJAFPLE-LBNVMWSVSA-N 2 1 446.639 3.825 20 0 IHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816436 720125112 /nfs/dbraw/zinc/12/51/12/720125112.db2.gz YSYHSMCSAXKBPB-RLWLMLJZSA-N 2 1 449.574 3.803 20 0 IHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816436 720125118 /nfs/dbraw/zinc/12/51/18/720125118.db2.gz YSYHSMCSAXKBPB-RLWLMLJZSA-N 2 1 449.574 3.803 20 0 IHADMP c1ccc(C[NH+]2CCc3nc(N4CC[C@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723153 720363257 /nfs/dbraw/zinc/36/32/57/720363257.db2.gz GIBDRPDZTSMBRB-IZZNHLLZSA-N 2 1 425.580 3.888 20 0 IHADMP c1ccc(C[N@@H+]2CCc3nc(N4CC[C@H]5[C@H]4CC[NH+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723153 720363267 /nfs/dbraw/zinc/36/32/67/720363267.db2.gz GIBDRPDZTSMBRB-IZZNHLLZSA-N 2 1 425.580 3.888 20 0 IHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[C@H]5[C@H]4CC[NH+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723153 720363275 /nfs/dbraw/zinc/36/32/75/720363275.db2.gz GIBDRPDZTSMBRB-IZZNHLLZSA-N 2 1 425.580 3.888 20 0 IHADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc2cc1OC ZINC001164835331 720615965 /nfs/dbraw/zinc/61/59/65/720615965.db2.gz BDZQMVQOVYTMFS-FDFHNCONSA-N 2 1 435.572 3.826 20 0 IHADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2cc1OC ZINC001164835331 720615970 /nfs/dbraw/zinc/61/59/70/720615970.db2.gz BDZQMVQOVYTMFS-FDFHNCONSA-N 2 1 435.572 3.826 20 0 IHADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc2cc1OC ZINC001164835328 720616071 /nfs/dbraw/zinc/61/60/71/720616071.db2.gz BDZQMVQOVYTMFS-BHIFYINESA-N 2 1 435.572 3.826 20 0 IHADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2cc1OC ZINC001164835328 720616079 /nfs/dbraw/zinc/61/60/79/720616079.db2.gz BDZQMVQOVYTMFS-BHIFYINESA-N 2 1 435.572 3.826 20 0 IHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164880953 721181380 /nfs/dbraw/zinc/18/13/80/721181380.db2.gz YEDJWJBCCPRWBD-ISJGIBHGSA-N 2 1 435.616 3.893 20 0 IHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164880953 721181384 /nfs/dbraw/zinc/18/13/84/721181384.db2.gz YEDJWJBCCPRWBD-ISJGIBHGSA-N 2 1 435.616 3.893 20 0 IHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164880953 721181387 /nfs/dbraw/zinc/18/13/87/721181387.db2.gz YEDJWJBCCPRWBD-ISJGIBHGSA-N 2 1 435.616 3.893 20 0 IHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1 ZINC001165013133 721748892 /nfs/dbraw/zinc/74/88/92/721748892.db2.gz VKFUMZHDJDPPNJ-JOCHJYFZSA-N 2 1 427.637 3.542 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164977313 722153562 /nfs/dbraw/zinc/15/35/62/722153562.db2.gz YQFBBLCGPNMULV-GVAUOCQISA-N 2 1 435.616 3.751 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164977313 722153566 /nfs/dbraw/zinc/15/35/66/722153566.db2.gz YQFBBLCGPNMULV-GVAUOCQISA-N 2 1 435.616 3.751 20 0 IHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164977313 722153570 /nfs/dbraw/zinc/15/35/70/722153570.db2.gz YQFBBLCGPNMULV-GVAUOCQISA-N 2 1 435.616 3.751 20 0 IHADMP Cc1nc2c(n1-c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)CC[NH2+]CC2 ZINC001164427762 718949796 /nfs/dbraw/zinc/94/97/96/718949796.db2.gz FTOOJNZZHBBDJG-UHFFFAOYSA-N 2 1 436.629 3.594 20 0 IHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H](C5([NH3+])CC5)[C@H](CF)C3)n2)CCC4)CC1 ZINC001164625858 719122295 /nfs/dbraw/zinc/12/22/95/719122295.db2.gz ZFCQNUZYRIPPAE-AEFFLSMTSA-N 2 1 443.636 3.925 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc3ccsc3c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164683962 719612215 /nfs/dbraw/zinc/61/22/15/719612215.db2.gz LSFVPIWSNPNXKF-UHFFFAOYSA-N 2 1 426.924 3.625 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc3ccsc3c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164683962 719612219 /nfs/dbraw/zinc/61/22/19/719612219.db2.gz LSFVPIWSNPNXKF-UHFFFAOYSA-N 2 1 426.924 3.625 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3cc(OCc4ccccc4)ccc32)c2c1CC[NH2+]C2 ZINC001164684251 719648962 /nfs/dbraw/zinc/64/89/62/719648962.db2.gz WOAUWXVJRMTAQZ-UHFFFAOYSA-N 2 1 442.567 3.880 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3cc(OCc4ccccc4)ccc32)c2c1CC[NH2+]C2 ZINC001164684251 719648967 /nfs/dbraw/zinc/64/89/67/719648967.db2.gz WOAUWXVJRMTAQZ-UHFFFAOYSA-N 2 1 442.567 3.880 20 0 IHADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164694978 719889623 /nfs/dbraw/zinc/88/96/23/719889623.db2.gz IQSXODUYXRPOAU-UHFFFAOYSA-N 2 1 448.036 3.530 20 0 IHADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164694978 719889624 /nfs/dbraw/zinc/88/96/24/719889624.db2.gz IQSXODUYXRPOAU-UHFFFAOYSA-N 2 1 448.036 3.530 20 0 IHADMP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1OC ZINC001164834581 720552204 /nfs/dbraw/zinc/55/22/04/720552204.db2.gz FAQQIQZSGZKADN-RZUBCFFCSA-N 2 1 435.572 3.826 20 0 IHADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc2cc1OC ZINC001164835333 720616510 /nfs/dbraw/zinc/61/65/10/720616510.db2.gz BDZQMVQOVYTMFS-YPAWHYETSA-N 2 1 435.572 3.826 20 0 IHADMP COc1cc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2cc1OC ZINC001164835333 720616517 /nfs/dbraw/zinc/61/65/17/720616517.db2.gz BDZQMVQOVYTMFS-YPAWHYETSA-N 2 1 435.572 3.826 20 0 IHADMP Cn1ccc2c1cc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753892 720880328 /nfs/dbraw/zinc/88/03/28/720880328.db2.gz QHOSTWJADOTYHG-ATIYNZHBSA-N 2 1 431.584 3.723 20 0 IHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164796399 721498569 /nfs/dbraw/zinc/49/85/69/721498569.db2.gz UPBIBLAADFOYRU-UHFFFAOYSA-N 2 1 435.616 3.832 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C[C@H]21 ZINC001165019548 721807266 /nfs/dbraw/zinc/80/72/66/721807266.db2.gz CZGQGZRXBXMTJP-SYYKKAFVSA-N 2 1 441.023 3.729 20 0 IHADMP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]cc21 ZINC001165027310 721821969 /nfs/dbraw/zinc/82/19/69/721821969.db2.gz RWVMDHGLKIFJSY-AMHTUMDSSA-N 2 1 433.556 3.872 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)C[C@@H]21 ZINC001165018782 721831445 /nfs/dbraw/zinc/83/14/45/721831445.db2.gz AHPSUOSTYALRNY-GVXSCFBNSA-N 2 1 435.616 3.592 20 0 IHADMP C(c1nc2sc3c(c2c(N2CCC(C4C[NH2+]C4)CC2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164615901 719037326 /nfs/dbraw/zinc/03/73/26/719037326.db2.gz SBSLATQLSYVMIJ-UHFFFAOYSA-N 2 1 425.646 3.992 20 0 IHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H](C5([NH3+])CC5)[C@H](CF)C4)c32)C1 ZINC001164620592 719122328 /nfs/dbraw/zinc/12/23/28/719122328.db2.gz IROOXPTZIGDSLQ-NUJGCVRESA-N 2 1 443.636 3.925 20 0 IHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816432 720124973 /nfs/dbraw/zinc/12/49/73/720124973.db2.gz YSYHSMCSAXKBPB-LVXARBLLSA-N 2 1 449.574 3.803 20 0 IHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816432 720124976 /nfs/dbraw/zinc/12/49/76/720124976.db2.gz YSYHSMCSAXKBPB-LVXARBLLSA-N 2 1 449.574 3.803 20 0 IHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3C(C)C)CC2 ZINC001164714126 720136575 /nfs/dbraw/zinc/13/65/75/720136575.db2.gz WIHZKEMZFVGGTN-NRFANRHFSA-N 2 1 434.588 3.915 20 0 IHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3C(C)C)CC2 ZINC001164714126 720136588 /nfs/dbraw/zinc/13/65/88/720136588.db2.gz WIHZKEMZFVGGTN-NRFANRHFSA-N 2 1 434.588 3.915 20 0 IHADMP c1ccc(C[NH+]2CCc3nc(N4CC[C@@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723151 720361992 /nfs/dbraw/zinc/36/19/92/720361992.db2.gz GIBDRPDZTSMBRB-FTJBHMTQSA-N 2 1 425.580 3.888 20 0 IHADMP c1ccc(C[N@@H+]2CCc3nc(N4CC[C@@H]5[C@@H]4CC[NH+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723151 720361999 /nfs/dbraw/zinc/36/19/99/720361999.db2.gz GIBDRPDZTSMBRB-FTJBHMTQSA-N 2 1 425.580 3.888 20 0 IHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[C@@H]5[C@@H]4CC[NH+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723151 720362011 /nfs/dbraw/zinc/36/20/11/720362011.db2.gz GIBDRPDZTSMBRB-FTJBHMTQSA-N 2 1 425.580 3.888 20 0 IHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164732579 720524234 /nfs/dbraw/zinc/52/42/34/720524234.db2.gz FLXYAYKXHXFIAR-GOSISDBHSA-N 2 1 441.649 3.544 20 0 IHADMP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164838871 720736662 /nfs/dbraw/zinc/73/66/62/720736662.db2.gz YUDIKNICMQNMAB-UHFFFAOYSA-N 2 1 442.611 3.889 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164741282 720832222 /nfs/dbraw/zinc/83/22/22/720832222.db2.gz DWLPURATVGOJAE-XKCSPQBFSA-N 2 1 446.603 3.517 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164741282 720832225 /nfs/dbraw/zinc/83/22/25/720832225.db2.gz DWLPURATVGOJAE-XKCSPQBFSA-N 2 1 446.603 3.517 20 0 IHADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)c12 ZINC001164760007 721044716 /nfs/dbraw/zinc/04/47/16/721044716.db2.gz UFLPQFXSPFMNIH-UHFFFAOYSA-N 2 1 433.556 3.936 20 0 IHADMP CC(C)(C)N(c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164735801 720544602 /nfs/dbraw/zinc/54/46/02/720544602.db2.gz RMHQABYXGJUWKK-NRFANRHFSA-N 2 1 435.616 3.551 20 0 IHADMP CC(C)(C)N(c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164735801 720544612 /nfs/dbraw/zinc/54/46/12/720544612.db2.gz RMHQABYXGJUWKK-NRFANRHFSA-N 2 1 435.616 3.551 20 0 IHADMP Cn1ccc2c1cc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753899 720879911 /nfs/dbraw/zinc/87/99/11/720879911.db2.gz QHOSTWJADOTYHG-GJZUVCINSA-N 2 1 431.584 3.723 20 0 IHADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[N@@H+]3C2)c1 ZINC001164911942 721539509 /nfs/dbraw/zinc/53/95/09/721539509.db2.gz XPLRLEUPOJAHAH-FPOVZHCZSA-N 2 1 430.955 3.812 20 0 IHADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[N@H+]3C2)c1 ZINC001164911942 721539514 /nfs/dbraw/zinc/53/95/14/721539514.db2.gz XPLRLEUPOJAHAH-FPOVZHCZSA-N 2 1 430.955 3.812 20 0 IHADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[N@@H+]3C2)c1 ZINC001164911940 721540234 /nfs/dbraw/zinc/54/02/34/721540234.db2.gz XPLRLEUPOJAHAH-CTNGQTDRSA-N 2 1 430.955 3.812 20 0 IHADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[N@H+]3C2)c1 ZINC001164911940 721540239 /nfs/dbraw/zinc/54/02/39/721540239.db2.gz XPLRLEUPOJAHAH-CTNGQTDRSA-N 2 1 430.955 3.812 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)C[C@H]21 ZINC001165018780 721831248 /nfs/dbraw/zinc/83/12/48/721831248.db2.gz AHPSUOSTYALRNY-FTBPSBKWSA-N 2 1 435.616 3.592 20 0 IHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984210 722146096 /nfs/dbraw/zinc/14/60/96/722146096.db2.gz WKLCBVNRXMSNJH-ZCYQVOJMSA-N 2 1 443.595 3.957 20 0 IHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816430 720124407 /nfs/dbraw/zinc/12/44/07/720124407.db2.gz YSYHSMCSAXKBPB-HFZDXXHNSA-N 2 1 449.574 3.803 20 0 IHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)C2 ZINC001164816430 720124409 /nfs/dbraw/zinc/12/44/09/720124409.db2.gz YSYHSMCSAXKBPB-HFZDXXHNSA-N 2 1 449.574 3.803 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164823482 720351126 /nfs/dbraw/zinc/35/11/26/720351126.db2.gz GKCWVRIPJKYJHX-SGNDLWITSA-N 2 1 439.648 3.540 20 0 IHADMP c1ccc(C[NH+]2CCc3nc(N4CC[C@@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723149 720362691 /nfs/dbraw/zinc/36/26/91/720362691.db2.gz GIBDRPDZTSMBRB-CLJLJLNGSA-N 2 1 425.580 3.888 20 0 IHADMP c1ccc(C[N@@H+]2CCc3nc(N4CC[C@@H]5[C@H]4CC[NH+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723149 720362698 /nfs/dbraw/zinc/36/26/98/720362698.db2.gz GIBDRPDZTSMBRB-CLJLJLNGSA-N 2 1 425.580 3.888 20 0 IHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[C@@H]5[C@H]4CC[NH+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723149 720362707 /nfs/dbraw/zinc/36/27/07/720362707.db2.gz GIBDRPDZTSMBRB-CLJLJLNGSA-N 2 1 425.580 3.888 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164741274 720831969 /nfs/dbraw/zinc/83/19/69/720831969.db2.gz DWLPURATVGOJAE-KJXAQDMKSA-N 2 1 446.603 3.517 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164741274 720831971 /nfs/dbraw/zinc/83/19/71/720831971.db2.gz DWLPURATVGOJAE-KJXAQDMKSA-N 2 1 446.603 3.517 20 0 IHADMP Cc1ccc(C[NH+]2CCC3(CCN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)CC3)CC2)cc1 ZINC001164759109 721045283 /nfs/dbraw/zinc/04/52/83/721045283.db2.gz GFMZBXJGSWGYNP-UHFFFAOYSA-N 3 1 434.632 3.595 20 0 IHADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[N@@H+]3C2)c1 ZINC001164911946 721539812 /nfs/dbraw/zinc/53/98/12/721539812.db2.gz XPLRLEUPOJAHAH-TZIWHRDSSA-N 2 1 430.955 3.812 20 0 IHADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[N@H+]3C2)c1 ZINC001164911946 721539816 /nfs/dbraw/zinc/53/98/16/721539816.db2.gz XPLRLEUPOJAHAH-TZIWHRDSSA-N 2 1 430.955 3.812 20 0 IHADMP C[N@@H+](Cc1ccc(N2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1)C1CC1 ZINC001164909850 721728232 /nfs/dbraw/zinc/72/82/32/721728232.db2.gz DXGBYOSXJXHMTK-HSZRJFAPSA-N 2 1 427.543 3.809 20 0 IHADMP C[NH+](Cc1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1)C1CC1 ZINC001164909850 721728238 /nfs/dbraw/zinc/72/82/38/721728238.db2.gz DXGBYOSXJXHMTK-HSZRJFAPSA-N 2 1 427.543 3.809 20 0 IHADMP C[NH+](Cc1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1)C1CC1 ZINC001164909850 721728250 /nfs/dbraw/zinc/72/82/50/721728250.db2.gz DXGBYOSXJXHMTK-HSZRJFAPSA-N 2 1 427.543 3.809 20 0 IHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(Cl)nc5c4CC[NH2+]C5)CC3)C2)cc1 ZINC001164939919 721929575 /nfs/dbraw/zinc/92/95/75/721929575.db2.gz OWZYXTSRQYHNOS-UHFFFAOYSA-N 2 1 426.992 3.561 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)nn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001164963356 722025524 /nfs/dbraw/zinc/02/55/24/722025524.db2.gz SMAAJZYINMTOLR-FBLLAGFSSA-N 2 1 436.604 3.776 20 0 IHADMP COc1cc2c[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cc2cc1OC ZINC001164960031 722060466 /nfs/dbraw/zinc/06/04/66/722060466.db2.gz DLPPMEKMJFVHDL-UHFFFAOYSA-N 2 1 448.567 3.766 20 0 IHADMP COc1cc2c[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cc2cc1OC ZINC001164960031 722060467 /nfs/dbraw/zinc/06/04/67/722060467.db2.gz DLPPMEKMJFVHDL-UHFFFAOYSA-N 2 1 448.567 3.766 20 0 IHADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)cs1 ZINC001164691538 719812337 /nfs/dbraw/zinc/81/23/37/719812337.db2.gz GOKSYVCJFPDRPP-UHFFFAOYSA-N 2 1 441.645 3.956 20 0 IHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)C2 ZINC001164807331 720126450 /nfs/dbraw/zinc/12/64/50/720126450.db2.gz BXRUXGFHBLCELC-BKMJKUGQSA-N 2 1 431.584 3.664 20 0 IHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)C2 ZINC001164807331 720126453 /nfs/dbraw/zinc/12/64/53/720126453.db2.gz BXRUXGFHBLCELC-BKMJKUGQSA-N 2 1 431.584 3.664 20 0 IHADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3cc(OC)ccc31)CC2 ZINC001164785955 721454692 /nfs/dbraw/zinc/45/46/92/721454692.db2.gz KEWWRFWRVWSFQF-QFIPXVFZSA-N 2 1 439.600 3.977 20 0 IHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3cc(OC)ccc31)CC2 ZINC001164785955 721454694 /nfs/dbraw/zinc/45/46/94/721454694.db2.gz KEWWRFWRVWSFQF-QFIPXVFZSA-N 2 1 439.600 3.977 20 0 IHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1 ZINC001165013134 721748941 /nfs/dbraw/zinc/74/89/41/721748941.db2.gz VKFUMZHDJDPPNJ-QFIPXVFZSA-N 2 1 427.637 3.542 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971377 722122035 /nfs/dbraw/zinc/12/20/35/722122035.db2.gz BQBRTTLUMMOFOF-REWPJTCUSA-N 2 1 432.572 3.669 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971377 722122041 /nfs/dbraw/zinc/12/20/41/722122041.db2.gz BQBRTTLUMMOFOF-REWPJTCUSA-N 2 1 432.572 3.669 20 0 IHADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc([C@@H]3CCCC[N@H+]3CC)cn1)C2 ZINC001164616759 719011068 /nfs/dbraw/zinc/01/10/68/719011068.db2.gz LLNDWYDLDZSGCC-VRUMLPLGSA-N 2 1 440.632 3.778 20 0 IHADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)C2)cc1 ZINC001164625391 719045549 /nfs/dbraw/zinc/04/55/49/719045549.db2.gz PLQQZWZTTRTIBU-RPLLCQBOSA-N 2 1 425.580 3.618 20 0 IHADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)C2)cc1 ZINC001164625391 719045556 /nfs/dbraw/zinc/04/55/56/719045556.db2.gz PLQQZWZTTRTIBU-RPLLCQBOSA-N 2 1 425.580 3.618 20 0 IHADMP CC(C)[N@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccccc2F)c2c1CC[NH2+]C2 ZINC001164682828 719649253 /nfs/dbraw/zinc/64/92/53/719649253.db2.gz TUIHUCKHKFSTFO-UHFFFAOYSA-N 2 1 430.915 3.733 20 0 IHADMP CC(C)[N@@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccccc2F)c2c1CC[NH2+]C2 ZINC001164682828 719649260 /nfs/dbraw/zinc/64/92/60/719649260.db2.gz TUIHUCKHKFSTFO-UHFFFAOYSA-N 2 1 430.915 3.733 20 0 IHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164823499 720350774 /nfs/dbraw/zinc/35/07/74/720350774.db2.gz GKCWVRIPJKYJHX-TZRRMPRUSA-N 2 1 439.648 3.540 20 0 IHADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164950092 722006198 /nfs/dbraw/zinc/00/61/98/722006198.db2.gz BPPOMPOFZFLHCE-UHFFFAOYSA-N 2 1 444.583 3.681 20 0 IHADMP CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)CC1 ZINC001164618003 719027979 /nfs/dbraw/zinc/02/79/79/719027979.db2.gz UJEIRNMUPWFRLN-UHFFFAOYSA-N 2 1 435.012 3.575 20 0 IHADMP [NH3+]C1([C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CF)CC1 ZINC001164620579 719123042 /nfs/dbraw/zinc/12/30/42/719123042.db2.gz ILELBPKFVXOJBE-RDJZCZTQSA-N 2 1 429.609 3.679 20 0 IHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)n1 ZINC001164619507 719124316 /nfs/dbraw/zinc/12/43/16/719124316.db2.gz DSMKBYQUDAXDHW-WMZOPIPTSA-N 2 1 425.577 3.933 20 0 IHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164711323 720154898 /nfs/dbraw/zinc/15/48/98/720154898.db2.gz AZAMIABUCDWYKL-XMMPIXPASA-N 2 1 435.616 3.580 20 0 IHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164754052 720897914 /nfs/dbraw/zinc/89/79/14/720897914.db2.gz INQTXOSDTQQQLP-IGKIAQTJSA-N 2 1 447.627 3.832 20 0 IHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871581 721157778 /nfs/dbraw/zinc/15/77/78/721157778.db2.gz FUCOBLVSMMPFGW-XZOQPEGZSA-N 2 1 429.568 3.710 20 0 IHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871581 721157786 /nfs/dbraw/zinc/15/77/86/721157786.db2.gz FUCOBLVSMMPFGW-XZOQPEGZSA-N 2 1 429.568 3.710 20 0 IHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164880954 721181201 /nfs/dbraw/zinc/18/12/01/721181201.db2.gz YEDJWJBCCPRWBD-UBFVSLLYSA-N 2 1 435.616 3.893 20 0 IHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164880954 721181210 /nfs/dbraw/zinc/18/12/10/721181210.db2.gz YEDJWJBCCPRWBD-UBFVSLLYSA-N 2 1 435.616 3.893 20 0 IHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164880954 721181219 /nfs/dbraw/zinc/18/12/19/721181219.db2.gz YEDJWJBCCPRWBD-UBFVSLLYSA-N 2 1 435.616 3.893 20 0 IHADMP Cc1nc(N2CCCC2)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164906991 721586114 /nfs/dbraw/zinc/58/61/14/721586114.db2.gz QEXKTNKWEKMGQG-JOCHJYFZSA-N 2 1 428.531 3.518 20 0 IHADMP Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(N2CCCC2)[nH+]1 ZINC001164906991 721586112 /nfs/dbraw/zinc/58/61/12/721586112.db2.gz QEXKTNKWEKMGQG-JOCHJYFZSA-N 2 1 428.531 3.518 20 0 IHADMP Cc1nc(N2CCCC2)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164906991 721586113 /nfs/dbraw/zinc/58/61/13/721586113.db2.gz QEXKTNKWEKMGQG-JOCHJYFZSA-N 2 1 428.531 3.518 20 0 IHADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc([C@H]3CCCC[N@H+]3CC)cn1)C2 ZINC001164616740 719011008 /nfs/dbraw/zinc/01/10/08/719011008.db2.gz LLNDWYDLDZSGCC-DRLORSAXSA-N 2 1 440.632 3.778 20 0 IHADMP COc1cccc(-c2nc3ccccc3c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)c1 ZINC001164679626 719645420 /nfs/dbraw/zinc/64/54/20/719645420.db2.gz IYYFPXIWISAWPZ-UHFFFAOYSA-N 2 1 442.567 3.977 20 0 IHADMP COc1cccc(-c2nc3ccccc3c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)c1 ZINC001164679626 719645431 /nfs/dbraw/zinc/64/54/31/719645431.db2.gz IYYFPXIWISAWPZ-UHFFFAOYSA-N 2 1 442.567 3.977 20 0 IHADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3cc(OC)ccc3c[nH+]1)CC2 ZINC001164786896 721463701 /nfs/dbraw/zinc/46/37/01/721463701.db2.gz QHLZRALWGTVNLZ-QHCPKHFHSA-N 2 1 439.600 3.977 20 0 IHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3cc(OC)ccc3c[nH+]1)CC2 ZINC001164786896 721463702 /nfs/dbraw/zinc/46/37/02/721463702.db2.gz QHLZRALWGTVNLZ-QHCPKHFHSA-N 2 1 439.600 3.977 20 0 IHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)nc1 ZINC001165014631 721766934 /nfs/dbraw/zinc/76/69/34/721766934.db2.gz HRORMAMAIVRVLI-QFIPXVFZSA-N 2 1 446.603 3.837 20 0 IHADMP FC(F)(F)[C@H]1N(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164387985 718814476 /nfs/dbraw/zinc/81/44/76/718814476.db2.gz LHLDFSKFSXEMCS-NRFANRHFSA-N 2 1 431.506 3.546 20 0 IHADMP FC(F)(F)[C@H]1N(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164387985 718814479 /nfs/dbraw/zinc/81/44/79/718814479.db2.gz LHLDFSKFSXEMCS-NRFANRHFSA-N 2 1 431.506 3.546 20 0 IHADMP COc1ccc(Oc2nc(Cl)ncc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164680991 719651683 /nfs/dbraw/zinc/65/16/83/719651683.db2.gz KULBATYMJDZKPY-UHFFFAOYSA-N 2 1 442.951 3.603 20 0 IHADMP COc1ccc(Oc2nc(Cl)ncc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164680991 719651690 /nfs/dbraw/zinc/65/16/90/719651690.db2.gz KULBATYMJDZKPY-UHFFFAOYSA-N 2 1 442.951 3.603 20 0 IHADMP CC(C)n1nc(CN(c2nccs2)c2ccc(C[N@@H+](C)C3CC3)cn2)c2c1C[NH2+]CC2 ZINC001164712936 720091289 /nfs/dbraw/zinc/09/12/89/720091289.db2.gz YXEWLUUONYQRNV-UHFFFAOYSA-N 2 1 437.617 3.894 20 0 IHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)C2 ZINC001164807333 720126190 /nfs/dbraw/zinc/12/61/90/720126190.db2.gz BXRUXGFHBLCELC-GJZUVCINSA-N 2 1 431.584 3.664 20 0 IHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)C2 ZINC001164807333 720126200 /nfs/dbraw/zinc/12/62/00/720126200.db2.gz BXRUXGFHBLCELC-GJZUVCINSA-N 2 1 431.584 3.664 20 0 IHADMP Cc1ccc2c(C)cc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)[nH+]c2c1C ZINC001164717195 720199028 /nfs/dbraw/zinc/19/90/28/720199028.db2.gz USJNVSIWXFOWPL-QFIPXVFZSA-N 2 1 434.588 3.505 20 0 IHADMP CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842938 720557223 /nfs/dbraw/zinc/55/72/23/720557223.db2.gz ZBQGBADJDQKXPI-FDFHNCONSA-N 2 1 443.039 3.905 20 0 IHADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842938 720557233 /nfs/dbraw/zinc/55/72/33/720557233.db2.gz ZBQGBADJDQKXPI-FDFHNCONSA-N 2 1 443.039 3.905 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164741270 720832010 /nfs/dbraw/zinc/83/20/10/720832010.db2.gz DWLPURATVGOJAE-IEIRFRATSA-N 2 1 446.603 3.517 20 0 IHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164741270 720832012 /nfs/dbraw/zinc/83/20/12/720832012.db2.gz DWLPURATVGOJAE-IEIRFRATSA-N 2 1 446.603 3.517 20 0 IHADMP Cn1ccc2c1cc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753904 720879826 /nfs/dbraw/zinc/87/98/26/720879826.db2.gz QHOSTWJADOTYHG-NVQXNPDNSA-N 2 1 431.584 3.723 20 0 IHADMP Cc1cc(N2CCCC2)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164903912 721582807 /nfs/dbraw/zinc/58/28/07/721582807.db2.gz OZOGZJGAOHEMBS-QFIPXVFZSA-N 2 1 428.531 3.518 20 0 IHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C[C@H]21 ZINC001165019542 721807259 /nfs/dbraw/zinc/80/72/59/721807259.db2.gz CZGQGZRXBXMTJP-CZTZKLFOSA-N 2 1 441.023 3.729 20 0 IHADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CCOCC34C[NH2+]C4)c2c1-c1ccccc1 ZINC001164401741 718860426 /nfs/dbraw/zinc/86/04/26/718860426.db2.gz HUDAGCLGAKJZJD-UHFFFAOYSA-N 2 1 435.597 3.523 20 0 IHADMP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC2)CC1 ZINC001164616340 719027919 /nfs/dbraw/zinc/02/79/19/719027919.db2.gz BBVPWSPHMBVIHP-UHFFFAOYSA-N 2 1 447.583 3.724 20 0 IHADMP c1ccc(C[NH+]2CCc3nc(N4CC[C@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723155 720362237 /nfs/dbraw/zinc/36/22/37/720362237.db2.gz GIBDRPDZTSMBRB-UIOOFZCWSA-N 2 1 425.580 3.888 20 0 IHADMP c1ccc(C[N@@H+]2CCc3nc(N4CC[C@H]5[C@@H]4CC[NH+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723155 720362245 /nfs/dbraw/zinc/36/22/45/720362245.db2.gz GIBDRPDZTSMBRB-UIOOFZCWSA-N 2 1 425.580 3.888 20 0 IHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[C@H]5[C@@H]4CC[NH+]5Cc4cccnc4)ccc3C2)cc1 ZINC001164723155 720362249 /nfs/dbraw/zinc/36/22/49/720362249.db2.gz GIBDRPDZTSMBRB-UIOOFZCWSA-N 2 1 425.580 3.888 20 0 IHADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164754059 720898221 /nfs/dbraw/zinc/89/82/21/720898221.db2.gz INQTXOSDTQQQLP-SQHAQQRYSA-N 2 1 447.627 3.832 20 0 IHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164880951 721179439 /nfs/dbraw/zinc/17/94/39/721179439.db2.gz YEDJWJBCCPRWBD-CCDWMCETSA-N 2 1 435.616 3.893 20 0 IHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164880951 721179442 /nfs/dbraw/zinc/17/94/42/721179442.db2.gz YEDJWJBCCPRWBD-CCDWMCETSA-N 2 1 435.616 3.893 20 0 IHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164880951 721179446 /nfs/dbraw/zinc/17/94/46/721179446.db2.gz YEDJWJBCCPRWBD-CCDWMCETSA-N 2 1 435.616 3.893 20 0 IHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164880952 721180005 /nfs/dbraw/zinc/18/00/05/721180005.db2.gz YEDJWJBCCPRWBD-DSNGMDLFSA-N 2 1 435.616 3.893 20 0 IHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164880952 721180006 /nfs/dbraw/zinc/18/00/06/721180006.db2.gz YEDJWJBCCPRWBD-DSNGMDLFSA-N 2 1 435.616 3.893 20 0 IHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164880952 721180007 /nfs/dbraw/zinc/18/00/07/721180007.db2.gz YEDJWJBCCPRWBD-DSNGMDLFSA-N 2 1 435.616 3.893 20 0 IHADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)c3ccccc3[nH+]1)CC2 ZINC001164784811 721463693 /nfs/dbraw/zinc/46/36/93/721463693.db2.gz KJRXYCQPNQOOQM-OAQYLSRUSA-N 2 1 439.600 3.977 20 0 IHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)c3ccccc3[nH+]1)CC2 ZINC001164784811 721463694 /nfs/dbraw/zinc/46/36/94/721463694.db2.gz KJRXYCQPNQOOQM-OAQYLSRUSA-N 2 1 439.600 3.977 20 0 IHADMP C[N@@H+](Cc1ccc(N2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)nc1)C1CC1 ZINC001164909852 721729441 /nfs/dbraw/zinc/72/94/41/721729441.db2.gz DXGBYOSXJXHMTK-QHCPKHFHSA-N 2 1 427.543 3.809 20 0 IHADMP C[NH+](Cc1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1)C1CC1 ZINC001164909852 721729449 /nfs/dbraw/zinc/72/94/49/721729449.db2.gz DXGBYOSXJXHMTK-QHCPKHFHSA-N 2 1 427.543 3.809 20 0 IHADMP C[NH+](Cc1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1)C1CC1 ZINC001164909852 721729457 /nfs/dbraw/zinc/72/94/57/721729457.db2.gz DXGBYOSXJXHMTK-QHCPKHFHSA-N 2 1 427.543 3.809 20 0 IHADMP