smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164413231 718880168 /nfs/dbraw/zinc/88/01/68/718880168.db2.gz DXVKJMDTTPAALQ-OAQYLSRUSA-N 2 1 430.518 4.293 20 0 IIADMP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)[C@@H]3C2)cc1 ZINC001164627182 719074322 /nfs/dbraw/zinc/07/43/22/719074322.db2.gz PQARLTXNQJFWSN-RPLLCQBOSA-N 2 1 439.607 4.136 20 0 IIADMP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)[C@@H]3C2)cc1 ZINC001164627182 719074328 /nfs/dbraw/zinc/07/43/28/719074328.db2.gz PQARLTXNQJFWSN-RPLLCQBOSA-N 2 1 439.607 4.136 20 0 IIADMP c1ccc(C[NH+]2C[C@@H]3CCCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)[C@@H]3C2)cc1 ZINC001164627182 719074333 /nfs/dbraw/zinc/07/43/33/719074333.db2.gz PQARLTXNQJFWSN-RPLLCQBOSA-N 2 1 439.607 4.136 20 0 IIADMP c1ccc(C[NH+]2C[C@@H]3CCCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)[C@@H]3C2)cc1 ZINC001164627182 719074339 /nfs/dbraw/zinc/07/43/39/719074339.db2.gz PQARLTXNQJFWSN-RPLLCQBOSA-N 2 1 439.607 4.136 20 0 IIADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4c([nH+]3)CCCC4)CC2)c2ccccc21 ZINC001164681122 719666236 /nfs/dbraw/zinc/66/62/36/719666236.db2.gz JWXQMSDXMCBUEQ-QFIPXVFZSA-N 2 1 446.639 4.054 20 0 IIADMP COc1cc2cc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2cc1OC ZINC001164696599 719893632 /nfs/dbraw/zinc/89/36/32/719893632.db2.gz GERHQQDBFMQUIP-UHFFFAOYSA-N 2 1 439.581 4.185 20 0 IIADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835160 720615396 /nfs/dbraw/zinc/61/53/96/720615396.db2.gz AEYGEQKPWQAGDL-GIFXNVAJSA-N 2 1 444.627 4.409 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2nc3cc(Cl)c(Cl)cc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164685687 719614878 /nfs/dbraw/zinc/61/48/78/719614878.db2.gz VNHFSKBSWQKTIE-UHFFFAOYSA-N 2 1 439.778 4.262 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3cc(Cl)c(Cl)cc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164685687 719614898 /nfs/dbraw/zinc/61/48/98/719614898.db2.gz VNHFSKBSWQKTIE-UHFFFAOYSA-N 2 1 439.778 4.262 20 0 IIADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C4CC4)cc[nH+]3)CC2)c2ccccc21 ZINC001164687001 719671077 /nfs/dbraw/zinc/67/10/77/719671077.db2.gz ZOJIALMNRCDLMH-QFIPXVFZSA-N 2 1 432.612 4.052 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819912 720195132 /nfs/dbraw/zinc/19/51/32/720195132.db2.gz YXPIAXKPSKXPIH-BFLUCZKCSA-N 2 1 426.649 4.203 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819912 720195143 /nfs/dbraw/zinc/19/51/43/720195143.db2.gz YXPIAXKPSKXPIH-BFLUCZKCSA-N 2 1 426.649 4.203 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819912 720195150 /nfs/dbraw/zinc/19/51/50/720195150.db2.gz YXPIAXKPSKXPIH-BFLUCZKCSA-N 2 1 426.649 4.203 20 0 IIADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)CC[C@@H]21 ZINC001164835816 720552620 /nfs/dbraw/zinc/55/26/20/720552620.db2.gz HWPGYCUAMJKFMB-NWSQWKLXSA-N 2 1 433.604 4.121 20 0 IIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)CC[C@@H]21 ZINC001164835816 720552626 /nfs/dbraw/zinc/55/26/26/720552626.db2.gz HWPGYCUAMJKFMB-NWSQWKLXSA-N 2 1 433.604 4.121 20 0 IIADMP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4c([nH+]2)CCCC4)C3)c1 ZINC001164757461 720885024 /nfs/dbraw/zinc/88/50/24/720885024.db2.gz VBKFUVOTYSLZON-SHQCIBLASA-N 2 1 432.612 4.111 20 0 IIADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4c([nH+]2)CCCC4)C3)c1 ZINC001164757461 720885028 /nfs/dbraw/zinc/88/50/28/720885028.db2.gz VBKFUVOTYSLZON-SHQCIBLASA-N 2 1 432.612 4.111 20 0 IIADMP Cc1[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc2[nH]ccc21 ZINC001164755595 720903128 /nfs/dbraw/zinc/90/31/28/720903128.db2.gz MCLOENXNXOTBJV-ATIYNZHBSA-N 2 1 431.584 4.021 20 0 IIADMP CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000048285645 569588111 /nfs/dbraw/zinc/58/81/11/569588111.db2.gz XAMRXACHKMHXSP-UHFFFAOYSA-N 2 1 448.611 4.263 20 0 IIADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC5(CC([NH3+])C5)CC3)n2)CCC4)CC1 ZINC001164386949 718802228 /nfs/dbraw/zinc/80/22/28/718802228.db2.gz HTNHGUZFHLRFBP-UHFFFAOYSA-N 2 1 425.646 4.120 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1 ZINC001164617204 719034571 /nfs/dbraw/zinc/03/45/71/719034571.db2.gz JVVUMXWZGLCPRU-XMMPIXPASA-N 2 1 442.648 4.263 20 0 IIADMP [NH3+]C1([C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2CF)CC1 ZINC001164622601 719122383 /nfs/dbraw/zinc/12/23/83/719122383.db2.gz PMNFLEQKKUJDLY-SJLPKXTDSA-N 2 1 443.636 4.069 20 0 IIADMP [NH3+]C1([C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CF)CC1 ZINC001164622599 719122775 /nfs/dbraw/zinc/12/27/75/719122775.db2.gz PMNFLEQKKUJDLY-FUHWJXTLSA-N 2 1 443.636 4.069 20 0 IIADMP [NH3+]C1([C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CF)CC1 ZINC001164622603 719122806 /nfs/dbraw/zinc/12/28/06/719122806.db2.gz PMNFLEQKKUJDLY-WMZOPIPTSA-N 2 1 443.636 4.069 20 0 IIADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164963210 722056682 /nfs/dbraw/zinc/05/66/82/722056682.db2.gz IOUCLQMAYGHNQQ-UHFFFAOYSA-N 2 1 446.599 4.060 20 0 IIADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164963210 722056684 /nfs/dbraw/zinc/05/66/84/722056684.db2.gz IOUCLQMAYGHNQQ-UHFFFAOYSA-N 2 1 446.599 4.060 20 0 IIADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[NH+](Cc2ccncc2)C3)nc1 ZINC001164965242 722061955 /nfs/dbraw/zinc/06/19/55/722061955.db2.gz JUAHDYIKHVRKCX-RUZDIDTESA-N 2 1 449.643 4.143 20 0 IIADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164965242 722061957 /nfs/dbraw/zinc/06/19/57/722061957.db2.gz JUAHDYIKHVRKCX-RUZDIDTESA-N 2 1 449.643 4.143 20 0 IIADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164965242 722061960 /nfs/dbraw/zinc/06/19/60/722061960.db2.gz JUAHDYIKHVRKCX-RUZDIDTESA-N 2 1 449.643 4.143 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164972543 722153491 /nfs/dbraw/zinc/15/34/91/722153491.db2.gz IJBXTCSOUXGFJU-JIMJEQGWSA-N 2 1 449.643 4.141 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164972543 722153493 /nfs/dbraw/zinc/15/34/93/722153493.db2.gz IJBXTCSOUXGFJU-JIMJEQGWSA-N 2 1 449.643 4.141 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164972543 722153497 /nfs/dbraw/zinc/15/34/97/722153497.db2.gz IJBXTCSOUXGFJU-JIMJEQGWSA-N 2 1 449.643 4.141 20 0 IIADMP FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164413230 718880313 /nfs/dbraw/zinc/88/03/13/718880313.db2.gz DXVKJMDTTPAALQ-NRFANRHFSA-N 2 1 430.518 4.293 20 0 IIADMP C(c1nc2sc3c(c2c(N2CCCCC24CC[NH2+]CC4)n1)CCC3)[NH+]1CCCCC1 ZINC001164419411 718911133 /nfs/dbraw/zinc/91/11/33/718911133.db2.gz ADVSFCRTZFENBQ-UHFFFAOYSA-N 2 1 425.646 4.278 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)c2c1C ZINC001164423287 718945101 /nfs/dbraw/zinc/94/51/01/718945101.db2.gz GUTTZZLIFMCWGU-NHCUHLMSSA-N 2 1 433.625 4.370 20 0 IIADMP C[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@@H](C)C[N@@H+]1C ZINC001164643238 719229533 /nfs/dbraw/zinc/22/95/33/719229533.db2.gz YKGQTLMEKIQFCL-MOPGFXCFSA-N 2 1 441.019 4.285 20 0 IIADMP C[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)[C@@H](C)C[N@H+]1C ZINC001164643238 719229537 /nfs/dbraw/zinc/22/95/37/719229537.db2.gz YKGQTLMEKIQFCL-MOPGFXCFSA-N 2 1 441.019 4.285 20 0 IIADMP C(c1nc2sc3c(c2c(N2CC4(C2)CC[N@@H+](CC2CC2)C4)n1)CCC3)[NH+]1CCCCC1 ZINC001164768891 721297369 /nfs/dbraw/zinc/29/73/69/721297369.db2.gz JMMKHNYRLJECCI-UHFFFAOYSA-N 2 1 437.657 4.088 20 0 IIADMP C(c1nc2sc3c(c2c(N2CC4(C2)CC[N@H+](CC2CC2)C4)n1)CCC3)[NH+]1CCCCC1 ZINC001164768891 721297373 /nfs/dbraw/zinc/29/73/73/721297373.db2.gz JMMKHNYRLJECCI-UHFFFAOYSA-N 2 1 437.657 4.088 20 0 IIADMP Cc1cccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164778473 721329673 /nfs/dbraw/zinc/32/96/73/721329673.db2.gz XIOCVDZQXAVYRZ-URXFXBBRSA-N 2 1 426.992 4.298 20 0 IIADMP CCc1ccc(Oc2nc(Cl)ncc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164683282 719651920 /nfs/dbraw/zinc/65/19/20/719651920.db2.gz UZSBANIVFYOYDW-UHFFFAOYSA-N 2 1 440.979 4.156 20 0 IIADMP CCc1ccc(Oc2nc(Cl)ncc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164683282 719651927 /nfs/dbraw/zinc/65/19/27/719651927.db2.gz UZSBANIVFYOYDW-UHFFFAOYSA-N 2 1 440.979 4.156 20 0 IIADMP CC(C)Oc1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164758884 720894003 /nfs/dbraw/zinc/89/40/03/720894003.db2.gz ZYYGFWJGRABSQZ-ZEQKJWHPSA-N 2 1 436.600 4.019 20 0 IIADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)[C@@H]2C ZINC001164862366 720969084 /nfs/dbraw/zinc/96/90/84/720969084.db2.gz RZAUHJUBVNTEOO-LJQANCHMSA-N 2 1 429.572 4.098 20 0 IIADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)[C@@H]2C ZINC001164862366 720969086 /nfs/dbraw/zinc/96/90/86/720969086.db2.gz RZAUHJUBVNTEOO-LJQANCHMSA-N 2 1 429.572 4.098 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)nc1 ZINC001164770331 721041541 /nfs/dbraw/zinc/04/15/41/721041541.db2.gz XPRKANLJCYIMJT-HSZRJFAPSA-N 2 1 445.615 4.094 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164801455 721588162 /nfs/dbraw/zinc/58/81/62/721588162.db2.gz DWJQYPUIYUWHBR-AQCTUAEDSA-N 2 1 449.643 4.282 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164801455 721588165 /nfs/dbraw/zinc/58/81/65/721588165.db2.gz DWJQYPUIYUWHBR-AQCTUAEDSA-N 2 1 449.643 4.282 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164801455 721588167 /nfs/dbraw/zinc/58/81/67/721588167.db2.gz DWJQYPUIYUWHBR-AQCTUAEDSA-N 2 1 449.643 4.282 20 0 IIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001165027777 721815225 /nfs/dbraw/zinc/81/52/25/721815225.db2.gz VXTUILDEQGNKGD-AJSBUHFISA-N 2 1 440.035 4.463 20 0 IIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001165027777 721815226 /nfs/dbraw/zinc/81/52/26/721815226.db2.gz VXTUILDEQGNKGD-AJSBUHFISA-N 2 1 440.035 4.463 20 0 IIADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC(F)(C[NH3+])CC4)c23)C1 ZINC001164387575 718813349 /nfs/dbraw/zinc/81/33/49/718813349.db2.gz IKGNSZGDHBBVBT-INIZCTEOSA-N 2 1 431.625 4.069 20 0 IIADMP c1ccc2c(c1)C[NH2+][C@@H]1CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164423145 718945611 /nfs/dbraw/zinc/94/56/11/718945611.db2.gz FQCSRAIHGKWLRR-LEWJYISDSA-N 2 1 445.636 4.242 20 0 IIADMP [NH3+]C1([C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2CF)CC1 ZINC001164622596 719122522 /nfs/dbraw/zinc/12/25/22/719122522.db2.gz PMNFLEQKKUJDLY-AEFFLSMTSA-N 2 1 443.636 4.069 20 0 IIADMP CC(C)Oc1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164758882 720893717 /nfs/dbraw/zinc/89/37/17/720893717.db2.gz ZYYGFWJGRABSQZ-JYFHCDHNSA-N 2 1 436.600 4.019 20 0 IIADMP C(c1nc2sc3c(c2c(N2CC4(C2)CC[N@@H+](CC2CC2)C4)n1)CCCC3)[NH+]1CCCC1 ZINC001164769669 721298535 /nfs/dbraw/zinc/29/85/35/721298535.db2.gz LAFHNKJBKNOTJH-UHFFFAOYSA-N 2 1 437.657 4.088 20 0 IIADMP C(c1nc2sc3c(c2c(N2CC4(C2)CC[N@H+](CC2CC2)C4)n1)CCCC3)[NH+]1CCCC1 ZINC001164769669 721298539 /nfs/dbraw/zinc/29/85/39/721298539.db2.gz LAFHNKJBKNOTJH-UHFFFAOYSA-N 2 1 437.657 4.088 20 0 IIADMP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165025967 721814378 /nfs/dbraw/zinc/81/43/78/721814378.db2.gz ONNPJFKHQBDNDZ-WWPVKYPJSA-N 2 1 432.568 4.384 20 0 IIADMP C(c1nc2sc3c(c2c(N2CCC4(CCCC[NH2+]4)CC2)n1)CCC3)[NH+]1CCCCC1 ZINC001164388102 718803221 /nfs/dbraw/zinc/80/32/21/718803221.db2.gz SQZZEYDPZVKRIN-UHFFFAOYSA-N 2 1 425.646 4.278 20 0 IIADMP c1ccc2c(c1)C[NH2+][C@H]1CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164423147 718945919 /nfs/dbraw/zinc/94/59/19/718945919.db2.gz FQCSRAIHGKWLRR-RTWAWAEBSA-N 2 1 445.636 4.242 20 0 IIADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)[C@H]3C2)cc1 ZINC001164627188 719074356 /nfs/dbraw/zinc/07/43/56/719074356.db2.gz PQARLTXNQJFWSN-SQHAQQRYSA-N 2 1 439.607 4.136 20 0 IIADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)[C@H]3C2)cc1 ZINC001164627188 719074362 /nfs/dbraw/zinc/07/43/62/719074362.db2.gz PQARLTXNQJFWSN-SQHAQQRYSA-N 2 1 439.607 4.136 20 0 IIADMP c1ccc(C[NH+]2C[C@H]3CCCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)[C@H]3C2)cc1 ZINC001164627188 719074364 /nfs/dbraw/zinc/07/43/64/719074364.db2.gz PQARLTXNQJFWSN-SQHAQQRYSA-N 2 1 439.607 4.136 20 0 IIADMP c1ccc(C[NH+]2C[C@H]3CCCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)[C@H]3C2)cc1 ZINC001164627188 719074371 /nfs/dbraw/zinc/07/43/71/719074371.db2.gz PQARLTXNQJFWSN-SQHAQQRYSA-N 2 1 439.607 4.136 20 0 IIADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3cc(OC)ccc31)CC2 ZINC001164710656 720105612 /nfs/dbraw/zinc/10/56/12/720105612.db2.gz KODLAOQQOVJBGZ-JOCHJYFZSA-N 2 1 432.568 4.146 20 0 IIADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccc(OC)cc3[nH+]1)CC2 ZINC001164716915 720126359 /nfs/dbraw/zinc/12/63/59/720126359.db2.gz LLYMMSDYHPXQMT-JOCHJYFZSA-N 2 1 446.595 4.454 20 0 IIADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccc(OC)cc3[nH+]1)CC2 ZINC001164716915 720126364 /nfs/dbraw/zinc/12/63/64/720126364.db2.gz LLYMMSDYHPXQMT-JOCHJYFZSA-N 2 1 446.595 4.454 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164972546 722153382 /nfs/dbraw/zinc/15/33/82/722153382.db2.gz IJBXTCSOUXGFJU-NXCFDTQHSA-N 2 1 449.643 4.141 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164972546 722153383 /nfs/dbraw/zinc/15/33/83/722153383.db2.gz IJBXTCSOUXGFJU-NXCFDTQHSA-N 2 1 449.643 4.141 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164972546 722153384 /nfs/dbraw/zinc/15/33/84/722153384.db2.gz IJBXTCSOUXGFJU-NXCFDTQHSA-N 2 1 449.643 4.141 20 0 IIADMP [NH3+][C@]12C[C@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164418853 718896569 /nfs/dbraw/zinc/89/65/69/718896569.db2.gz FPWOQDGGVOXDFN-QRQCRPRQSA-N 2 1 425.627 4.333 20 0 IIADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164643244 719228845 /nfs/dbraw/zinc/22/88/45/719228845.db2.gz YKGQTLMEKIQFCL-RBUKOAKNSA-N 2 1 441.019 4.285 20 0 IIADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164643244 719228849 /nfs/dbraw/zinc/22/88/49/719228849.db2.gz YKGQTLMEKIQFCL-RBUKOAKNSA-N 2 1 441.019 4.285 20 0 IIADMP Cc1nc2scc(-c3cccs3)c2c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679644 719639467 /nfs/dbraw/zinc/63/94/67/719639467.db2.gz JWHBARWXRKAKGI-UHFFFAOYSA-N 2 1 438.626 4.400 20 0 IIADMP Cc1nc2scc(-c3cccs3)c2c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679644 719639474 /nfs/dbraw/zinc/63/94/74/719639474.db2.gz JWHBARWXRKAKGI-UHFFFAOYSA-N 2 1 438.626 4.400 20 0 IIADMP FC(F)(F)[C@@H]1N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164389734 718814436 /nfs/dbraw/zinc/81/44/36/718814436.db2.gz YNTONJPEYGYNAL-JOCHJYFZSA-N 2 1 430.518 4.151 20 0 IIADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001164815884 720129948 /nfs/dbraw/zinc/12/99/48/720129948.db2.gz WXJVEGXVXABWIF-YIXXDRMTSA-N 2 1 430.596 4.269 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819919 720194826 /nfs/dbraw/zinc/19/48/26/720194826.db2.gz YXPIAXKPSKXPIH-GSLIJJQTSA-N 2 1 426.649 4.203 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819919 720194828 /nfs/dbraw/zinc/19/48/28/720194828.db2.gz YXPIAXKPSKXPIH-GSLIJJQTSA-N 2 1 426.649 4.203 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164819919 720194833 /nfs/dbraw/zinc/19/48/33/720194833.db2.gz YXPIAXKPSKXPIH-GSLIJJQTSA-N 2 1 426.649 4.203 20 0 IIADMP [NH3+]C1CC2(C1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164386662 718802275 /nfs/dbraw/zinc/80/22/75/718802275.db2.gz CGPZWDBFUUDOIX-UHFFFAOYSA-N 2 1 425.646 4.264 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)c2c1CC[NH2+]C2 ZINC001164680554 719646601 /nfs/dbraw/zinc/64/66/01/719646601.db2.gz VWLDSZWVIQBLPG-UHFFFAOYSA-N 2 1 446.933 4.077 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)c2c1CC[NH2+]C2 ZINC001164680554 719646608 /nfs/dbraw/zinc/64/66/08/719646608.db2.gz VWLDSZWVIQBLPG-UHFFFAOYSA-N 2 1 446.933 4.077 20 0 IIADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)c3ccccc3[nH+]1)CC2 ZINC001164713034 720130578 /nfs/dbraw/zinc/13/05/78/720130578.db2.gz PDXHUYUAGZMLLG-OAQYLSRUSA-N 2 1 432.568 4.146 20 0 IIADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC)c3ccccc3[nH+]1)CC2 ZINC001164713034 720130585 /nfs/dbraw/zinc/13/05/85/720130585.db2.gz PDXHUYUAGZMLLG-OAQYLSRUSA-N 2 1 432.568 4.146 20 0 IIADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)c3ccccc3[nH+]1)CC2 ZINC001164713033 720130755 /nfs/dbraw/zinc/13/07/55/720130755.db2.gz PDXHUYUAGZMLLG-NRFANRHFSA-N 2 1 432.568 4.146 20 0 IIADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC)c3ccccc3[nH+]1)CC2 ZINC001164713033 720130761 /nfs/dbraw/zinc/13/07/61/720130761.db2.gz PDXHUYUAGZMLLG-NRFANRHFSA-N 2 1 432.568 4.146 20 0 IIADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)[C@H]2C ZINC001164857195 720970117 /nfs/dbraw/zinc/97/01/17/720970117.db2.gz CWAVLLYLTZLCKU-SFHVURJKSA-N 2 1 447.562 4.237 20 0 IIADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)[C@H]2C ZINC001164857195 720970125 /nfs/dbraw/zinc/97/01/25/720970125.db2.gz CWAVLLYLTZLCKU-SFHVURJKSA-N 2 1 447.562 4.237 20 0 IIADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CC([NH3+])C5)CC4)c23)C1 ZINC001164387315 718802196 /nfs/dbraw/zinc/80/21/96/718802196.db2.gz MJRCXFJHPAPUKE-INIZCTEOSA-N 2 1 425.646 4.120 20 0 IIADMP Cc1[nH+]cc2n1CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)C2 ZINC001164440698 718990556 /nfs/dbraw/zinc/99/05/56/718990556.db2.gz QPVWSJZHAFZDQA-UHFFFAOYSA-N 2 1 449.986 4.282 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2ccc3cc(OCc4ccccc4)ccc3n2)c2c1CC[NH2+]C2 ZINC001164682007 719627727 /nfs/dbraw/zinc/62/77/27/719627727.db2.gz KVOQZDRHQXQNKD-UHFFFAOYSA-N 2 1 441.579 4.485 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3cc(OCc4ccccc4)ccc3n2)c2c1CC[NH2+]C2 ZINC001164682007 719627731 /nfs/dbraw/zinc/62/77/31/719627731.db2.gz KVOQZDRHQXQNKD-UHFFFAOYSA-N 2 1 441.579 4.485 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)c2c1CC[NH2+]C2 ZINC001164679507 719641508 /nfs/dbraw/zinc/64/15/08/719641508.db2.gz DGUCSWYZMJQJQV-UHFFFAOYSA-N 2 1 446.933 4.077 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)c2c1CC[NH2+]C2 ZINC001164679507 719641523 /nfs/dbraw/zinc/64/15/23/719641523.db2.gz DGUCSWYZMJQJQV-UHFFFAOYSA-N 2 1 446.933 4.077 20 0 IIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC[C@@H]21 ZINC001164835159 720616324 /nfs/dbraw/zinc/61/63/24/720616324.db2.gz AEYGEQKPWQAGDL-CUYJMHBOSA-N 2 1 444.627 4.409 20 0 IIADMP Cc1cc2[nH]ccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164754037 720894088 /nfs/dbraw/zinc/89/40/88/720894088.db2.gz IKAMQZOFYXSXRO-ATIYNZHBSA-N 2 1 431.584 4.021 20 0 IIADMP Cc1[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc2[nH]ccc21 ZINC001164755600 720904397 /nfs/dbraw/zinc/90/43/97/720904397.db2.gz MCLOENXNXOTBJV-GJZUVCINSA-N 2 1 431.584 4.021 20 0 IIADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)[C@H]2C ZINC001164862361 720968542 /nfs/dbraw/zinc/96/85/42/720968542.db2.gz RZAUHJUBVNTEOO-IBGZPJMESA-N 2 1 429.572 4.098 20 0 IIADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)[C@H]2C ZINC001164862361 720968549 /nfs/dbraw/zinc/96/85/49/720968549.db2.gz RZAUHJUBVNTEOO-IBGZPJMESA-N 2 1 429.572 4.098 20 0 IIADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164786359 721473852 /nfs/dbraw/zinc/47/38/52/721473852.db2.gz AXTDZMNXWVKLFL-NRFANRHFSA-N 2 1 436.040 4.200 20 0 IIADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164953771 722018702 /nfs/dbraw/zinc/01/87/02/722018702.db2.gz ZDDMAOAZDKGYFU-UHFFFAOYSA-N 2 1 438.579 4.367 20 0 IIADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164953771 722018704 /nfs/dbraw/zinc/01/87/04/722018704.db2.gz ZDDMAOAZDKGYFU-UHFFFAOYSA-N 2 1 438.579 4.367 20 0 IIADMP c1ccc2c(c1)C[NH2+][C@H]1CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164423148 718945667 /nfs/dbraw/zinc/94/56/67/718945667.db2.gz FQCSRAIHGKWLRR-SFTDATJTSA-N 2 1 445.636 4.242 20 0 IIADMP Cc1sc2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1-c1ccccc1 ZINC001164679767 719641793 /nfs/dbraw/zinc/64/17/93/719641793.db2.gz MONVWMUMCSIVQG-UHFFFAOYSA-N 2 1 432.597 4.338 20 0 IIADMP Cc1sc2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1-c1ccccc1 ZINC001164679767 719641803 /nfs/dbraw/zinc/64/18/03/719641803.db2.gz MONVWMUMCSIVQG-UHFFFAOYSA-N 2 1 432.597 4.338 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)c2c1CC[NH2+]C2 ZINC001164679467 719645386 /nfs/dbraw/zinc/64/53/86/719645386.db2.gz BMPDULNOAAJKEZ-UHFFFAOYSA-N 2 1 446.933 4.077 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)c2c1CC[NH2+]C2 ZINC001164679467 719645392 /nfs/dbraw/zinc/64/53/92/719645392.db2.gz BMPDULNOAAJKEZ-UHFFFAOYSA-N 2 1 446.933 4.077 20 0 IIADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)[C@@H]2C ZINC001164857194 720968885 /nfs/dbraw/zinc/96/88/85/720968885.db2.gz CWAVLLYLTZLCKU-GOSISDBHSA-N 2 1 447.562 4.237 20 0 IIADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)[C@@H]2C ZINC001164857194 720968892 /nfs/dbraw/zinc/96/88/92/720968892.db2.gz CWAVLLYLTZLCKU-GOSISDBHSA-N 2 1 447.562 4.237 20 0 IIADMP Cc1ccc(C[NH+]2CCC3(CCN(c4cccc(N5CCC([NH3+])CC5)n4)CC3)CC2)cc1 ZINC001164759134 721045397 /nfs/dbraw/zinc/04/53/97/721045397.db2.gz GQDHEBMDGPUPCR-UHFFFAOYSA-N 2 1 433.644 4.200 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c2c1C ZINC001164423289 718945014 /nfs/dbraw/zinc/94/50/14/718945014.db2.gz GUTTZZLIFMCWGU-SFTDATJTSA-N 2 1 433.625 4.370 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164801460 721588076 /nfs/dbraw/zinc/58/80/76/721588076.db2.gz DWJQYPUIYUWHBR-DPRQWMOBSA-N 2 1 449.643 4.282 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164801460 721588078 /nfs/dbraw/zinc/58/80/78/721588078.db2.gz DWJQYPUIYUWHBR-DPRQWMOBSA-N 2 1 449.643 4.282 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164801460 721588079 /nfs/dbraw/zinc/58/80/79/721588079.db2.gz DWJQYPUIYUWHBR-DPRQWMOBSA-N 2 1 449.643 4.282 20 0 IIADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N(C)CC4CC[NH+](C)CC4)c23)C1 ZINC001165042675 721937223 /nfs/dbraw/zinc/93/72/23/721937223.db2.gz KGRUQXVTMICXHE-KRWDZBQOSA-N 2 1 427.662 4.190 20 0 IIADMP CC[NH+](CC)C1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC001165053319 722005694 /nfs/dbraw/zinc/00/56/94/722005694.db2.gz MLTDXXKCTXXCRM-UHFFFAOYSA-N 2 1 427.662 4.477 20 0 IIADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[NH+](Cc2ccncc2)C3)nc1 ZINC001164965245 722062060 /nfs/dbraw/zinc/06/20/60/722062060.db2.gz JUAHDYIKHVRKCX-VWLOTQADSA-N 2 1 449.643 4.143 20 0 IIADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164965245 722062062 /nfs/dbraw/zinc/06/20/62/722062062.db2.gz JUAHDYIKHVRKCX-VWLOTQADSA-N 2 1 449.643 4.143 20 0 IIADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164965245 722062064 /nfs/dbraw/zinc/06/20/64/722062064.db2.gz JUAHDYIKHVRKCX-VWLOTQADSA-N 2 1 449.643 4.143 20 0 IIADMP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164643241 719229036 /nfs/dbraw/zinc/22/90/36/719229036.db2.gz YKGQTLMEKIQFCL-OALUTQOASA-N 2 1 441.019 4.285 20 0 IIADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164643241 719229039 /nfs/dbraw/zinc/22/90/39/719229039.db2.gz YKGQTLMEKIQFCL-OALUTQOASA-N 2 1 441.019 4.285 20 0 IIADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C4CC4)cc[nH+]3)CC2)c2ccccc21 ZINC001164686998 719670821 /nfs/dbraw/zinc/67/08/21/719670821.db2.gz ZOJIALMNRCDLMH-JOCHJYFZSA-N 2 1 432.612 4.052 20 0 IIADMP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835818 720553349 /nfs/dbraw/zinc/55/33/49/720553349.db2.gz HWPGYCUAMJKFMB-UNWVZKJWSA-N 2 1 433.604 4.121 20 0 IIADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835818 720553353 /nfs/dbraw/zinc/55/33/53/720553353.db2.gz HWPGYCUAMJKFMB-UNWVZKJWSA-N 2 1 433.604 4.121 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164972539 722153406 /nfs/dbraw/zinc/15/34/06/722153406.db2.gz IJBXTCSOUXGFJU-CYXNTTPDSA-N 2 1 449.643 4.141 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164972539 722153407 /nfs/dbraw/zinc/15/34/07/722153407.db2.gz IJBXTCSOUXGFJU-CYXNTTPDSA-N 2 1 449.643 4.141 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164972539 722153409 /nfs/dbraw/zinc/15/34/09/722153409.db2.gz IJBXTCSOUXGFJU-CYXNTTPDSA-N 2 1 449.643 4.141 20 0 IIADMP [NH3+][C@@]12C[C@@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164418852 718896479 /nfs/dbraw/zinc/89/64/79/718896479.db2.gz FPWOQDGGVOXDFN-OYHNWAKOSA-N 2 1 425.627 4.333 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)c2c1C ZINC001164423288 718944745 /nfs/dbraw/zinc/94/47/45/718944745.db2.gz GUTTZZLIFMCWGU-RTWAWAEBSA-N 2 1 433.625 4.370 20 0 IIADMP c1ccc2c(c1)C[NH2+][C@H]1CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164423284 718945007 /nfs/dbraw/zinc/94/50/07/718945007.db2.gz GTVLHTGRSBJYQT-SFTDATJTSA-N 2 1 445.636 4.242 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1C ZINC001164624469 719047864 /nfs/dbraw/zinc/04/78/64/719047864.db2.gz OBLCTCBLJDNSHW-RLWLMLJZSA-N 2 1 447.652 4.487 20 0 IIADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ncnc3c2CC[NH+](Cc2ccccc2)C3)cc1 ZINC001164627181 719074070 /nfs/dbraw/zinc/07/40/70/719074070.db2.gz PQARLTXNQJFWSN-IGKIAQTJSA-N 2 1 439.607 4.136 20 0 IIADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ncnc3c2CC[NH+](Cc2ccccc2)C3)cc1 ZINC001164627181 719074079 /nfs/dbraw/zinc/07/40/79/719074079.db2.gz PQARLTXNQJFWSN-IGKIAQTJSA-N 2 1 439.607 4.136 20 0 IIADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)CCCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)cc1 ZINC001164627181 719074084 /nfs/dbraw/zinc/07/40/84/719074084.db2.gz PQARLTXNQJFWSN-IGKIAQTJSA-N 2 1 439.607 4.136 20 0 IIADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)CCCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001164627181 719074088 /nfs/dbraw/zinc/07/40/88/719074088.db2.gz PQARLTXNQJFWSN-IGKIAQTJSA-N 2 1 439.607 4.136 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)nc1 ZINC001164691631 719761114 /nfs/dbraw/zinc/76/11/14/719761114.db2.gz PIWJODSABMOERR-NIRIFSCTSA-N 2 1 439.579 4.212 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)nc1 ZINC001164958748 722051207 /nfs/dbraw/zinc/05/12/07/722051207.db2.gz GBPMFYYCFWPIQM-ICLZECGLSA-N 2 1 435.616 4.319 20 0 IIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)n2)CC1 ZINC001164441060 718986120 /nfs/dbraw/zinc/98/61/20/718986120.db2.gz VEZAVMWTCBMEOS-QVDMIQRCSA-N 2 1 425.627 4.045 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1C ZINC001164624463 719047875 /nfs/dbraw/zinc/04/78/75/719047875.db2.gz OBLCTCBLJDNSHW-QFQXNSOFSA-N 2 1 447.652 4.487 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccccc3F)nc3ccc(F)cc32)c2c1CC[NH2+]C2 ZINC001164683185 719612632 /nfs/dbraw/zinc/61/26/32/719612632.db2.gz HQPQIJAGYRWACD-UHFFFAOYSA-N 2 1 448.521 4.247 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccccc3F)nc3ccc(F)cc32)c2c1CC[NH2+]C2 ZINC001164683185 719612637 /nfs/dbraw/zinc/61/26/37/719612637.db2.gz HQPQIJAGYRWACD-UHFFFAOYSA-N 2 1 448.521 4.247 20 0 IIADMP Cc1ccc(-c2nc3ccccc3c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)cc1 ZINC001164681254 719629288 /nfs/dbraw/zinc/62/92/88/719629288.db2.gz FJNJVMHPXYJGBM-UHFFFAOYSA-N 2 1 426.568 4.277 20 0 IIADMP Cc1ccc(-c2nc3ccccc3c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)cc1 ZINC001164681254 719629297 /nfs/dbraw/zinc/62/92/97/719629297.db2.gz FJNJVMHPXYJGBM-UHFFFAOYSA-N 2 1 426.568 4.277 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1 ZINC001164691630 719759711 /nfs/dbraw/zinc/75/97/11/719759711.db2.gz PIWJODSABMOERR-LFAGZIFBSA-N 2 1 439.579 4.212 20 0 IIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC[C@@H]21 ZINC001164835161 720616173 /nfs/dbraw/zinc/61/61/73/720616173.db2.gz AEYGEQKPWQAGDL-LSQMVHIFSA-N 2 1 444.627 4.409 20 0 IIADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835162 720616873 /nfs/dbraw/zinc/61/68/73/720616873.db2.gz AEYGEQKPWQAGDL-SONWIMMPSA-N 2 1 444.627 4.409 20 0 IIADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164775341 721300681 /nfs/dbraw/zinc/30/06/81/721300681.db2.gz VXDLSJNDCOPCFK-UHFFFAOYSA-N 2 1 433.625 4.342 20 0 IIADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)n1 ZINC001164775341 721300685 /nfs/dbraw/zinc/30/06/85/721300685.db2.gz VXDLSJNDCOPCFK-UHFFFAOYSA-N 2 1 433.625 4.342 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164801466 721588325 /nfs/dbraw/zinc/58/83/25/721588325.db2.gz DWJQYPUIYUWHBR-HIQYAUPDSA-N 2 1 449.643 4.282 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164801466 721588327 /nfs/dbraw/zinc/58/83/27/721588327.db2.gz DWJQYPUIYUWHBR-HIQYAUPDSA-N 2 1 449.643 4.282 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164801466 721588328 /nfs/dbraw/zinc/58/83/28/721588328.db2.gz DWJQYPUIYUWHBR-HIQYAUPDSA-N 2 1 449.643 4.282 20 0 IIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001165027787 721815297 /nfs/dbraw/zinc/81/52/97/721815297.db2.gz VXTUILDEQGNKGD-WTIAFYNJSA-N 2 1 440.035 4.463 20 0 IIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001165027787 721815300 /nfs/dbraw/zinc/81/53/00/721815300.db2.gz VXTUILDEQGNKGD-WTIAFYNJSA-N 2 1 440.035 4.463 20 0 IIADMP C(c1nc2sc3c(c2c(N2CCC4(CCCC[NH2+]4)CC2)n1)CCCC3)[NH+]1CCCC1 ZINC001164386907 718803224 /nfs/dbraw/zinc/80/32/24/718803224.db2.gz HBLUHKLAAZJICC-UHFFFAOYSA-N 2 1 425.646 4.278 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)c2c1CC[NH2+]C2 ZINC001164680136 719649560 /nfs/dbraw/zinc/64/95/60/719649560.db2.gz PKNJGXIUMIFCJX-UHFFFAOYSA-N 2 1 449.361 4.261 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)c2c1CC[NH2+]C2 ZINC001164680136 719649566 /nfs/dbraw/zinc/64/95/66/719649566.db2.gz PKNJGXIUMIFCJX-UHFFFAOYSA-N 2 1 449.361 4.261 20 0 IIADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)ccc3c[nH+]1)CC2 ZINC001164711631 720131385 /nfs/dbraw/zinc/13/13/85/720131385.db2.gz HMPLFZHHNABKEE-HSZRJFAPSA-N 2 1 432.568 4.146 20 0 IIADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)ccc3c[nH+]1)CC2 ZINC001164711631 720131393 /nfs/dbraw/zinc/13/13/93/720131393.db2.gz HMPLFZHHNABKEE-HSZRJFAPSA-N 2 1 432.568 4.146 20 0 IIADMP CC(C)(C)N(c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734072 720544631 /nfs/dbraw/zinc/54/46/31/720544631.db2.gz HFZBORZJCIALDD-QHCPKHFHSA-N 2 1 434.628 4.156 20 0 IIADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164786376 721473747 /nfs/dbraw/zinc/47/37/47/721473747.db2.gz AXTDZMNXWVKLFL-OAQYLSRUSA-N 2 1 436.040 4.200 20 0 IIADMP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165025964 721814443 /nfs/dbraw/zinc/81/44/43/721814443.db2.gz ONNPJFKHQBDNDZ-AJSBUHFISA-N 2 1 432.568 4.384 20 0 IIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4C[C@@]4([NH3+])C3)n2)CC1 ZINC001164415801 718888368 /nfs/dbraw/zinc/88/83/68/718888368.db2.gz BNLNNAWUACJTMV-IVZQSRNASA-N 2 1 425.627 4.189 20 0 IIADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC(C5C[NH2+]C5)CC4)c23)C1 ZINC001164615840 719037426 /nfs/dbraw/zinc/03/74/26/719037426.db2.gz PZNNCRSGAJJCMU-KRWDZBQOSA-N 2 1 439.673 4.238 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2c1C ZINC001164624450 719047600 /nfs/dbraw/zinc/04/76/00/719047600.db2.gz OBLCTCBLJDNSHW-HFZDXXHNSA-N 2 1 447.652 4.487 20 0 IIADMP Cc1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164679549 719650277 /nfs/dbraw/zinc/65/02/77/719650277.db2.gz GFNYZVFDTMHJCS-UHFFFAOYSA-N 2 1 439.007 4.009 20 0 IIADMP Cc1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164679549 719650282 /nfs/dbraw/zinc/65/02/82/719650282.db2.gz GFNYZVFDTMHJCS-UHFFFAOYSA-N 2 1 439.007 4.009 20 0 IIADMP CCc1ccccc1Oc1nc(Cl)ncc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679967 719651661 /nfs/dbraw/zinc/65/16/61/719651661.db2.gz BNILDMCNPOPQET-UHFFFAOYSA-N 2 1 440.979 4.156 20 0 IIADMP CCc1ccccc1Oc1nc(Cl)ncc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679967 719651667 /nfs/dbraw/zinc/65/16/67/719651667.db2.gz BNILDMCNPOPQET-UHFFFAOYSA-N 2 1 440.979 4.156 20 0 IIADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955884 722018596 /nfs/dbraw/zinc/01/85/96/722018596.db2.gz QYRAISDMDQJGGA-UHFFFAOYSA-N 2 1 426.008 4.218 20 0 IIADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955884 722018599 /nfs/dbraw/zinc/01/85/99/722018599.db2.gz QYRAISDMDQJGGA-UHFFFAOYSA-N 2 1 426.008 4.218 20 0 IIADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4C[C@]4([NH3+])C3)n2)CC1 ZINC001164415802 718888420 /nfs/dbraw/zinc/88/84/20/718888420.db2.gz BNLNNAWUACJTMV-NYHFZMIOSA-N 2 1 425.627 4.189 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccc(Cl)cc2)c2c1CC[NH2+]C2 ZINC001164684199 719649519 /nfs/dbraw/zinc/64/95/19/719649519.db2.gz WKXYSULVYBMVPS-UHFFFAOYSA-N 2 1 447.370 4.247 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccc(Cl)cc2)c2c1CC[NH2+]C2 ZINC001164684199 719649525 /nfs/dbraw/zinc/64/95/25/719649525.db2.gz WKXYSULVYBMVPS-UHFFFAOYSA-N 2 1 447.370 4.247 20 0 IIADMP CC(C)(C)N(c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164734071 720544788 /nfs/dbraw/zinc/54/47/88/720544788.db2.gz HFZBORZJCIALDD-HSZRJFAPSA-N 2 1 434.628 4.156 20 0 IIADMP Cc1cc2[nH]ccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164754039 720893934 /nfs/dbraw/zinc/89/39/34/720893934.db2.gz IKAMQZOFYXSXRO-BKMJKUGQSA-N 2 1 431.584 4.021 20 0 IIADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)[C@H]2C ZINC001164860716 720970461 /nfs/dbraw/zinc/97/04/61/720970461.db2.gz PPWKNIFQSUKODQ-SFHVURJKSA-N 2 1 447.562 4.237 20 0 IIADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)[C@H]2C ZINC001164860716 720970471 /nfs/dbraw/zinc/97/04/71/720970471.db2.gz PPWKNIFQSUKODQ-SFHVURJKSA-N 2 1 447.562 4.237 20 0 IIADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N(C)CC4CC[NH+](C)CC4)c23)C1 ZINC001165042679 721937049 /nfs/dbraw/zinc/93/70/49/721937049.db2.gz KGRUQXVTMICXHE-QGZVFWFLSA-N 2 1 427.662 4.190 20 0 IIADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4c([nH+]3)CCCC4)CC2)c2ccccc21 ZINC001164681120 719665595 /nfs/dbraw/zinc/66/55/95/719665595.db2.gz JWXQMSDXMCBUEQ-JOCHJYFZSA-N 2 1 446.639 4.054 20 0 IIADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001164815882 720129238 /nfs/dbraw/zinc/12/92/38/720129238.db2.gz WXJVEGXVXABWIF-KCWPFWIISA-N 2 1 430.596 4.269 20 0 IIADMP CC(C)Oc1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164758880 720894043 /nfs/dbraw/zinc/89/40/43/720894043.db2.gz ZYYGFWJGRABSQZ-BVAGGSTKSA-N 2 1 436.600 4.019 20 0 IIADMP COc1cc2c[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cc2cc1OC ZINC001165027522 721825836 /nfs/dbraw/zinc/82/58/36/721825836.db2.gz SMVXCBFXXMIRLX-CDNPAEQRSA-N 2 1 432.568 4.384 20 0 IIADMP C(c1nc2sc3c(c2c(N2CCCCC24CC[NH2+]CC4)n1)CCCC3)[NH+]1CCCC1 ZINC001164421895 718912058 /nfs/dbraw/zinc/91/20/58/718912058.db2.gz VNGZQSKIEFQKDG-UHFFFAOYSA-N 2 1 425.646 4.278 20 0 IIADMP c1ccc2c(c1)C[NH2+][C@H]1CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164423283 718945011 /nfs/dbraw/zinc/94/50/11/718945011.db2.gz GTVLHTGRSBJYQT-RTWAWAEBSA-N 2 1 445.636 4.242 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)c2c1CC[NH2+]C2 ZINC001164680165 719636150 /nfs/dbraw/zinc/63/61/50/719636150.db2.gz QVCLWRHYWUREKF-UHFFFAOYSA-N 2 1 438.737 4.322 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)c2c1CC[NH2+]C2 ZINC001164680165 719636164 /nfs/dbraw/zinc/63/61/64/719636164.db2.gz QVCLWRHYWUREKF-UHFFFAOYSA-N 2 1 438.737 4.322 20 0 IIADMP Cc1ccc(-c2nc3ccccc3c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)s1 ZINC001164679536 719643973 /nfs/dbraw/zinc/64/39/73/719643973.db2.gz FTBYKTBTTVSCTL-UHFFFAOYSA-N 2 1 432.597 4.338 20 0 IIADMP Cc1ccc(-c2nc3ccccc3c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)s1 ZINC001164679536 719643979 /nfs/dbraw/zinc/64/39/79/719643979.db2.gz FTBYKTBTTVSCTL-UHFFFAOYSA-N 2 1 432.597 4.338 20 0 IIADMP Cc1[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc2[nH]ccc21 ZINC001164755602 720903291 /nfs/dbraw/zinc/90/32/91/720903291.db2.gz MCLOENXNXOTBJV-NVQXNPDNSA-N 2 1 431.584 4.021 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]([NH+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164801470 721588717 /nfs/dbraw/zinc/58/87/17/721588717.db2.gz DWJQYPUIYUWHBR-QUUPDEESSA-N 2 1 449.643 4.282 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164801470 721588719 /nfs/dbraw/zinc/58/87/19/721588719.db2.gz DWJQYPUIYUWHBR-QUUPDEESSA-N 2 1 449.643 4.282 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164801470 721588720 /nfs/dbraw/zinc/58/87/20/721588720.db2.gz DWJQYPUIYUWHBR-QUUPDEESSA-N 2 1 449.643 4.282 20 0 IIADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccc(OC)cc3[nH+]1)CC2 ZINC001164716917 720127292 /nfs/dbraw/zinc/12/72/92/720127292.db2.gz LLYMMSDYHPXQMT-QFIPXVFZSA-N 2 1 446.595 4.454 20 0 IIADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccc(OC)cc3[nH+]1)CC2 ZINC001164716917 720127295 /nfs/dbraw/zinc/12/72/95/720127295.db2.gz LLYMMSDYHPXQMT-QFIPXVFZSA-N 2 1 446.595 4.454 20 0 IIADMP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc4c([nH+]2)CCCC4)C3)c1 ZINC001164757462 720885144 /nfs/dbraw/zinc/88/51/44/720885144.db2.gz VBKFUVOTYSLZON-SQHAQQRYSA-N 2 1 432.612 4.111 20 0 IIADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc4c([nH+]2)CCCC4)C3)c1 ZINC001164757462 720885148 /nfs/dbraw/zinc/88/51/48/720885148.db2.gz VBKFUVOTYSLZON-SQHAQQRYSA-N 2 1 432.612 4.111 20 0 IIADMP COc1cc2c[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cc2cc1OC ZINC001165027527 721825897 /nfs/dbraw/zinc/82/58/97/721825897.db2.gz SMVXCBFXXMIRLX-TZYHBYERSA-N 2 1 432.568 4.384 20 0 IIADMP C[NH+](C)CC1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165044977 721948791 /nfs/dbraw/zinc/94/87/91/721948791.db2.gz LDEZNHCVGYWXLQ-UHFFFAOYSA-N 2 1 427.662 4.334 20 0 IIADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CC([NH3+])C5)CC4)c23)C1 ZINC001164387701 718802296 /nfs/dbraw/zinc/80/22/96/718802296.db2.gz MJRCXFJHPAPUKE-MRXNPFEDSA-N 2 1 425.646 4.120 20 0 IIADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC(F)(C[NH3+])CC4)c23)C1 ZINC001164387576 718813281 /nfs/dbraw/zinc/81/32/81/718813281.db2.gz IKGNSZGDHBBVBT-MRXNPFEDSA-N 2 1 431.625 4.069 20 0 IIADMP c1ccc2c(c1)C[NH2+][C@@H]1CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164423281 718944921 /nfs/dbraw/zinc/94/49/21/718944921.db2.gz GTVLHTGRSBJYQT-LEWJYISDSA-N 2 1 445.636 4.242 20 0 IIADMP Cc1cc2[nH]ccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164754041 720893787 /nfs/dbraw/zinc/89/37/87/720893787.db2.gz IKAMQZOFYXSXRO-GJZUVCINSA-N 2 1 431.584 4.021 20 0 IIADMP Cc1cccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778474 721329691 /nfs/dbraw/zinc/32/96/91/721329691.db2.gz XIOCVDZQXAVYRZ-XUZZJYLKSA-N 2 1 426.992 4.298 20 0 IIADMP COc1cc2c[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cc2cc1OC ZINC001165027525 721825876 /nfs/dbraw/zinc/82/58/76/721825876.db2.gz SMVXCBFXXMIRLX-OFAXGOBFSA-N 2 1 432.568 4.384 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c2c1C ZINC001164423286 718944933 /nfs/dbraw/zinc/94/49/33/718944933.db2.gz GUTTZZLIFMCWGU-LEWJYISDSA-N 2 1 433.625 4.370 20 0 IIADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC(C5C[NH2+]C5)CC4)c23)C1 ZINC001164615841 719037303 /nfs/dbraw/zinc/03/73/03/719037303.db2.gz PZNNCRSGAJJCMU-QGZVFWFLSA-N 2 1 439.673 4.238 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679544 719645069 /nfs/dbraw/zinc/64/50/69/719645069.db2.gz GARFVMMJYZPJGD-UHFFFAOYSA-N 2 1 438.579 4.482 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679544 719645074 /nfs/dbraw/zinc/64/50/74/719645074.db2.gz GARFVMMJYZPJGD-UHFFFAOYSA-N 2 1 438.579 4.482 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2cccc(Cl)c2)c2c1CC[NH2+]C2 ZINC001164681362 719650994 /nfs/dbraw/zinc/65/09/94/719650994.db2.gz MJVATQIZLXGEAS-UHFFFAOYSA-N 2 1 447.370 4.247 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2cccc(Cl)c2)c2c1CC[NH2+]C2 ZINC001164681362 719651001 /nfs/dbraw/zinc/65/10/01/719651001.db2.gz MJVATQIZLXGEAS-UHFFFAOYSA-N 2 1 447.370 4.247 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164725730 720439473 /nfs/dbraw/zinc/43/94/73/720439473.db2.gz AWCHEQHXZBRGCF-SFTDATJTSA-N 2 1 448.640 4.152 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164725730 720439480 /nfs/dbraw/zinc/43/94/80/720439480.db2.gz AWCHEQHXZBRGCF-SFTDATJTSA-N 2 1 448.640 4.152 20 0 IIADMP Cc1[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc2[nH]ccc21 ZINC001164755597 720904563 /nfs/dbraw/zinc/90/45/63/720904563.db2.gz MCLOENXNXOTBJV-BKMJKUGQSA-N 2 1 431.584 4.021 20 0 IIADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)[C@@H]2C ZINC001164857762 720946424 /nfs/dbraw/zinc/94/64/24/720946424.db2.gz HBWUJOMZDZTUGL-OAQYLSRUSA-N 2 1 444.627 4.258 20 0 IIADMP CC(C)[NH+](C)Cc1cnc2n1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)[C@@H]2C ZINC001164857762 720946432 /nfs/dbraw/zinc/94/64/32/720946432.db2.gz HBWUJOMZDZTUGL-OAQYLSRUSA-N 2 1 444.627 4.258 20 0 IIADMP CC(C)[NH+](C)Cc1cnc2n1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)[C@@H]2C ZINC001164857762 720946443 /nfs/dbraw/zinc/94/64/43/720946443.db2.gz HBWUJOMZDZTUGL-OAQYLSRUSA-N 2 1 444.627 4.258 20 0 IIADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)nc1 ZINC001164770336 721041478 /nfs/dbraw/zinc/04/14/78/721041478.db2.gz XPRKANLJCYIMJT-QHCPKHFHSA-N 2 1 445.615 4.094 20 0 IIADMP Cc1cccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164778471 721329574 /nfs/dbraw/zinc/32/95/74/721329574.db2.gz XIOCVDZQXAVYRZ-QPPBQGQZSA-N 2 1 426.992 4.298 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c2c1C ZINC001164624458 719047683 /nfs/dbraw/zinc/04/76/83/719047683.db2.gz OBLCTCBLJDNSHW-LVXARBLLSA-N 2 1 447.652 4.487 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819921 720194697 /nfs/dbraw/zinc/19/46/97/720194697.db2.gz YXPIAXKPSKXPIH-MZKUHISZSA-N 2 1 426.649 4.203 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819921 720194713 /nfs/dbraw/zinc/19/47/13/720194713.db2.gz YXPIAXKPSKXPIH-MZKUHISZSA-N 2 1 426.649 4.203 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819921 720194718 /nfs/dbraw/zinc/19/47/18/720194718.db2.gz YXPIAXKPSKXPIH-MZKUHISZSA-N 2 1 426.649 4.203 20 0 IIADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)CC[C@@H]21 ZINC001164835817 720552167 /nfs/dbraw/zinc/55/21/67/720552167.db2.gz HWPGYCUAMJKFMB-RRPUWOKSSA-N 2 1 433.604 4.121 20 0 IIADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)CC[C@@H]21 ZINC001164835817 720552173 /nfs/dbraw/zinc/55/21/73/720552173.db2.gz HWPGYCUAMJKFMB-RRPUWOKSSA-N 2 1 433.604 4.121 20 0 IIADMP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835815 720552849 /nfs/dbraw/zinc/55/28/49/720552849.db2.gz HWPGYCUAMJKFMB-IEIRFRATSA-N 2 1 433.604 4.121 20 0 IIADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4C3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835815 720552854 /nfs/dbraw/zinc/55/28/54/720552854.db2.gz HWPGYCUAMJKFMB-IEIRFRATSA-N 2 1 433.604 4.121 20 0 IIADMP CC(C)Oc1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164758883 720893916 /nfs/dbraw/zinc/89/39/16/720893916.db2.gz ZYYGFWJGRABSQZ-OZXSUGGESA-N 2 1 436.600 4.019 20 0 IIADMP Cc1cccc(N(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778475 721329315 /nfs/dbraw/zinc/32/93/15/721329315.db2.gz XIOCVDZQXAVYRZ-ZJSXRUAMSA-N 2 1 426.992 4.298 20 0 IIADMP COc1cc2c[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)cc2cc1OC ZINC001164940614 721931904 /nfs/dbraw/zinc/93/19/04/721931904.db2.gz URPSVQWRLJEVQU-UHFFFAOYSA-N 2 1 447.579 4.432 20 0 IIADMP CC[NH+](CC)C1CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165053997 722005556 /nfs/dbraw/zinc/00/55/56/722005556.db2.gz WOFMVTFSIVSBDT-UHFFFAOYSA-N 2 1 427.662 4.477 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)nc1 ZINC001164958753 722051373 /nfs/dbraw/zinc/05/13/73/722051373.db2.gz GBPMFYYCFWPIQM-NZCWTCFWSA-N 2 1 435.616 4.319 20 0 IIADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)[C@@H]3C2)cc1 ZINC001164627185 719074231 /nfs/dbraw/zinc/07/42/31/719074231.db2.gz PQARLTXNQJFWSN-SHQCIBLASA-N 2 1 439.607 4.136 20 0 IIADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)[C@@H]3C2)cc1 ZINC001164627185 719074235 /nfs/dbraw/zinc/07/42/35/719074235.db2.gz PQARLTXNQJFWSN-SHQCIBLASA-N 2 1 439.607 4.136 20 0 IIADMP c1ccc(C[NH+]2C[C@H]3CCCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)[C@@H]3C2)cc1 ZINC001164627185 719074240 /nfs/dbraw/zinc/07/42/40/719074240.db2.gz PQARLTXNQJFWSN-SHQCIBLASA-N 2 1 439.607 4.136 20 0 IIADMP c1ccc(C[NH+]2C[C@H]3CCCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)[C@@H]3C2)cc1 ZINC001164627185 719074244 /nfs/dbraw/zinc/07/42/44/719074244.db2.gz PQARLTXNQJFWSN-SHQCIBLASA-N 2 1 439.607 4.136 20 0 IIADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164643247 719228432 /nfs/dbraw/zinc/22/84/32/719228432.db2.gz YKGQTLMEKIQFCL-RTBURBONSA-N 2 1 441.019 4.285 20 0 IIADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164643247 719228441 /nfs/dbraw/zinc/22/84/41/719228441.db2.gz YKGQTLMEKIQFCL-RTBURBONSA-N 2 1 441.019 4.285 20 0 IIADMP COc1ccc2c(Cl)cc(Cl)nc2c1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681287 719629770 /nfs/dbraw/zinc/62/97/70/719629770.db2.gz GABHGNYHRAQQRT-UHFFFAOYSA-N 2 1 434.371 4.222 20 0 IIADMP COc1ccc2c(Cl)cc(Cl)nc2c1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681287 719629779 /nfs/dbraw/zinc/62/97/79/719629779.db2.gz GABHGNYHRAQQRT-UHFFFAOYSA-N 2 1 434.371 4.222 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccc(F)cc3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164680608 719637686 /nfs/dbraw/zinc/63/76/86/719637686.db2.gz YFMJUPOCSJSVDM-UHFFFAOYSA-N 2 1 430.531 4.108 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccc(F)cc3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164680608 719637706 /nfs/dbraw/zinc/63/77/06/719637706.db2.gz YFMJUPOCSJSVDM-UHFFFAOYSA-N 2 1 430.531 4.108 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)c2c1CC[NH2+]C2 ZINC001164679735 719646682 /nfs/dbraw/zinc/64/66/82/719646682.db2.gz KYLNRRCGJOMGPK-UHFFFAOYSA-N 2 1 437.844 4.034 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)c2c1CC[NH2+]C2 ZINC001164679735 719646690 /nfs/dbraw/zinc/64/66/90/719646690.db2.gz KYLNRRCGJOMGPK-UHFFFAOYSA-N 2 1 437.844 4.034 20 0 IIADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164714627 720158364 /nfs/dbraw/zinc/15/83/64/720158364.db2.gz QWXBSGVJJVMBMX-OAQYLSRUSA-N 2 1 429.008 4.368 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164725728 720440741 /nfs/dbraw/zinc/44/07/41/720440741.db2.gz AWCHEQHXZBRGCF-RTWAWAEBSA-N 2 1 448.640 4.152 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164725728 720440747 /nfs/dbraw/zinc/44/07/47/720440747.db2.gz AWCHEQHXZBRGCF-RTWAWAEBSA-N 2 1 448.640 4.152 20 0 IIADMP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc4c([nH+]2)CCCC4)C3)c1 ZINC001164757459 720885048 /nfs/dbraw/zinc/88/50/48/720885048.db2.gz VBKFUVOTYSLZON-IGKIAQTJSA-N 2 1 432.612 4.111 20 0 IIADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc4c([nH+]2)CCCC4)C3)c1 ZINC001164757459 720885049 /nfs/dbraw/zinc/88/50/49/720885049.db2.gz VBKFUVOTYSLZON-IGKIAQTJSA-N 2 1 432.612 4.111 20 0 IIADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)[C@H]2C ZINC001164857756 720945651 /nfs/dbraw/zinc/94/56/51/720945651.db2.gz HBWUJOMZDZTUGL-NRFANRHFSA-N 2 1 444.627 4.258 20 0 IIADMP CC(C)[NH+](C)Cc1cnc2n1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)[C@H]2C ZINC001164857756 720945656 /nfs/dbraw/zinc/94/56/56/720945656.db2.gz HBWUJOMZDZTUGL-NRFANRHFSA-N 2 1 444.627 4.258 20 0 IIADMP CC(C)[NH+](C)Cc1cnc2n1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)[C@H]2C ZINC001164857756 720945658 /nfs/dbraw/zinc/94/56/58/720945658.db2.gz HBWUJOMZDZTUGL-NRFANRHFSA-N 2 1 444.627 4.258 20 0 IIADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164758821 721044839 /nfs/dbraw/zinc/04/48/39/721044839.db2.gz CFWYNCABMDYFKH-UHFFFAOYSA-N 2 1 433.600 4.269 20 0 IIADMP COc1cc2cc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2cc1OC ZINC001164939323 721927490 /nfs/dbraw/zinc/92/74/90/721927490.db2.gz ILXFEJYYYRWLTI-UHFFFAOYSA-N 2 1 447.579 4.432 20 0 IIADMP Cc1ccc2nc(-c3ccccc3F)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164682619 719626562 /nfs/dbraw/zinc/62/65/62/719626562.db2.gz OSZMKIBGQRVUNI-UHFFFAOYSA-N 2 1 444.558 4.416 20 0 IIADMP Cc1ccc2nc(-c3ccccc3F)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164682619 719626569 /nfs/dbraw/zinc/62/65/69/719626569.db2.gz OSZMKIBGQRVUNI-UHFFFAOYSA-N 2 1 444.558 4.416 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc3c2CCCCC3)c2c1CC[NH2+]C2 ZINC001164680701 719654088 /nfs/dbraw/zinc/65/40/88/719654088.db2.gz HYXIDBVQBACRPM-UHFFFAOYSA-N 2 1 437.966 4.284 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc3c2CCCCC3)c2c1CC[NH2+]C2 ZINC001164680701 719654094 /nfs/dbraw/zinc/65/40/94/719654094.db2.gz HYXIDBVQBACRPM-UHFFFAOYSA-N 2 1 437.966 4.284 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)c2c1CC[NH2+]C2 ZINC001164681377 719654548 /nfs/dbraw/zinc/65/45/48/719654548.db2.gz NDGDKGRDRKIULD-UHFFFAOYSA-N 2 1 435.906 4.275 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)c2c1CC[NH2+]C2 ZINC001164681377 719654554 /nfs/dbraw/zinc/65/45/54/719654554.db2.gz NDGDKGRDRKIULD-UHFFFAOYSA-N 2 1 435.906 4.275 20 0 IIADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164714621 720157694 /nfs/dbraw/zinc/15/76/94/720157694.db2.gz QWXBSGVJJVMBMX-NRFANRHFSA-N 2 1 429.008 4.368 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164725723 720439789 /nfs/dbraw/zinc/43/97/89/720439789.db2.gz AWCHEQHXZBRGCF-LEWJYISDSA-N 2 1 448.640 4.152 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164725723 720439804 /nfs/dbraw/zinc/43/98/04/720439804.db2.gz AWCHEQHXZBRGCF-LEWJYISDSA-N 2 1 448.640 4.152 20 0 IIADMP c1ccc2c(c1)C[NH2+][C@@H]1CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164423282 718944762 /nfs/dbraw/zinc/94/47/62/718944762.db2.gz GTVLHTGRSBJYQT-NHCUHLMSSA-N 2 1 445.636 4.242 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)c2c1CC[NH2+]C2 ZINC001164681831 719614364 /nfs/dbraw/zinc/61/43/64/719614364.db2.gz AYOCYSUMYPRNRN-UHFFFAOYSA-N 2 1 446.933 4.077 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)c2c1CC[NH2+]C2 ZINC001164681831 719614374 /nfs/dbraw/zinc/61/43/74/719614374.db2.gz AYOCYSUMYPRNRN-UHFFFAOYSA-N 2 1 446.933 4.077 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)nc1 ZINC001164691632 719761452 /nfs/dbraw/zinc/76/14/52/719761452.db2.gz PIWJODSABMOERR-QFZWGZQFSA-N 2 1 439.579 4.212 20 0 IIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21 ZINC001165027790 721815336 /nfs/dbraw/zinc/81/53/36/721815336.db2.gz VXTUILDEQGNKGD-WWPVKYPJSA-N 2 1 440.035 4.463 20 0 IIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21 ZINC001165027790 721815339 /nfs/dbraw/zinc/81/53/39/721815339.db2.gz VXTUILDEQGNKGD-WWPVKYPJSA-N 2 1 440.035 4.463 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1 ZINC001164958751 722051240 /nfs/dbraw/zinc/05/12/40/722051240.db2.gz GBPMFYYCFWPIQM-JTKRFKOTSA-N 2 1 435.616 4.319 20 0 IIADMP c1ccc2c(c1)C[NH2+][C@@H]1CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164423146 718945490 /nfs/dbraw/zinc/94/54/90/718945490.db2.gz FQCSRAIHGKWLRR-NHCUHLMSSA-N 2 1 445.636 4.242 20 0 IIADMP Cc1ccc(-c2csc3ncnc(-n4nc(C[N@@H+](C)C(C)C)c5c4C[NH2+]CC5)c23)cc1 ZINC001164683461 719616745 /nfs/dbraw/zinc/61/67/45/719616745.db2.gz JDUYGIGZWGMNPX-UHFFFAOYSA-N 2 1 432.597 4.338 20 0 IIADMP Cc1ccc(-c2csc3ncnc(-n4nc(C[N@H+](C)C(C)C)c5c4C[NH2+]CC5)c23)cc1 ZINC001164683461 719616758 /nfs/dbraw/zinc/61/67/58/719616758.db2.gz JDUYGIGZWGMNPX-UHFFFAOYSA-N 2 1 432.597 4.338 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2cnc(-c3ccccc3)c(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164682378 719620126 /nfs/dbraw/zinc/62/01/26/719620126.db2.gz MTGNRRPYUMJYMD-UHFFFAOYSA-N 2 1 438.579 4.482 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2cnc(-c3ccccc3)c(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164682378 719620132 /nfs/dbraw/zinc/62/01/32/719620132.db2.gz MTGNRRPYUMJYMD-UHFFFAOYSA-N 2 1 438.579 4.482 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164683568 719630231 /nfs/dbraw/zinc/63/02/31/719630231.db2.gz SVYJZRJJBYNQGB-UHFFFAOYSA-N 2 1 446.933 4.077 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164683568 719630236 /nfs/dbraw/zinc/63/02/36/719630236.db2.gz SVYJZRJJBYNQGB-UHFFFAOYSA-N 2 1 446.933 4.077 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)c2c1CC[NH2+]C2 ZINC001164679445 719638068 /nfs/dbraw/zinc/63/80/68/719638068.db2.gz APTPATTYFLWTIR-UHFFFAOYSA-N 2 1 448.521 4.247 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)c2c1CC[NH2+]C2 ZINC001164679445 719638071 /nfs/dbraw/zinc/63/80/71/719638071.db2.gz APTPATTYFLWTIR-UHFFFAOYSA-N 2 1 448.521 4.247 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)c2c1CC[NH2+]C2 ZINC001164679479 719646758 /nfs/dbraw/zinc/64/67/58/719646758.db2.gz BWVVARSKVUHIMP-UHFFFAOYSA-N 2 1 446.933 4.077 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)c2c1CC[NH2+]C2 ZINC001164679479 719646771 /nfs/dbraw/zinc/64/67/71/719646771.db2.gz BWVVARSKVUHIMP-UHFFFAOYSA-N 2 1 446.933 4.077 20 0 IIADMP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165025965 721814605 /nfs/dbraw/zinc/81/46/05/721814605.db2.gz ONNPJFKHQBDNDZ-PMOQBDJRSA-N 2 1 432.568 4.384 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)nc1 ZINC001164958747 722051307 /nfs/dbraw/zinc/05/13/07/722051307.db2.gz GBPMFYYCFWPIQM-FCBCXNLDSA-N 2 1 435.616 4.319 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164972550 722153468 /nfs/dbraw/zinc/15/34/68/722153468.db2.gz IJBXTCSOUXGFJU-TWJOJJKGSA-N 2 1 449.643 4.141 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164972550 722153469 /nfs/dbraw/zinc/15/34/69/722153469.db2.gz IJBXTCSOUXGFJU-TWJOJJKGSA-N 2 1 449.643 4.141 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164972550 722153470 /nfs/dbraw/zinc/15/34/70/722153470.db2.gz IJBXTCSOUXGFJU-TWJOJJKGSA-N 2 1 449.643 4.141 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164684188 719615294 /nfs/dbraw/zinc/61/52/94/719615294.db2.gz MYSDTRPNSPGVTQ-UHFFFAOYSA-N 2 1 438.579 4.482 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164684188 719615301 /nfs/dbraw/zinc/61/53/01/719615301.db2.gz MYSDTRPNSPGVTQ-UHFFFAOYSA-N 2 1 438.579 4.482 20 0 IIADMP Cc1sc2nc(-c3cccnc3)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164680183 719638050 /nfs/dbraw/zinc/63/80/50/719638050.db2.gz RSUBMAOTEOMENV-UHFFFAOYSA-N 2 1 447.612 4.042 20 0 IIADMP Cc1sc2nc(-c3cccnc3)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164680183 719638054 /nfs/dbraw/zinc/63/80/54/719638054.db2.gz RSUBMAOTEOMENV-UHFFFAOYSA-N 2 1 447.612 4.042 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccc(Cl)s3)nc3c2CCC3)c2c1CC[NH2+]C2 ZINC001164679797 719645719 /nfs/dbraw/zinc/64/57/19/719645719.db2.gz NGWHJKKHDWBQJA-UHFFFAOYSA-N 2 1 443.020 4.019 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccc(Cl)s3)nc3c2CCC3)c2c1CC[NH2+]C2 ZINC001164679797 719645726 /nfs/dbraw/zinc/64/57/26/719645726.db2.gz NGWHJKKHDWBQJA-UHFFFAOYSA-N 2 1 443.020 4.019 20 0 IIADMP CC(C)[N@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccccc2Cl)c2c1CC[NH2+]C2 ZINC001164681881 719650329 /nfs/dbraw/zinc/65/03/29/719650329.db2.gz RWIQLIGPGTVIOY-UHFFFAOYSA-N 2 1 447.370 4.247 20 0 IIADMP CC(C)[N@@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccccc2Cl)c2c1CC[NH2+]C2 ZINC001164681881 719650330 /nfs/dbraw/zinc/65/03/30/719650330.db2.gz RWIQLIGPGTVIOY-UHFFFAOYSA-N 2 1 447.370 4.247 20 0 IIADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001164815881 720129029 /nfs/dbraw/zinc/12/90/29/720129029.db2.gz WXJVEGXVXABWIF-HOFKKMOUSA-N 2 1 430.596 4.269 20 0 IIADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21 ZINC001165027781 721815493 /nfs/dbraw/zinc/81/54/93/721815493.db2.gz VXTUILDEQGNKGD-UEVCKROQSA-N 2 1 440.035 4.463 20 0 IIADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]21 ZINC001165027781 721815495 /nfs/dbraw/zinc/81/54/95/721815495.db2.gz VXTUILDEQGNKGD-UEVCKROQSA-N 2 1 440.035 4.463 20 0 IIADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N(C)CC3CC[NH+](C)CC3)n2)CCC4)CC1 ZINC001165042093 721937254 /nfs/dbraw/zinc/93/72/54/721937254.db2.gz FSWYPHMAXXKQTG-UHFFFAOYSA-N 2 1 427.662 4.190 20 0 IIADMP FC(F)(F)[C@H]1N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CCC12CC[NH2+]CC2 ZINC001164389737 718814354 /nfs/dbraw/zinc/81/43/54/718814354.db2.gz YNTONJPEYGYNAL-QFIPXVFZSA-N 2 1 430.518 4.151 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1 ZINC001164691629 719759844 /nfs/dbraw/zinc/75/98/44/719759844.db2.gz PIWJODSABMOERR-HOKHCIIBSA-N 2 1 439.579 4.212 20 0 IIADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001164815883 720130048 /nfs/dbraw/zinc/13/00/48/720130048.db2.gz WXJVEGXVXABWIF-WNCULLNHSA-N 2 1 430.596 4.269 20 0 IIADMP Cc1cc2[nH]ccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164754043 720893997 /nfs/dbraw/zinc/89/39/97/720893997.db2.gz IKAMQZOFYXSXRO-NVQXNPDNSA-N 2 1 431.584 4.021 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1C ZINC001164769807 721298053 /nfs/dbraw/zinc/29/80/53/721298053.db2.gz NPZNVBHKSVAJLU-UHFFFAOYSA-N 2 1 425.646 4.216 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2c1C ZINC001164769807 721298056 /nfs/dbraw/zinc/29/80/56/721298056.db2.gz NPZNVBHKSVAJLU-UHFFFAOYSA-N 2 1 425.646 4.216 20 0 IIADMP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165025966 721814488 /nfs/dbraw/zinc/81/44/88/721814488.db2.gz ONNPJFKHQBDNDZ-VJBMBRPKSA-N 2 1 432.568 4.384 20 0 IIADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1 ZINC001164617202 719034845 /nfs/dbraw/zinc/03/48/45/719034845.db2.gz JVVUMXWZGLCPRU-DEOSSOPVSA-N 2 1 442.648 4.263 20 0 IIADMP Cc1ccc(-c2nnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c3ccccc32)cc1 ZINC001164679749 719636048 /nfs/dbraw/zinc/63/60/48/719636048.db2.gz LONUTHYDPMMECG-UHFFFAOYSA-N 2 1 426.568 4.277 20 0 IIADMP Cc1ccc(-c2nnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c3ccccc32)cc1 ZINC001164679749 719636065 /nfs/dbraw/zinc/63/60/65/719636065.db2.gz LONUTHYDPMMECG-UHFFFAOYSA-N 2 1 426.568 4.277 20 0 IIADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3cc(OC)ccc31)CC2 ZINC001164710657 720106427 /nfs/dbraw/zinc/10/64/27/720106427.db2.gz KODLAOQQOVJBGZ-QFIPXVFZSA-N 2 1 432.568 4.146 20 0 IIADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)ccc3c[nH+]1)CC2 ZINC001164711634 720129938 /nfs/dbraw/zinc/12/99/38/720129938.db2.gz HMPLFZHHNABKEE-QHCPKHFHSA-N 2 1 432.568 4.146 20 0 IIADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)ccc3c[nH+]1)CC2 ZINC001164711634 720129941 /nfs/dbraw/zinc/12/99/41/720129941.db2.gz HMPLFZHHNABKEE-QHCPKHFHSA-N 2 1 432.568 4.146 20 0 IIADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819917 720194845 /nfs/dbraw/zinc/19/48/45/720194845.db2.gz YXPIAXKPSKXPIH-DGWZTRNLSA-N 2 1 426.649 4.203 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819917 720194846 /nfs/dbraw/zinc/19/48/46/720194846.db2.gz YXPIAXKPSKXPIH-DGWZTRNLSA-N 2 1 426.649 4.203 20 0 IIADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164819917 720194847 /nfs/dbraw/zinc/19/48/47/720194847.db2.gz YXPIAXKPSKXPIH-DGWZTRNLSA-N 2 1 426.649 4.203 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164725725 720440674 /nfs/dbraw/zinc/44/06/74/720440674.db2.gz AWCHEQHXZBRGCF-NHCUHLMSSA-N 2 1 448.640 4.152 20 0 IIADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164725725 720440684 /nfs/dbraw/zinc/44/06/84/720440684.db2.gz AWCHEQHXZBRGCF-NHCUHLMSSA-N 2 1 448.640 4.152 20 0 IIADMP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4c([nH+]2)CCCC4)C3)c1 ZINC001164757460 720884631 /nfs/dbraw/zinc/88/46/31/720884631.db2.gz VBKFUVOTYSLZON-RPLLCQBOSA-N 2 1 432.612 4.111 20 0 IIADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4c([nH+]2)CCCC4)C3)c1 ZINC001164757460 720884634 /nfs/dbraw/zinc/88/46/34/720884634.db2.gz VBKFUVOTYSLZON-RPLLCQBOSA-N 2 1 432.612 4.111 20 0 IIADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)[C@@H]2C ZINC001164860712 720970234 /nfs/dbraw/zinc/97/02/34/720970234.db2.gz PPWKNIFQSUKODQ-GOSISDBHSA-N 2 1 447.562 4.237 20 0 IIADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)[C@@H]2C ZINC001164860712 720970246 /nfs/dbraw/zinc/97/02/46/720970246.db2.gz PPWKNIFQSUKODQ-GOSISDBHSA-N 2 1 447.562 4.237 20 0 IIADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)c12 ZINC001164760582 721042724 /nfs/dbraw/zinc/04/27/24/721042724.db2.gz WXIJKYDFOSFMBN-UHFFFAOYSA-N 2 1 447.583 4.326 20 0 IIADMP COc1cc2c[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cc2cc1OC ZINC001165027524 721825965 /nfs/dbraw/zinc/82/59/65/721825965.db2.gz SMVXCBFXXMIRLX-NMNUPHIUSA-N 2 1 432.568 4.384 20 0 IIADMP