smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@@H]4C2)n1)CCCC3)N1CCOCC1 ZINC001164389287 718824468 /nfs/dbraw/zinc/82/44/68/718824468.db2.gz HCSBEPNZHSRGSJ-DLBZAZTESA-N 1 0 429.590 1.969 20 0 IDADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4CC[NH2+]C[C@H]4C3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164405019 718837904 /nfs/dbraw/zinc/83/79/04/718837904.db2.gz OFBYBHLIFKAGQT-HRCADAONSA-N 1 0 435.523 1.320 20 0 IDADRO C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@H]4C2)n1)CCCC3)N1CCOCC1 ZINC001164408220 718839403 /nfs/dbraw/zinc/83/94/03/718839403.db2.gz YUERFDCNDUTGQK-INIZCTEOSA-N 1 0 428.606 1.496 20 0 IDADRO O=C(c1cccnc1N1CCO[C@@H]2C[NH2+]CC[C@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164409563 718863211 /nfs/dbraw/zinc/86/32/11/718863211.db2.gz RHJZVLFLBWLYOT-JTHBVZDNSA-N 1 0 435.572 1.854 20 0 IDADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(CN4C(=O)CCC4=O)cn3)CC2)CC1 ZINC001164616311 719029644 /nfs/dbraw/zinc/02/96/44/719029644.db2.gz ADMUZDZUPABKRJ-UHFFFAOYSA-N 1 0 428.533 1.975 20 0 IDADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCC[C@H]4C(N)=O)ncn3)CC2)CC1 ZINC001164617047 719034029 /nfs/dbraw/zinc/03/40/29/719034029.db2.gz FYZDKNHJLVYBJS-SFHVURJKSA-N 1 0 430.553 1.175 20 0 IDADRO O=C(COCc1nnn2c1CN(c1ncccc1C[NH+]1CCCC1)CCC2)N1CCCC1 ZINC001164638795 719259463 /nfs/dbraw/zinc/25/94/63/719259463.db2.gz PIZYPFGMEBFGMH-UHFFFAOYSA-N 1 0 439.564 1.818 20 0 IDADRO CCOC(=O)[C@@H]1CCCN(c2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nn2)C1 ZINC001164679755 719641574 /nfs/dbraw/zinc/64/15/74/719641574.db2.gz LXPOSGUDIUIILB-QGZVFWFLSA-N 1 0 441.580 1.928 20 0 IDADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)nn2)C1 ZINC001164689337 719741182 /nfs/dbraw/zinc/74/11/82/719741182.db2.gz BMUUNLJCBXEFAC-GOSISDBHSA-N 1 0 444.580 1.437 20 0 IDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)CC2 ZINC001164690052 719748893 /nfs/dbraw/zinc/74/88/93/719748893.db2.gz RHYZFTUOBOCSAY-UHFFFAOYSA-N 1 0 449.603 1.984 20 0 IDADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001164707170 719876918 /nfs/dbraw/zinc/87/69/18/719876918.db2.gz QWVVNOHWVPBCGN-JPYJTQIMSA-N 1 0 432.565 1.787 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)c4cnccn4)C3)n2)CC1 ZINC001164716739 720054241 /nfs/dbraw/zinc/05/42/41/720054241.db2.gz WXEOQBWGPASBGT-JLMWRMLUSA-N 1 0 437.548 1.037 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@@H](NC(=O)c4cnccn4)[C@H]4OCCC[C@H]4C3)n2)CC1 ZINC001164716741 720054746 /nfs/dbraw/zinc/05/47/46/720054746.db2.gz WXEOQBWGPASBGT-KPLVRAHFSA-N 1 0 437.548 1.037 20 0 IDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(ncn3C)c(N3CCOCC3)n1)C2 ZINC001164808053 720095852 /nfs/dbraw/zinc/09/58/52/720095852.db2.gz HHXJQNIHHYBVQA-WZONZLPQSA-N 1 0 441.580 1.385 20 0 IDADRO CNS(=O)(=O)c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713535 720140233 /nfs/dbraw/zinc/14/02/33/720140233.db2.gz RMERCVZVQNTRSJ-IBGZPJMESA-N 1 0 445.589 1.892 20 0 IDADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(S(N)(=O)=O)cc1F)CC2 ZINC001164712310 720156254 /nfs/dbraw/zinc/15/62/54/720156254.db2.gz FMUPHZNESVKELU-QGZVFWFLSA-N 1 0 449.552 1.771 20 0 IDADRO CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164818419 720160111 /nfs/dbraw/zinc/16/01/11/720160111.db2.gz SQYJZGYTAWTEPJ-AHISDQSPSA-N 1 0 436.578 1.575 20 0 IDADRO COc1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1NC(C)C ZINC001164711851 720163579 /nfs/dbraw/zinc/16/35/79/720163579.db2.gz CUYWWGXWOMLFSY-QGZVFWFLSA-N 1 0 430.557 1.650 20 0 IDADRO Cc1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1N1CCCC1 ZINC001164713452 720163790 /nfs/dbraw/zinc/16/37/90/720163790.db2.gz KRJCAYJUWCNARZ-IBGZPJMESA-N 1 0 426.569 1.730 20 0 IDADRO COC(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(Cl)c1 ZINC001164711307 720164580 /nfs/dbraw/zinc/16/45/80/720164580.db2.gz AWZCENQROJKSIZ-QGZVFWFLSA-N 1 0 434.928 1.866 20 0 IDADRO COC(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(Cl)c1 ZINC001164711305 720165575 /nfs/dbraw/zinc/16/55/75/720165575.db2.gz AWZCENQROJKSIZ-KRWDZBQOSA-N 1 0 434.928 1.866 20 0 IDADRO COC(=O)c1cnc(Cl)nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164714578 720167442 /nfs/dbraw/zinc/16/74/42/720167442.db2.gz QMNCMRGSTXMNQT-OAHLLOKOSA-N 1 0 435.916 1.261 20 0 IDADRO CCOC(=O)Cc1cccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716101 720172184 /nfs/dbraw/zinc/17/21/84/720172184.db2.gz XRSACBADFACOPC-LJQANCHMSA-N 1 0 428.537 1.532 20 0 IDADRO Cn1nnc2c1CCN(c1nc(Cl)c(F)cc1C(N)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001164718256 720174329 /nfs/dbraw/zinc/17/43/29/720174329.db2.gz OAXWCTWFPHWELE-HNNXBMFYSA-N 1 0 437.907 1.318 20 0 IDADRO COC(=O)c1c[nH]c2nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)ccc12 ZINC001164716507 720174879 /nfs/dbraw/zinc/17/48/79/720174879.db2.gz GAOCBSHHGGJTMW-SFHVURJKSA-N 1 0 439.520 1.694 20 0 IDADRO COC(=O)c1cc(OC)cnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715418 720175291 /nfs/dbraw/zinc/17/52/91/720175291.db2.gz BMZVTFPHHUFPSH-GOSISDBHSA-N 1 0 430.509 1.222 20 0 IDADRO COC(=O)Cc1c(Cl)ncnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718740 720175876 /nfs/dbraw/zinc/17/58/76/720175876.db2.gz PXVLWKXTIKZMCS-INIZCTEOSA-N 1 0 449.943 1.190 20 0 IDADRO CCOC(=O)Cc1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164717632 720182507 /nfs/dbraw/zinc/18/25/07/720182507.db2.gz KXTQMVPWQMHAEZ-LJQANCHMSA-N 1 0 428.537 1.532 20 0 IDADRO COCCn1ccc2c1ncnc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164717068 720184744 /nfs/dbraw/zinc/18/47/44/720184744.db2.gz KIJHUJZHSHLFAN-IBGZPJMESA-N 1 0 440.552 1.422 20 0 IDADRO Cn1nnc2c1CCN(c1nccc(C(=O)OC(C)(C)C)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719552 720186864 /nfs/dbraw/zinc/18/68/64/720186864.db2.gz VUZBCNOIUNWAHT-SFHVURJKSA-N 1 0 443.552 1.777 20 0 IDADRO Cn1nnc2c1CCN(c1cncc(N3CCCCC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715026 720190759 /nfs/dbraw/zinc/19/07/59/720190759.db2.gz INIJOTXAVBGNSN-LJQANCHMSA-N 1 0 426.569 1.812 20 0 IDADRO Cn1nnc2c1CCN(c1cc(C(=O)NC(C)(C)C)ccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715616 720191901 /nfs/dbraw/zinc/19/19/01/720191901.db2.gz LGAPYUPAAMWRMU-IBGZPJMESA-N 1 0 441.580 1.955 20 0 IDADRO Cn1nnc2c1CCN(c1nc[nH]c3nc(=S)sc1-3)[C@H]2COCC[NH+]1CCCC1 ZINC001164714513 720194300 /nfs/dbraw/zinc/19/43/00/720194300.db2.gz GCCMFMHVYOPCDD-ZDUSSCGKSA-N 1 0 432.579 1.720 20 0 IDADRO COC(=O)c1nc(Cl)cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164716286 720200341 /nfs/dbraw/zinc/20/03/41/720200341.db2.gz PTLXMEZJWVOJEL-CQSZACIVSA-N 1 0 435.916 1.261 20 0 IDADRO Cn1nnc2c1CCN(c1cc(N3CCSCC3)ncn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715105 720201469 /nfs/dbraw/zinc/20/14/69/720201469.db2.gz JCCSUTCGAQREGG-GOSISDBHSA-N 1 0 444.609 1.375 20 0 IDADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c1CN(C)CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164718867 720203953 /nfs/dbraw/zinc/20/39/53/720203953.db2.gz NQGQFOSJWIROPT-SFHVURJKSA-N 1 0 446.987 1.463 20 0 IDADRO Cn1nnc2c1CCN([C@@H](F)Oc1ccc(Cl)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719674 720206727 /nfs/dbraw/zinc/20/67/27/720206727.db2.gz SGZFYWIRHDEZCI-KBXCAEBGSA-N 1 0 425.896 1.602 20 0 IDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)c(F)c3c1C(=O)NC3)CCC2 ZINC001164813950 720227481 /nfs/dbraw/zinc/22/74/81/720227481.db2.gz PUKBWUWQOKUKAB-UHFFFAOYSA-N 1 0 434.903 1.925 20 0 IDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCSCC3)ncn1)CCC2 ZINC001164812115 720242617 /nfs/dbraw/zinc/24/26/17/720242617.db2.gz BKDDGNFLFJQVOQ-UHFFFAOYSA-N 1 0 429.594 1.837 20 0 IDADRO C[NH+](C)Cc1ccnc(N2CCOC[C@@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)c1 ZINC001164817608 720274535 /nfs/dbraw/zinc/27/45/35/720274535.db2.gz DWVUEJXYCJEVTM-XMSQKQJNSA-N 1 0 426.521 1.118 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc(S(C)(=O)=O)n2)CC1 ZINC001164819153 720286215 /nfs/dbraw/zinc/28/62/15/720286215.db2.gz PSMBMBPYRXCISE-CABCVRRESA-N 1 0 441.985 1.445 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc(S(C)(=O)=O)n2)CC1 ZINC001164819157 720286461 /nfs/dbraw/zinc/28/64/61/720286461.db2.gz PSMBMBPYRXCISE-HUUCEWRRSA-N 1 0 441.985 1.445 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC001164819203 720294836 /nfs/dbraw/zinc/29/48/36/720294836.db2.gz CWVXCQKRSLYIKK-NHCUHLMSSA-N 1 0 441.576 1.466 20 0 IDADRO CCOC(=O)c1nnc(SC)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825886 720307599 /nfs/dbraw/zinc/30/75/99/720307599.db2.gz UEGIKPVZANQXEO-HZPDHXFCSA-N 1 0 448.593 1.682 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+]cnc3[n-]cc(S(C)(=O)=O)c32)CC1 ZINC001164822645 720309220 /nfs/dbraw/zinc/30/92/20/720309220.db2.gz NWCGHWBLYCYMCR-CVEARBPZSA-N 1 0 446.577 1.273 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+]cnc3[n-]cc(S(C)(=O)=O)c32)CC1 ZINC001164822647 720309601 /nfs/dbraw/zinc/30/96/01/720309601.db2.gz NWCGHWBLYCYMCR-HZPDHXFCSA-N 1 0 446.577 1.273 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(S(N)(=O)=O)cc2Cl)CC1 ZINC001164825271 720312673 /nfs/dbraw/zinc/31/26/73/720312673.db2.gz SYKCEPGRYXXOMP-IRXDYDNUSA-N 1 0 441.985 1.294 20 0 IDADRO C[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2N1C ZINC001164833944 720320459 /nfs/dbraw/zinc/32/04/59/720320459.db2.gz YFIQNNGSPKRPRX-ZTFGCOKTSA-N 1 0 427.553 1.165 20 0 IDADRO COC(=O)c1nc2cnccc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164832487 720324716 /nfs/dbraw/zinc/32/47/16/720324716.db2.gz UCXNJZUDLQSAJJ-MOPGFXCFSA-N 1 0 438.532 1.723 20 0 IDADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164834381 720325237 /nfs/dbraw/zinc/32/52/37/720325237.db2.gz ZSFQUFQBTXNJDX-DLBZAZTESA-N 1 0 426.521 1.656 20 0 IDADRO COC(=O)c1cc2cnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2n1C ZINC001164823371 720335716 /nfs/dbraw/zinc/33/57/16/720335716.db2.gz AYQYVTJIUIFDJM-ROUUACIJSA-N 1 0 440.548 1.666 20 0 IDADRO CN(C)S(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164822826 720337848 /nfs/dbraw/zinc/33/78/48/720337848.db2.gz FOKMWWTVBYCHGW-MOPGFXCFSA-N 1 0 435.594 1.243 20 0 IDADRO CC(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164829522 720338369 /nfs/dbraw/zinc/33/83/69/720338369.db2.gz SIUFHHMFMDWQEB-VQTJNVASSA-N 1 0 449.621 1.680 20 0 IDADRO COCCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164827484 720350740 /nfs/dbraw/zinc/35/07/40/720350740.db2.gz MGAZHGURHLFNEJ-VQTJNVASSA-N 1 0 430.549 1.796 20 0 IDADRO CCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829136 720355099 /nfs/dbraw/zinc/35/50/99/720355099.db2.gz QQWFSPUAYSQBPX-DLBZAZTESA-N 1 0 434.972 1.791 20 0 IDADRO Cc1nc(CN2CCN(C)C3(CCN(c4ncc5c(n4)CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164823092 720363629 /nfs/dbraw/zinc/36/36/29/720363629.db2.gz AJPHXSCYEBHQQS-UHFFFAOYSA-N 1 0 427.578 1.200 20 0 IDADRO Cc1nc(CO[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164821085 720386827 /nfs/dbraw/zinc/38/68/27/720386827.db2.gz DQSNIILBUOVOAB-OPYAIIAOSA-N 1 0 430.578 1.946 20 0 IDADRO Cc1cc(N2CCCC2)nc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)[nH+]1 ZINC001164825579 720427661 /nfs/dbraw/zinc/42/76/61/720427661.db2.gz OAKGRRKJPHGODY-LJQANCHMSA-N 1 0 441.580 1.571 20 0 IDADRO Cc1cc(N2CCCC2)nc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)[nH+]1 ZINC001164825577 720428055 /nfs/dbraw/zinc/42/80/55/720428055.db2.gz OAKGRRKJPHGODY-IBGZPJMESA-N 1 0 441.580 1.571 20 0 IDADRO COc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(N2CCn3ccnc3C2)n1 ZINC001164732398 720470913 /nfs/dbraw/zinc/47/09/13/720470913.db2.gz ZVVJHMCNQCLFQX-ZWKOTPCHSA-N 1 0 433.520 1.345 20 0 IDADRO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164737002 720578118 /nfs/dbraw/zinc/57/81/18/720578118.db2.gz YBEVKQPZCQFJBW-PMERELPUSA-N 1 0 432.550 1.246 20 0 IDADRO CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164841124 720602177 /nfs/dbraw/zinc/60/21/77/720602177.db2.gz RCHVUILSQPGXSV-WSTZPKSXSA-N 1 0 432.594 1.954 20 0 IDADRO c1ccc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164741981 720691600 /nfs/dbraw/zinc/69/16/00/720691600.db2.gz UWVJYQXDSYHWTI-ZWKOTPCHSA-N 1 0 433.516 1.598 20 0 IDADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)C1=O ZINC001164744620 720747049 /nfs/dbraw/zinc/74/70/49/720747049.db2.gz RRKHVSXRSOHYQQ-KBPBESRZSA-N 1 0 429.912 1.626 20 0 IDADRO c1ncc(O[C@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[N@@H+]3C2)cn1 ZINC001164746805 720755687 /nfs/dbraw/zinc/75/56/87/720755687.db2.gz YOALODCUIAAUSW-ROUUACIJSA-N 1 0 437.552 1.204 20 0 IDADRO O=S(=O)(c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1)N1CCCCC1 ZINC001164742883 720762863 /nfs/dbraw/zinc/76/28/63/720762863.db2.gz OYJUQFOSTZFAEN-ZWKOTPCHSA-N 1 0 444.561 1.388 20 0 IDADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164739479 720769820 /nfs/dbraw/zinc/76/98/20/720769820.db2.gz IVBJRFUHZKGTRS-ZWKOTPCHSA-N 1 0 446.577 1.680 20 0 IDADRO CC1(C)NC(=O)N(Cc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2)C1=O ZINC001164738310 720771033 /nfs/dbraw/zinc/77/10/33/720771033.db2.gz FTQPCMQKUQHJCR-IRXDYDNUSA-N 1 0 437.504 1.044 20 0 IDADRO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746890 720820132 /nfs/dbraw/zinc/82/01/32/720820132.db2.gz ZKRQJWLPKGVLHI-NLWGTHIKSA-N 1 0 425.537 1.933 20 0 IDADRO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746896 720820359 /nfs/dbraw/zinc/82/03/59/720820359.db2.gz ZKRQJWLPKGVLHI-WSTZPKSXSA-N 1 0 425.537 1.933 20 0 IDADRO COC(=O)c1cc(OC)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743843 720820983 /nfs/dbraw/zinc/82/09/83/720820983.db2.gz SVPVTGMBFRCKIA-ABSDTBQOSA-N 1 0 426.521 1.848 20 0 IDADRO CCOC(=O)c1cnc(OC)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737684 720825545 /nfs/dbraw/zinc/82/55/45/720825545.db2.gz BYJMHOMJXUZCGH-ZHALLVOQSA-N 1 0 441.536 1.633 20 0 IDADRO CCOC(=O)c1cnc(OC)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737682 720825772 /nfs/dbraw/zinc/82/57/72/720825772.db2.gz BYJMHOMJXUZCGH-JENIJYKNSA-N 1 0 441.536 1.633 20 0 IDADRO C[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2N1C ZINC001164737947 720830860 /nfs/dbraw/zinc/83/08/60/720830860.db2.gz CMYSKTBYVWVFSR-VYCZESIESA-N 1 0 437.552 1.224 20 0 IDADRO O=C1NCc2c1cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750426 720836020 /nfs/dbraw/zinc/83/60/20/720836020.db2.gz XOCAQTBLPBEUAG-HDMKZQKVSA-N 1 0 427.940 1.949 20 0 IDADRO CON(C)C(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748724 720840320 /nfs/dbraw/zinc/84/03/20/720840320.db2.gz UQZRXDNZVZDYBU-WSTZPKSXSA-N 1 0 425.537 1.686 20 0 IDADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748221 720841076 /nfs/dbraw/zinc/84/10/76/720841076.db2.gz SJXJIXJIGSCGGT-SFHLNBCPSA-N 1 0 439.564 1.994 20 0 IDADRO COC(OC)c1c(CO)ccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743021 720841269 /nfs/dbraw/zinc/84/12/69/720841269.db2.gz IDDKMYGFDFDGNB-XUVXKRRUSA-N 1 0 442.564 1.836 20 0 IDADRO COC(OC)c1c(CO)ccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743019 720841288 /nfs/dbraw/zinc/84/12/88/720841288.db2.gz IDDKMYGFDFDGNB-VAMGGRTRSA-N 1 0 442.564 1.836 20 0 IDADRO COCCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164753580 720856543 /nfs/dbraw/zinc/85/65/43/720856543.db2.gz YEUPWMPOGUKVDE-NJDAHSKKSA-N 1 0 440.548 1.856 20 0 IDADRO COC(=O)c1ncnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1OC ZINC001164744544 720861273 /nfs/dbraw/zinc/86/12/73/720861273.db2.gz BSSUAEULPCHCLO-GVDBMIGSSA-N 1 0 427.509 1.243 20 0 IDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccnc3N3CCC(C(=O)OC)CC3)CC[C@@H]2C1 ZINC001164852355 720864931 /nfs/dbraw/zinc/86/49/31/720864931.db2.gz CLXMGQMHSLWTRI-MOPGFXCFSA-N 1 0 433.553 1.040 20 0 IDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3cc(C(=O)OC)n4C)CC[C@@H]2C1 ZINC001164857437 720871770 /nfs/dbraw/zinc/87/17/70/720871770.db2.gz JOQZJFNVFFSYRB-CJNGLKHVSA-N 1 0 437.928 1.582 20 0 IDADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164859894 720875902 /nfs/dbraw/zinc/87/59/02/720875902.db2.gz MZPKTERPNSLLCY-IEBWSBKVSA-N 1 0 426.583 1.286 20 0 IDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)CC[C@@H]2C1 ZINC001164865255 720878359 /nfs/dbraw/zinc/87/83/59/720878359.db2.gz ZEKBQKSGVIVTOV-QZTJIDSGSA-N 1 0 431.537 1.086 20 0 IDADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)CC[C@H]2C1 ZINC001164865256 720878501 /nfs/dbraw/zinc/87/85/01/720878501.db2.gz ZEKBQKSGVIVTOV-ROUUACIJSA-N 1 0 431.537 1.086 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CC[C@@]4(C3)C[C@@H](NC(=O)c3ccccc3)CCO4)nn2)CC1 ZINC001164857714 720897256 /nfs/dbraw/zinc/89/72/56/720897256.db2.gz JEQOOFNKUSRGFS-RDPSFJRHSA-N 1 0 436.560 1.786 20 0 IDADRO CNC(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164747203 720922639 /nfs/dbraw/zinc/92/26/39/720922639.db2.gz CCPJFDDLCGTVTH-GBXCKJPGSA-N 1 0 436.560 1.986 20 0 IDADRO CN(C)c1nc(-c2ccccc2)nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164752367 720958059 /nfs/dbraw/zinc/95/80/59/720958059.db2.gz XBJYTIAHKMPPLB-UHFFFAOYSA-N 1 0 436.520 1.447 20 0 IDADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164750889 720960424 /nfs/dbraw/zinc/96/04/24/720960424.db2.gz MLWHOXPHADXNRM-PLNGDYQASA-N 1 0 438.488 1.591 20 0 IDADRO COC(=O)c1c(Cl)cnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1OC ZINC001164752432 720961557 /nfs/dbraw/zinc/96/15/57/720961557.db2.gz XZFRGXIJJNOKJL-UHFFFAOYSA-N 1 0 437.884 1.372 20 0 IDADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1S(=O)(=O)N1CCOCC1)[C@H]2C ZINC001164864203 720980528 /nfs/dbraw/zinc/98/05/28/720980528.db2.gz ZMDIXUNMQCWOJX-KRWDZBQOSA-N 1 0 448.593 1.720 20 0 IDADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164862009 721036704 /nfs/dbraw/zinc/03/67/04/721036704.db2.gz JWBNJUYDEFEMEB-DEOSSOPVSA-N 1 0 434.544 1.917 20 0 IDADRO O=S(=O)(c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CCCC1 ZINC001164867721 721114823 /nfs/dbraw/zinc/11/48/23/721114823.db2.gz ZTDDTNYZVKMVCB-PMACEKPBSA-N 1 0 443.573 1.741 20 0 IDADRO CC(C)NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164872574 721143215 /nfs/dbraw/zinc/14/32/15/721143215.db2.gz HQONAOFCUJJXFA-RTBURBONSA-N 1 0 431.562 1.643 20 0 IDADRO COC(=O)C1CCN(c2nccnc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001164772899 721164339 /nfs/dbraw/zinc/16/43/39/721164339.db2.gz VYBQHZDPRDLOHP-VQTJNVASSA-N 1 0 439.564 1.558 20 0 IDADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(CN5C(=O)NC(C)(C)C5=O)cn4)C[C@H]3C2)cn1 ZINC001164771504 721207955 /nfs/dbraw/zinc/20/79/55/721207955.db2.gz QRCPZRINAYZJNM-RBUKOAKNSA-N 1 0 437.548 1.604 20 0 IDADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(C(=O)NC5CCOCC5)nn4)C[C@H]3C2)cn1 ZINC001164769285 721221684 /nfs/dbraw/zinc/22/16/84/721221684.db2.gz LXJLGQMBWMXLSC-ZWKOTPCHSA-N 1 0 425.537 1.077 20 0 IDADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164874097 721262556 /nfs/dbraw/zinc/26/25/56/721262556.db2.gz IZCCPIFFWSVGNG-FPLPWBNLSA-N 1 0 430.549 1.665 20 0 IDADRO COCCn1ccc2c1ncnc2N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164875643 721276205 /nfs/dbraw/zinc/27/62/05/721276205.db2.gz YITUSHKWSUQORQ-UHFFFAOYSA-N 1 0 430.553 1.085 20 0 IDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc(C(=O)OC(C)(C)C)n3)CC2)C1 ZINC001164873541 721277505 /nfs/dbraw/zinc/27/75/05/721277505.db2.gz OCPORXOZUBQXEP-UHFFFAOYSA-N 1 0 433.553 1.439 20 0 IDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)COc3cncc(Cl)n3)CC2)C1 ZINC001164878615 721286309 /nfs/dbraw/zinc/28/63/09/721286309.db2.gz RODHUQGDOOKAAD-UHFFFAOYSA-N 1 0 447.914 1.604 20 0 IDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)Oc3cnc(Cl)cn3)CC2)C1 ZINC001164878605 721292835 /nfs/dbraw/zinc/29/28/35/721292835.db2.gz RLLMOVVSKFYTGE-UHFFFAOYSA-N 1 0 433.887 1.562 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CCC4(C[C@@H](Oc5ncccc5F)CO4)CC3)nn2)CC1 ZINC001164779593 721325245 /nfs/dbraw/zinc/32/52/45/721325245.db2.gz ZKRLTGVHYGEYGA-QGZVFWFLSA-N 1 0 428.512 1.969 20 0 IDADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)c4cccnc4)C3)nn2)CC1 ZINC001164781334 721378255 /nfs/dbraw/zinc/37/82/55/721378255.db2.gz JJDWKNVQUSWCNZ-IPJJNNNSSA-N 1 0 437.548 1.037 20 0 IDADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(CN5CCOCC5)cn4)C3)O2)CC1 ZINC001164888524 721386496 /nfs/dbraw/zinc/38/64/96/721386496.db2.gz JWYKZACWNWHLRU-LADGPHEKSA-N 1 0 429.609 1.679 20 0 IDADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164898441 721427054 /nfs/dbraw/zinc/42/70/54/721427054.db2.gz VYZQVIHJYSWEAL-XXBNENTESA-N 1 0 431.581 1.789 20 0 IDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nnc(Cl)c5c4N(C)CCO5)C3)O2)CC1 ZINC001164896045 721429107 /nfs/dbraw/zinc/42/91/07/721429107.db2.gz QJDIZKPMDHCOHG-IIBYNOLFSA-N 1 0 436.988 1.724 20 0 IDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(S(=O)(=O)NC5CC5)cn4)C3)O2)CC1 ZINC001164898000 721436359 /nfs/dbraw/zinc/43/63/59/721436359.db2.gz VKNYITHHHDRFSL-DENIHFKCSA-N 1 0 449.621 1.288 20 0 IDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(S(=O)(=O)NC5CC5)cn4)C3)O2)CC1 ZINC001164898002 721436512 /nfs/dbraw/zinc/43/65/12/721436512.db2.gz VKNYITHHHDRFSL-KNQAVFIVSA-N 1 0 449.621 1.288 20 0 IDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(C(=O)NC5CCCC5)nn4)C3)O2)CC1 ZINC001164899331 721441925 /nfs/dbraw/zinc/44/19/25/721441925.db2.gz YGYQJSONFFSLPF-RDPSFJRHSA-N 1 0 442.608 1.914 20 0 IDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4S(N)(=O)=O)C3)O2)CC1 ZINC001164899936 721443436 /nfs/dbraw/zinc/44/34/36/721443436.db2.gz ZOYPDYQMQDLERR-BEFAXECRSA-N 1 0 444.001 1.148 20 0 IDADRO COCCOC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164894347 721446322 /nfs/dbraw/zinc/44/63/22/721446322.db2.gz LUQQIUKWQVLQBH-NZQKXSOJSA-N 1 0 432.565 1.650 20 0 IDADRO COCCOC(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164894356 721446467 /nfs/dbraw/zinc/44/64/67/721446467.db2.gz LUQQIUKWQVLQBH-REWPJTCUSA-N 1 0 432.565 1.650 20 0 IDADRO C[NH+]1CCN(c2ccc(N3Cc4nccn4C[C@@H](COCc4ccccn4)C3)nn2)CC1 ZINC001164891667 721468788 /nfs/dbraw/zinc/46/87/88/721468788.db2.gz NGFHMDRMJZGGMK-LJQANCHMSA-N 1 0 434.548 1.673 20 0 IDADRO C[NH+]1CCN(c2ccc(N3Cc4nccn4C[C@H](COCc4ccccn4)C3)nn2)CC1 ZINC001164891664 721468927 /nfs/dbraw/zinc/46/89/27/721468927.db2.gz NGFHMDRMJZGGMK-IBGZPJMESA-N 1 0 434.548 1.673 20 0 IDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(-c4cc5c([nH]4)CCNC5=O)ccn2)CC3)CC1 ZINC001164794478 721513068 /nfs/dbraw/zinc/51/30/68/721513068.db2.gz QRYLHBRYBKZIHA-UHFFFAOYSA-N 1 0 446.559 1.327 20 0 IDADRO CCOC(=O)c1cc2cccnc2nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794058 721513170 /nfs/dbraw/zinc/51/31/70/721513170.db2.gz DDQBHFYCKWUTOW-UHFFFAOYSA-N 1 0 435.532 1.771 20 0 IDADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164898833 721521076 /nfs/dbraw/zinc/52/10/76/721521076.db2.gz JNHSWFKONSVOEQ-DOTOQJQBSA-N 1 0 434.903 1.843 20 0 IDADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(CN3C(=O)CCC3=O)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164806779 721566184 /nfs/dbraw/zinc/56/61/84/721566184.db2.gz RRCBRQDGDVAXBQ-YOSAUDMPSA-N 1 0 435.528 1.994 20 0 IDADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165009602 721743204 /nfs/dbraw/zinc/74/32/04/721743204.db2.gz GSOOHLJOASWYEI-UHFFFAOYSA-N 1 0 428.537 1.668 20 0 IDADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001165014191 721766214 /nfs/dbraw/zinc/76/62/14/721766214.db2.gz DYWDEZKJYMQKMY-UHFFFAOYSA-N 1 0 434.548 1.599 20 0 IDADRO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001165023626 721787315 /nfs/dbraw/zinc/78/73/15/721787315.db2.gz PZHUVUVOKILCQY-HSZRJFAPSA-N 1 0 432.565 1.646 20 0 IDADRO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+][nH]c(Cl)c5ncnc4-5)CCO3)C2)cs1 ZINC001164923544 721829632 /nfs/dbraw/zinc/82/96/32/721829632.db2.gz SDWQWQMPOZZSLK-SFHVURJKSA-N 1 0 435.941 1.879 20 0 IDADRO Cc1nc(CN2CCOC[C@]3(CN(c4ncc(C)c(C5C[NH2+]C5)n4)CCO3)C2)cs1 ZINC001164925409 721834711 /nfs/dbraw/zinc/83/47/11/721834711.db2.gz OXPCRTQSEQUWAR-OAQYLSRUSA-N 1 0 430.578 1.345 20 0 IDADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC001164922374 721875016 /nfs/dbraw/zinc/87/50/16/721875016.db2.gz GEPZUIWYYSKYHW-MOPGFXCFSA-N 1 0 431.562 1.887 20 0 IDADRO O=C(CO[C@H]1CO[C@@]2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1)N1CCCC1 ZINC001164938324 721918278 /nfs/dbraw/zinc/91/82/78/721918278.db2.gz LMYRJFWKTQDCLG-YKSBVNFPSA-N 1 0 444.576 1.933 20 0 IDADRO Cn1cccc1C(=O)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2COC[C@H]12 ZINC001164964261 722037184 /nfs/dbraw/zinc/03/71/84/722037184.db2.gz UOBNUDSOZGVKAQ-QWFCFKBJSA-N 1 0 425.533 1.528 20 0 IDADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164969919 722079760 /nfs/dbraw/zinc/07/97/60/722079760.db2.gz MXOSWUHIFKTTSD-LJQANCHMSA-N 1 0 439.894 1.584 20 0 IDADRO CC(C)C(=O)N1CCN(c2cccc(N3CC[NH+](C)CC3)n2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164976763 722088321 /nfs/dbraw/zinc/08/83/21/722088321.db2.gz WOQLWOIYGCYEID-QHCPKHFHSA-N 1 0 428.581 1.177 20 0 IDADRO Clc1nc(N2CCOCC2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978180 722106549 /nfs/dbraw/zinc/10/65/49/722106549.db2.gz FYKOQCLZRRVION-ZWKOTPCHSA-N 1 0 445.955 1.484 20 0 IDADRO CCOC(=O)c1nnc(SC)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979792 722108378 /nfs/dbraw/zinc/10/83/78/722108378.db2.gz QDMWYZYUBFCLHJ-DLBZAZTESA-N 1 0 444.561 1.893 20 0 IDADRO CN1c2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001164979837 722120949 /nfs/dbraw/zinc/12/09/49/722120949.db2.gz QIUMQURIMSXUIH-IRFCIJBXSA-N 1 0 449.559 1.544 20 0 IDADRO C[NH+]1CCN(c2cccc(-n3c([C@@H]4COCCN4)nccc3=NCc3ccco3)n2)CC1 ZINC001164986193 722173090 /nfs/dbraw/zinc/17/30/90/722173090.db2.gz JCUMRWUCFDAVCS-IBGZPJMESA-N 1 0 435.532 1.374 20 0 IDADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(N5CC[NH+](C)CC5)nn4)CC[C@H]32)cs1 ZINC001164983040 722175778 /nfs/dbraw/zinc/17/57/78/722175778.db2.gz BBTJSPGEJRKSAG-WOJBJXKFSA-N 1 0 443.621 1.863 20 0 IDADRO CN1CCN(c2ncnc3c2CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)CC3)CC1 ZINC001165001080 722239245 /nfs/dbraw/zinc/23/92/45/722239245.db2.gz BIRHPMQWNCPGKU-UHFFFAOYSA-N 1 0 438.580 1.002 20 0 IDADRO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2C1 ZINC001165004303 722244032 /nfs/dbraw/zinc/24/40/32/722244032.db2.gz NUADFKPRKWMANX-CTNGQTDRSA-N 1 0 439.560 1.872 20 0 IDADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1S(=O)(=O)CC3)CCC2 ZINC001165003498 722257873 /nfs/dbraw/zinc/25/78/73/722257873.db2.gz FGULWIREDAODAS-UHFFFAOYSA-N 1 0 440.957 1.145 20 0 IDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001165004818 722268850 /nfs/dbraw/zinc/26/88/50/722268850.db2.gz CQPNBLRIRSCTPB-HSZRJFAPSA-N 1 0 440.523 1.674 20 0 IDADRO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000500245050 1126095273 /nfs/dbraw/zinc/09/52/73/1126095273.db2.gz JJYDUBDSJQEGRU-HXUWFJFHSA-N 1 0 432.492 1.765 20 0 IDADRO OC[C@]1([NH2+]Cc2nnnn2CC2CCOCC2)CCc2cc(Br)ccc2C1 ZINC001473641246 1126198182 /nfs/dbraw/zinc/19/81/82/1126198182.db2.gz JURXOVWKSWICQN-IBGZPJMESA-N 1 0 436.354 1.872 20 0 IDADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC(=O)NC4(CC[NH2+]CC4)C3)c2c1C ZINC001164392587 718809651 /nfs/dbraw/zinc/80/96/51/718809651.db2.gz MLVRWWDAGWRAPQ-UHFFFAOYSA-N 1 0 430.578 1.199 20 0 IDADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CCN3CC[NH2+]C[C@H]3C2)C1=O ZINC001164408051 718838127 /nfs/dbraw/zinc/83/81/27/718838127.db2.gz XVGSFEXYLXBECJ-MGPUTAFESA-N 1 0 437.951 1.111 20 0 IDADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CCN3CC[NH2+]C[C@@H]3C2)C1=O ZINC001164408054 718838310 /nfs/dbraw/zinc/83/83/10/718838310.db2.gz XVGSFEXYLXBECJ-QRWLVFNGSA-N 1 0 437.951 1.111 20 0 IDADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164423068 718914659 /nfs/dbraw/zinc/91/46/59/718914659.db2.gz DPDWULQEWYGXKB-SFHVURJKSA-N 1 0 446.882 1.827 20 0 IDADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1 ZINC001164624732 719131089 /nfs/dbraw/zinc/13/10/89/719131089.db2.gz VSHATFHZNZFGDL-AWEZNQCLSA-N 1 0 440.834 1.983 20 0 IDADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164632123 719135592 /nfs/dbraw/zinc/13/55/92/719135592.db2.gz PFECSMXUMXVZCS-HNNXBMFYSA-N 1 0 431.562 1.354 20 0 IDADRO COCCN1CCN(C)C2(CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC2)C1=O ZINC001164644507 719284924 /nfs/dbraw/zinc/28/49/24/719284924.db2.gz MLCOMPZCXCQYJX-UHFFFAOYSA-N 1 0 431.581 1.219 20 0 IDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)CC2 ZINC001164683712 719725212 /nfs/dbraw/zinc/72/52/12/719725212.db2.gz CWCUWMBGVAOZDQ-UHFFFAOYSA-N 1 0 443.379 1.801 20 0 IDADRO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2cccc(OCC[NH+]3CCCC3)n2)C1 ZINC001164696944 719828751 /nfs/dbraw/zinc/82/87/51/719828751.db2.gz MQNKYXIRBDEKNO-SFHVURJKSA-N 1 0 428.537 1.152 20 0 IDADRO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164694700 719835075 /nfs/dbraw/zinc/83/50/75/719835075.db2.gz IOTABAKDYOLIGX-IBGZPJMESA-N 1 0 434.548 1.678 20 0 IDADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164703339 719848031 /nfs/dbraw/zinc/84/80/31/719848031.db2.gz QSHCEXFIAOIDFO-HRAATJIYSA-N 1 0 437.972 1.830 20 0 IDADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001164704289 719879042 /nfs/dbraw/zinc/87/90/42/719879042.db2.gz UXVKKJZISGMDJV-CVDCTZTESA-N 1 0 432.565 1.693 20 0 IDADRO O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]21 ZINC001164696575 719883731 /nfs/dbraw/zinc/88/37/31/719883731.db2.gz ACIANVSAMUPYJX-GUDVDZBRSA-N 1 0 438.532 1.684 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCC(=O)N5CCCC5)CC[C@H]43)n2)CC1 ZINC001164715227 720084846 /nfs/dbraw/zinc/08/48/46/720084846.db2.gz ZLTBARFCGAWLNQ-PWHSHALESA-N 1 0 429.565 1.209 20 0 IDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)C2 ZINC001164816534 720120313 /nfs/dbraw/zinc/12/03/13/720120313.db2.gz ZYSYECLTVUXTFJ-IUKKYPGJSA-N 1 0 426.565 1.607 20 0 IDADRO Cc1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1N1CCCC1 ZINC001164713454 720162999 /nfs/dbraw/zinc/16/29/99/720162999.db2.gz KRJCAYJUWCNARZ-LJQANCHMSA-N 1 0 426.569 1.730 20 0 IDADRO Cn1nnc2c1CCN(c1ccc(CN3CCOCC3)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713412 720168644 /nfs/dbraw/zinc/16/86/44/720168644.db2.gz JYECNXYUWVUSMK-NRFANRHFSA-N 1 0 441.580 1.259 20 0 IDADRO COC(=O)c1c(Cl)ccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715321 720170357 /nfs/dbraw/zinc/17/03/57/720170357.db2.gz UPINBTSPLPBZBY-MRXNPFEDSA-N 1 0 434.928 1.866 20 0 IDADRO COC(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cc1OC ZINC001164715606 720171182 /nfs/dbraw/zinc/17/11/82/720171182.db2.gz VFIHXGTWABJVAJ-KRWDZBQOSA-N 1 0 430.509 1.222 20 0 IDADRO COC(=O)c1c[nH]c2nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)ccc12 ZINC001164716506 720175461 /nfs/dbraw/zinc/17/54/61/720175461.db2.gz GAOCBSHHGGJTMW-GOSISDBHSA-N 1 0 439.520 1.694 20 0 IDADRO Cn1nnc2c1CCN(c1ccc(NC(=O)C(C)(C)C)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717001 720181526 /nfs/dbraw/zinc/18/15/26/720181526.db2.gz IRNVBZBLQPJLJV-QGZVFWFLSA-N 1 0 442.568 1.806 20 0 IDADRO CCOC(=O)c1ncnc(Cl)c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164714500 720194417 /nfs/dbraw/zinc/19/44/17/720194417.db2.gz FZIVYEMNYIDHJQ-OAHLLOKOSA-N 1 0 449.943 1.651 20 0 IDADRO Cn1nnc2c1CCN(c1ccnc(N3CCCCC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716634 720196579 /nfs/dbraw/zinc/19/65/79/720196579.db2.gz QLAHVQFHGVVMMU-IBGZPJMESA-N 1 0 426.569 1.812 20 0 IDADRO CCCNC(=O)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164713919 720198233 /nfs/dbraw/zinc/19/82/33/720198233.db2.gz FHLWHOIKRLQSLX-IBGZPJMESA-N 1 0 427.553 1.566 20 0 IDADRO Cn1nnc2c1CCN(c1nc(C(N)=O)cc3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715285 720198981 /nfs/dbraw/zinc/19/89/81/720198981.db2.gz KQKWNTWYUUNMKV-FQEVSTJZSA-N 1 0 435.532 1.678 20 0 IDADRO COC(=O)c1nc(Cl)cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164716284 720200880 /nfs/dbraw/zinc/20/08/80/720200880.db2.gz PTLXMEZJWVOJEL-AWEZNQCLSA-N 1 0 435.916 1.261 20 0 IDADRO Cn1nnc2c1CCN([C@@H](F)Oc1cncc(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717101 720202947 /nfs/dbraw/zinc/20/29/47/720202947.db2.gz SBQIHKFMGDFSGF-RDTXWAMCSA-N 1 0 425.896 1.602 20 0 IDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1CN(C)CC3)CCC2 ZINC001164817089 720243389 /nfs/dbraw/zinc/24/33/89/720243389.db2.gz 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429.609 1.679 20 0 IDADRO C[C@@H]1C(=O)Nc2cnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc2N1C ZINC001164887292 721414392 /nfs/dbraw/zinc/41/43/92/721414392.db2.gz LVMZRILVISDADU-YVHKJVDXSA-N 1 0 429.569 1.019 20 0 IDADRO CCNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885130 721422104 /nfs/dbraw/zinc/42/21/04/721422104.db2.gz FVHIXEBQDXBPSD-NQIIRXRSSA-N 1 0 437.610 1.145 20 0 IDADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164898432 721427103 /nfs/dbraw/zinc/42/71/03/721427103.db2.gz VYZQVIHJYSWEAL-AUSIDOKSSA-N 1 0 431.581 1.789 20 0 IDADRO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4S(C)(=O)=O)C3)O2)CC1 ZINC001164896619 721430973 /nfs/dbraw/zinc/43/09/73/721430973.db2.gz RPDRQVYWAGQSEW-OXJNMPFZSA-N 1 0 443.013 1.904 20 0 IDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(S(=O)(=O)NC5CC5)cn4)C3)O2)CC1 ZINC001164898005 721436486 /nfs/dbraw/zinc/43/64/86/721436486.db2.gz VKNYITHHHDRFSL-UGKGYDQZSA-N 1 0 449.621 1.288 20 0 IDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(C(=O)NC5CCCC5)nn4)C3)O2)CC1 ZINC001164899335 721442010 /nfs/dbraw/zinc/44/20/10/721442010.db2.gz YGYQJSONFFSLPF-YKSBVNFPSA-N 1 0 442.608 1.914 20 0 IDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CN(C)CC5)C3)O2)CC1 ZINC001164892020 721447130 /nfs/dbraw/zinc/44/71/30/721447130.db2.gz VSDBSHNRHJNULZ-JTSKRJEESA-N 1 0 435.016 1.883 20 0 IDADRO CCNC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888414 721453544 /nfs/dbraw/zinc/45/35/44/721453544.db2.gz MAJPLWVQKMRDQH-KKSFZXQISA-N 1 0 436.988 1.645 20 0 IDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)N(C)CC(=O)N3)CC2 ZINC001164789895 721461795 /nfs/dbraw/zinc/46/17/95/721461795.db2.gz YGRCAGSACGFNDV-GOSISDBHSA-N 1 0 444.580 1.599 20 0 IDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(C(=O)N(C)C)n1)CC2 ZINC001164790653 721467945 /nfs/dbraw/zinc/46/79/45/721467945.db2.gz TXLBBSOBMUXACL-LJQANCHMSA-N 1 0 431.581 1.912 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@H](CC(=O)N5CCC(F)CC5)[C@H]4C3)n2)CC1 ZINC001164891550 721478230 /nfs/dbraw/zinc/47/82/30/721478230.db2.gz CTAZYWROCIAGNY-SFHLNBCPSA-N 1 0 445.583 1.883 20 0 IDADRO CCOC(=O)c1ccc2ncnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1 ZINC001164794277 721513818 /nfs/dbraw/zinc/51/38/18/721513818.db2.gz MNFUDIBGTZONGQ-UHFFFAOYSA-N 1 0 435.532 1.771 20 0 IDADRO CCOC(=O)c1cc2ncnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2s1 ZINC001164797738 721516725 /nfs/dbraw/zinc/51/67/25/721516725.db2.gz MCEWFZDYYQOOGL-UHFFFAOYSA-N 1 0 441.561 1.832 20 0 IDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc(O[C@@H]4CCOC4)n2)CC3)CC1 ZINC001164796548 721522424 /nfs/dbraw/zinc/52/24/24/721522424.db2.gz ZRKWEUAOOPYDOS-MRXNPFEDSA-N 1 0 433.944 1.262 20 0 IDADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164795611 721522690 /nfs/dbraw/zinc/52/26/90/721522690.db2.gz PDQATDKCBFSKAW-CQSZACIVSA-N 1 0 433.944 1.371 20 0 IDADRO 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Clc1nc2c(c(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)n1)CC[NH2+]C2 ZINC001164911403 721772605 /nfs/dbraw/zinc/77/26/05/721772605.db2.gz GOXYUUZJHOCBJX-OAQYLSRUSA-N 1 0 430.940 1.279 20 0 IDADRO Clc1cc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)c2c(n1)C[NH2+]CC2 ZINC001164915622 721792252 /nfs/dbraw/zinc/79/22/52/721792252.db2.gz MBXWIPDBDRPAGW-JOCHJYFZSA-N 1 0 429.952 1.884 20 0 IDADRO COc1ccc(CN2C(=O)CO[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@@H]32)cc1 ZINC001165018301 721796291 /nfs/dbraw/zinc/79/62/91/721796291.db2.gz HOURRKTXXQUCFP-SFTDATJTSA-N 1 0 437.544 1.458 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@H](COCc5nccs5)CC[C@@H]43)nn2)CC1 ZINC001164917528 721809112 /nfs/dbraw/zinc/80/91/12/721809112.db2.gz MTHRRTSQURVPFB-XGHQBKJUSA-N 1 0 430.578 1.886 20 0 IDADRO Cc1nc(CN2CCOC[C@@]3(CN(c4ncnc5c4CC[NH2+]CC5)CCO3)C2)cs1 ZINC001164919111 721822894 /nfs/dbraw/zinc/82/28/94/721822894.db2.gz MOGLFHYCSOFNSO-NRFANRHFSA-N 1 0 430.578 1.038 20 0 IDADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc3c(n2)N(C)CC(=O)N3)CC1 ZINC001165021984 721842131 /nfs/dbraw/zinc/84/21/31/721842131.db2.gz KZRZTZFAFHAGNO-UHFFFAOYSA-N 1 0 426.521 1.983 20 0 IDADRO CCc1cc(N2CCN(Cc3nc(OC)cc(OC)n3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001165030026 721848989 /nfs/dbraw/zinc/84/89/89/721848989.db2.gz NZAHNXIMUJIXOL-UHFFFAOYSA-N 1 0 429.525 1.005 20 0 IDADRO CCOC(=O)C[C@H]1C(=O)NCCN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001165033202 721876400 /nfs/dbraw/zinc/87/64/00/721876400.db2.gz NGCGBSUYGKCNCL-HNNXBMFYSA-N 1 0 428.867 1.915 20 0 IDADRO O=C(CO[C@@H]1CO[C@@]2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1)N1CCCC1 ZINC001164938323 721918232 /nfs/dbraw/zinc/91/82/32/721918232.db2.gz LMYRJFWKTQDCLG-RDPSFJRHSA-N 1 0 444.576 1.933 20 0 IDADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@@H]21 ZINC001164949067 721961415 /nfs/dbraw/zinc/96/14/15/721961415.db2.gz SUMUZIQWVJZZQX-VQTJNVASSA-N 1 0 428.537 1.549 20 0 IDADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164969918 722079720 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GRNKJJPTBIGARZ-SFHVURJKSA-N 1 0 432.532 1.730 20 0 IDADRO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2C1 ZINC001165004309 722244048 /nfs/dbraw/zinc/24/40/48/722244048.db2.gz NUADFKPRKWMANX-TZIWHRDSSA-N 1 0 439.560 1.872 20 0 IDADRO COC(=O)c1cc2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2n1C ZINC001165003067 722255838 /nfs/dbraw/zinc/25/58/38/722255838.db2.gz YWSKHPNGTPYAQB-UHFFFAOYSA-N 1 0 427.509 1.440 20 0 IDADRO CC(C)NS(=O)(=O)c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1 ZINC001165003483 722256461 /nfs/dbraw/zinc/25/64/61/722256461.db2.gz DZWIOQWTUBLDLO-UHFFFAOYSA-N 1 0 436.582 1.453 20 0 IDADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(C(=O)NC3CCCC3)nn1)CCC2 ZINC001165003437 722257193 /nfs/dbraw/zinc/25/71/93/722257193.db2.gz CVMXNHXALZYYMN-UHFFFAOYSA-N 1 0 427.553 1.834 20 0 IDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001165003932 722261487 /nfs/dbraw/zinc/26/14/87/722261487.db2.gz MOLQGHAJFBQFGI-OAQYLSRUSA-N 1 0 430.915 1.842 20 0 IDADRO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000466895545 1126093660 /nfs/dbraw/zinc/09/36/60/1126093660.db2.gz IFQQUPHVWULCCA-OAQYLSRUSA-N 1 0 428.529 1.934 20 0 IDADRO O=C([C@@H]1C[C@H](N2CCN(c3ccc(Br)cc3)CC2)C[NH2+]1)N1CCSC1 ZINC000028889041 563068301 /nfs/dbraw/zinc/06/83/01/563068301.db2.gz OVZZZQYNYSUYJS-IRXDYDNUSA-N 1 0 425.396 1.835 20 0 IDADRO O=S(=O)(c1ccccc1)n1c(N2CCN3CC[NH2+]C[C@@H]3C2)cc2c1ncnc2Cl ZINC001164404427 718837881 /nfs/dbraw/zinc/83/78/81/718837881.db2.gz MPOGSYIWSSCPSH-CQSZACIVSA-N 1 0 432.937 1.416 20 0 IDADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)C1=O ZINC001164401524 718852733 /nfs/dbraw/zinc/85/27/33/718852733.db2.gz BHCYICWJMHYTLG-CAYVGHNUSA-N 1 0 438.935 1.035 20 0 IDADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCNC(=O)C12C[NH2+]C2 ZINC001164410802 718878141 /nfs/dbraw/zinc/87/81/41/718878141.db2.gz HICXDQGJPANERT-UHFFFAOYSA-N 1 0 437.834 1.310 20 0 IDADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCCO[C@]2(C[NH2+]CCOC2)C1 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ZINC001165022959 721779217 /nfs/dbraw/zinc/77/92/17/721779217.db2.gz SUTSWWIQUHYTNH-JQVVWYNYSA-N 1 0 427.553 1.268 20 0 IDADRO COc1ccc(CN2C(=O)CO[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@H]32)cc1 ZINC001165018299 721796077 /nfs/dbraw/zinc/79/60/77/721796077.db2.gz HOURRKTXXQUCFP-RTWAWAEBSA-N 1 0 437.544 1.458 20 0 IDADRO Cc1nc(CN2CCOC[C@@]3(CN(c4cccc(N5CCOCC5)[nH+]4)CCO3)C2)cs1 ZINC001164921074 721830336 /nfs/dbraw/zinc/83/03/36/721830336.db2.gz IAPBKZNLHXDWSK-QFIPXVFZSA-N 1 0 445.589 1.791 20 0 IDADRO Cc1nc(CN2CCOC[C@]3(CN(c4cccc(N5CCOCC5)[nH+]4)CCO3)C2)cs1 ZINC001164921067 721830344 /nfs/dbraw/zinc/83/03/44/721830344.db2.gz IAPBKZNLHXDWSK-JOCHJYFZSA-N 1 0 445.589 1.791 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CCC[C@]4(C3)COCCN(c3ncc(F)cn3)C4)nn2)CC1 ZINC001164919363 721845715 /nfs/dbraw/zinc/84/57/15/721845715.db2.gz AWWQTJKEUBMMJX-JOCHJYFZSA-N 1 0 442.543 1.281 20 0 IDADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001164929926 721857133 /nfs/dbraw/zinc/85/71/33/721857133.db2.gz QOQOHNOEONRKSG-PMACEKPBSA-N 1 0 440.573 1.883 20 0 IDADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc2ccn(S(=O)(=O)c3ccccc3)c2n1 ZINC001164926280 721876609 /nfs/dbraw/zinc/87/66/09/721876609.db2.gz RCBPYBDAQCMPSN-VQTJNVASSA-N 1 0 440.573 1.883 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CC[C@]4(C[C@H](OCC(=O)N5CCCC5)CO4)C3)n2)CC1 ZINC001164937595 721918341 /nfs/dbraw/zinc/91/83/41/721918341.db2.gz DTJYOAAAQFLCBZ-CVDCTZTESA-N 1 0 429.565 1.210 20 0 IDADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001164949065 721961390 /nfs/dbraw/zinc/96/13/90/721961390.db2.gz SUMUZIQWVJZZQX-UXHICEINSA-N 1 0 428.537 1.549 20 0 IDADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001164949069 721961547 /nfs/dbraw/zinc/96/15/47/721961547.db2.gz SUMUZIQWVJZZQX-WOJBJXKFSA-N 1 0 428.537 1.549 20 0 IDADRO C(C[NH+]1CCCC1)[C@H]1CCCCN1c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001165046155 721966334 /nfs/dbraw/zinc/96/63/34/721966334.db2.gz HPMRJRDTYSZDNZ-LJQANCHMSA-N 1 0 431.585 1.390 20 0 IDADRO c1c(N2CCOCC2)nc(N2CCOCC2)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046117 721967062 /nfs/dbraw/zinc/96/70/62/721967062.db2.gz BOVSXSCQNBVAKM-HXUWFJFHSA-N 1 0 430.597 1.995 20 0 IDADRO COC[C@]12COC[C@@H]1CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)C2 ZINC001164954478 721993850 /nfs/dbraw/zinc/99/38/50/721993850.db2.gz WESGQHVQIACFKZ-LLJLJFOGSA-N 1 0 446.592 1.980 20 0 IDADRO COC(=O)c1ncnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1OC ZINC001164966448 722062270 /nfs/dbraw/zinc/06/22/70/722062270.db2.gz TXGUMRHTNYRVBZ-UHFFFAOYSA-N 1 0 427.505 1.786 20 0 IDADRO COC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C(=O)OC ZINC001164977315 722103880 /nfs/dbraw/zinc/10/38/80/722103880.db2.gz FTPJLYUGVBYIKO-MJGOQNOKSA-N 1 0 440.500 1.777 20 0 IDADRO Clc1nc(N2CCOCC2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978178 722106645 /nfs/dbraw/zinc/10/66/45/722106645.db2.gz FYKOQCLZRRVION-QZTJIDSGSA-N 1 0 445.955 1.484 20 0 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COc1cc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000466895544 1126093709 /nfs/dbraw/zinc/09/37/09/1126093709.db2.gz IFQQUPHVWULCCA-NRFANRHFSA-N 1 0 428.529 1.934 20 0 IDADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000512334103 1126095652 /nfs/dbraw/zinc/09/56/52/1126095652.db2.gz ZRZMUXXWUFQHKA-UHFFFAOYSA-N 1 0 428.558 1.926 20 0 IDADRO O=C(c1cccnc1N1CC(=O)NC2(CC[NH2+]CC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC001164389943 718809140 /nfs/dbraw/zinc/80/91/40/718809140.db2.gz LPULJQKHCJGKDD-UHFFFAOYSA-N 1 0 448.571 1.098 20 0 IDADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001164388301 718809164 /nfs/dbraw/zinc/80/91/64/718809164.db2.gz BMBUGJLNEDLJTA-UHFFFAOYSA-N 1 0 429.855 1.300 20 0 IDADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4CC[NH2+]C[C@H]4C3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164405022 718837826 /nfs/dbraw/zinc/83/78/26/718837826.db2.gz OFBYBHLIFKAGQT-OWCLPIDISA-N 1 0 435.523 1.320 20 0 IDADRO C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@@H]4C2)n1)CCCC3)N1CCOCC1 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C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc(N3CCOCC3)n2)CC1 ZINC001164821582 720304189 /nfs/dbraw/zinc/30/41/89/720304189.db2.gz KXCDCENJZZEZOM-IAGOWNOFSA-N 1 0 449.987 1.273 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+]cnc3[n-]cc(S(C)(=O)=O)c32)CC1 ZINC001164822648 720309150 /nfs/dbraw/zinc/30/91/50/720309150.db2.gz NWCGHWBLYCYMCR-JKSUJKDBSA-N 1 0 446.577 1.273 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(S(N)(=O)=O)cc2Cl)CC1 ZINC001164825264 720312452 /nfs/dbraw/zinc/31/24/52/720312452.db2.gz SYKCEPGRYXXOMP-DLBZAZTESA-N 1 0 441.985 1.294 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(S(N)(=O)=O)cc2Cl)CC1 ZINC001164825269 720312475 /nfs/dbraw/zinc/31/24/75/720312475.db2.gz SYKCEPGRYXXOMP-IAGOWNOFSA-N 1 0 441.985 1.294 20 0 IDADRO C[C@@H]1C(=O)Nc2cnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2N1C ZINC001164833941 720320579 /nfs/dbraw/zinc/32/05/79/720320579.db2.gz YFIQNNGSPKRPRX-JLSDUUJJSA-N 1 0 427.553 1.165 20 0 IDADRO 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LQVSNYSZEZGYRS-UHFFFAOYSA-N 1 0 435.594 1.389 20 0 IDADRO Cn1cc(C(=O)N[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)[C@H]3CCCO[C@H]23)cn1 ZINC001165014457 721757112 /nfs/dbraw/zinc/75/71/12/721757112.db2.gz ZJIAFFLZMXLAPT-XQBPLPMBSA-N 1 0 440.548 1.456 20 0 IDADRO O=C([C@H]1C[C@@]2(CO1)CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2)N1CCOCC1 ZINC001165022900 721776797 /nfs/dbraw/zinc/77/67/97/721776797.db2.gz SBERHTWKCNJNOI-YKSBVNFPSA-N 1 0 444.576 1.791 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCCCn5cccn5)CC[C@@H]43)n2)CC1 ZINC001165020112 721781210 /nfs/dbraw/zinc/78/12/10/721781210.db2.gz LRGGFUWRMBLVAI-MZKRTTBSSA-N 1 0 426.565 1.873 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@H]43)nn2)CC1 ZINC001164917524 721809034 /nfs/dbraw/zinc/80/90/34/721809034.db2.gz MTHRRTSQURVPFB-CBGDNZLLSA-N 1 0 430.578 1.886 20 0 IDADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(S(N)(=O)=O)cc2F)CC1 ZINC001165031060 721845048 /nfs/dbraw/zinc/84/50/48/721845048.db2.gz PRHWOSZBZNCCOB-UHFFFAOYSA-N 1 0 438.525 1.986 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C3)COCCN(c3ncc(F)cn3)C4)n2)CC1 ZINC001164924252 721846264 /nfs/dbraw/zinc/84/62/64/721846264.db2.gz XUWSYAMXGXUKMY-QHCPKHFHSA-N 1 0 441.555 1.886 20 0 IDADRO CC(=O)Oc1cc2ncnc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c2cc1OC(C)=O ZINC001164925661 721872704 /nfs/dbraw/zinc/87/27/04/721872704.db2.gz PDNDZSPQUFISPL-RBUKOAKNSA-N 1 0 427.505 1.695 20 0 IDADRO CC(=O)Oc1cc2ncnc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2cc1OC(C)=O ZINC001164925660 721872859 /nfs/dbraw/zinc/87/28/59/721872859.db2.gz PDNDZSPQUFISPL-OALUTQOASA-N 1 0 427.505 1.695 20 0 IDADRO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCC[C@H]([NH+](C)C)C2)CN1 ZINC001165038465 721891468 /nfs/dbraw/zinc/89/14/68/721891468.db2.gz IETWPHIJQHNRHC-GMBSWORKSA-N 1 0 429.521 1.451 20 0 IDADRO COC(=O)c1cc2c(ncnc2N2CCC[C@H]([NH+](C)C)C2)n1S(=O)(=O)c1ccccc1 ZINC001165034318 721894745 /nfs/dbraw/zinc/89/47/45/721894745.db2.gz BZZXCXWUFBCLNR-HNNXBMFYSA-N 1 0 443.529 1.985 20 0 IDADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc21 ZINC001165038686 721916576 /nfs/dbraw/zinc/91/65/76/721916576.db2.gz OEBPLRDRZMKHJQ-SFHVURJKSA-N 1 0 427.530 1.969 20 0 IDADRO COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCC(C[NH+](C)C)CC2)CN1 ZINC001165042943 721945496 /nfs/dbraw/zinc/94/54/96/721945496.db2.gz ZXNLJXGEBMUXEV-YLJYHZDGSA-N 1 0 443.548 1.699 20 0 IDADRO [NH3+]C1CCN(c2ccnc(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)n2)CC1 ZINC001164948325 721976151 /nfs/dbraw/zinc/97/61/51/721976151.db2.gz XNRKEMBSGMMUDG-UHFFFAOYSA-N 1 0 435.576 1.375 20 0 IDADRO COC[C@]12COC[C@H]1CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)C2 ZINC001164954483 721994001 /nfs/dbraw/zinc/99/40/01/721994001.db2.gz WESGQHVQIACFKZ-QZTZHPFYSA-N 1 0 446.592 1.980 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cscn4)[C@H]4OCCC[C@@H]43)n2)CC1 ZINC001164950305 722000531 /nfs/dbraw/zinc/00/05/31/722000531.db2.gz HEXSWAMGEKQRIB-RIFZZMRRSA-N 1 0 428.562 1.456 20 0 IDADRO Cn1cccc1C(=O)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2COC[C@@H]12 ZINC001164964254 722037208 /nfs/dbraw/zinc/03/72/08/722037208.db2.gz UOBNUDSOZGVKAQ-NLWGTHIKSA-N 1 0 425.533 1.528 20 0 IDADRO COC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C(=O)OC ZINC001164977311 722103642 /nfs/dbraw/zinc/10/36/42/722103642.db2.gz FTPJLYUGVBYIKO-HKUYNNGSSA-N 1 0 440.500 1.777 20 0 IDADRO COC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C(=O)OC ZINC001164977317 722103889 /nfs/dbraw/zinc/10/38/89/722103889.db2.gz FTPJLYUGVBYIKO-PKOBYXMFSA-N 1 0 440.500 1.777 20 0 IDADRO Clc1nc(N2CCOCC2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978179 722106517 /nfs/dbraw/zinc/10/65/17/722106517.db2.gz FYKOQCLZRRVION-ROUUACIJSA-N 1 0 445.955 1.484 20 0 IDADRO CCOC(=O)c1cnc(OC)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971008 722112973 /nfs/dbraw/zinc/11/29/73/722112973.db2.gz BBRVAGQPNFGFEG-MJGOQNOKSA-N 1 0 427.505 1.784 20 0 IDADRO COC(=O)c1cc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2n1C ZINC001164977062 722137602 /nfs/dbraw/zinc/13/76/02/722137602.db2.gz IFARYCQRFUGHII-YLJYHZDGSA-N 1 0 436.516 1.877 20 0 IDADRO CC(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980326 722140500 /nfs/dbraw/zinc/14/05/00/722140500.db2.gz MUIZPZDHUNNACS-TZIWHRDSSA-N 1 0 445.589 1.891 20 0 IDADRO CC(C)C(=O)NCc1nnc2n1CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164990933 722190457 /nfs/dbraw/zinc/19/04/57/722190457.db2.gz XMLOQTSVXIPJSA-UHFFFAOYSA-N 1 0 427.553 1.830 20 0 IDADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994064 722209691 /nfs/dbraw/zinc/20/96/91/722209691.db2.gz FBTXAAOCVQHVAZ-OAQYLSRUSA-N 1 0 448.520 1.900 20 0 IDADRO COC(=O)c1nc2cnccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165001959 722254534 /nfs/dbraw/zinc/25/45/34/722254534.db2.gz KADZZGPOJMFFNP-UHFFFAOYSA-N 1 0 425.493 1.496 20 0 IDADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CCC2 ZINC001165004072 722257933 /nfs/dbraw/zinc/25/79/33/722257933.db2.gz MNEBLCBIMINLQX-HNNXBMFYSA-N 1 0 436.944 1.983 20 0 IDADRO COc1cc(C[NH2+][C@H](CO)Cc2ccccc2C)ccc1OCC(=O)N1CCOCC1 ZINC000466897422 1126093666 /nfs/dbraw/zinc/09/36/66/1126093666.db2.gz YHKYNHVEKAXAAR-NRFANRHFSA-N 1 0 428.529 1.934 20 0 IDADRO O=C1CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)CC2(CC[NH2+]CC2)N1 ZINC001164392219 718808841 /nfs/dbraw/zinc/80/88/41/718808841.db2.gz ZQGQKVSPYGWBBV-UHFFFAOYSA-N 1 0 426.952 1.747 20 0 IDADRO C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@H]4C2)n1)CCC3)N1CCOCC1 ZINC001164405084 718864455 /nfs/dbraw/zinc/86/44/55/718864455.db2.gz CTJDJCYVKZKSLT-RDJZCZTQSA-N 1 0 429.590 1.827 20 0 IDADRO CN1CCN(Cc2cc3nc(N4CC[C@H]5[NH2+]CC[C@@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164410459 718875794 /nfs/dbraw/zinc/87/57/94/718875794.db2.gz BQEFAMZHGHAWHH-MJGOQNOKSA-N 1 0 443.621 1.216 20 0 IDADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4[NH2+]CC[C@@H]43)c2c1C ZINC001164410907 718876051 /nfs/dbraw/zinc/87/60/51/718876051.db2.gz JLAUWTGOHAYSGI-GJZGRUSLSA-N 1 0 431.562 1.949 20 0 IDADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCNC(=O)C45C[NH2+]C5)c23)C1 ZINC001164410573 718879058 /nfs/dbraw/zinc/87/90/58/718879058.db2.gz DGTAUCFRLZTVOT-AWEZNQCLSA-N 1 0 426.590 1.690 20 0 IDADRO CN1CCN(Cc2cc3nc(N4CC[C@@H]5C[C@]5([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164417895 718896003 /nfs/dbraw/zinc/89/60/03/718896003.db2.gz AVUPSRIVROQLJX-ZHRRBRCNSA-N 1 0 443.621 1.203 20 0 IDADRO COC(=O)c1cc2c(ncnc2N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164640341 719229131 /nfs/dbraw/zinc/22/91/31/719229131.db2.gz SMWOPSADTYTBQI-GJZGRUSLSA-N 1 0 443.529 1.984 20 0 IDADRO Cc1oncc1C(=O)N[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)C[C@@H]2CCCO[C@@H]12 ZINC001164653355 719319987 /nfs/dbraw/zinc/31/99/87/719319987.db2.gz MCADTWVZQWGLNU-LRXVAGHRSA-N 1 0 440.548 1.544 20 0 IDADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc1 ZINC001164690050 719742753 /nfs/dbraw/zinc/74/27/53/719742753.db2.gz RDSGEFDWXRKTLW-QGZVFWFLSA-N 1 0 437.610 1.729 20 0 IDADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164700531 719864031 /nfs/dbraw/zinc/86/40/31/719864031.db2.gz DUPIRWAFLMMIRO-XXBNENTESA-N 1 0 432.565 1.789 20 0 IDADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164700526 719864087 /nfs/dbraw/zinc/86/40/87/719864087.db2.gz DUPIRWAFLMMIRO-AUSIDOKSSA-N 1 0 432.565 1.789 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCC(=O)N3CCCC3)n2)CC1 ZINC001164715223 720084559 /nfs/dbraw/zinc/08/45/59/720084559.db2.gz ZLTBARFCGAWLNQ-MSYCTHLASA-N 1 0 429.565 1.209 20 0 IDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCOCC3)nc3c1CCN3)C2 ZINC001164815361 720095424 /nfs/dbraw/zinc/09/54/24/720095424.db2.gz YPFDNXXEXPFCBO-FDDCHVKYSA-N 1 0 428.581 1.466 20 0 IDADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1S(N)(=O)=O)CC2 ZINC001164710714 720098862 /nfs/dbraw/zinc/09/88/62/720098862.db2.gz LHMIPDYYUCKDIF-SFHVURJKSA-N 1 0 431.562 1.632 20 0 IDADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1S(N)(=O)=O)CC2 ZINC001164710713 720099145 /nfs/dbraw/zinc/09/91/45/720099145.db2.gz LHMIPDYYUCKDIF-GOSISDBHSA-N 1 0 431.562 1.632 20 0 IDADRO CCOC(=O)c1ccc(C)c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164712291 720163757 /nfs/dbraw/zinc/16/37/57/720163757.db2.gz FEYHVKNVMOJODK-LJQANCHMSA-N 1 0 428.537 1.911 20 0 IDADRO COC(=O)c1cc(Cl)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1 ZINC001164711829 720169529 /nfs/dbraw/zinc/16/95/29/720169529.db2.gz CMQPQEORBIDJDL-INIZCTEOSA-N 1 0 434.928 1.866 20 0 IDADRO CCOC(=O)c1cc(F)cnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716488 720171649 /nfs/dbraw/zinc/17/16/49/720171649.db2.gz ZWPRGRSPJVVUDR-GOSISDBHSA-N 1 0 432.500 1.742 20 0 IDADRO CC(C)OC(=O)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nn1 ZINC001164713496 720172932 /nfs/dbraw/zinc/17/29/32/720172932.db2.gz LLMUESUNLRLMLR-SFHVURJKSA-N 1 0 429.525 1.387 20 0 IDADRO CCOC(=O)c1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ncc1C ZINC001164718254 720184405 /nfs/dbraw/zinc/18/44/05/720184405.db2.gz OAKXRXJIOJFCCB-LJQANCHMSA-N 1 0 428.537 1.911 20 0 IDADRO CC(C)c1nc(N(C)C)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164719204 720187515 /nfs/dbraw/zinc/18/75/15/720187515.db2.gz UKWJWEJWBHXANB-KRWDZBQOSA-N 1 0 429.573 1.406 20 0 IDADRO COC(=O)/C=C\c1cc(C)cnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715610 720191583 /nfs/dbraw/zinc/19/15/83/720191583.db2.gz LFGOPJVILCEDOM-PXDRNWIDSA-N 1 0 440.548 1.921 20 0 IDADRO COC(OC)c1c(CO)ccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718155 720191673 /nfs/dbraw/zinc/19/16/73/720191673.db2.gz XXFHWJZBHXLALR-GOSISDBHSA-N 1 0 446.552 1.210 20 0 IDADRO Cn1nnc2c1CCN(c1cc(C(=O)NC(C)(C)C)ccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715618 720191847 /nfs/dbraw/zinc/19/18/47/720191847.db2.gz LGAPYUPAAMWRMU-LJQANCHMSA-N 1 0 441.580 1.955 20 0 IDADRO CON(C)C(=O)c1cc(C)cnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164713388 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CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3CSCC4)CC2)C1 ZINC001164870396 721265801 /nfs/dbraw/zinc/26/58/01/721265801.db2.gz XQIOUQYTCZIHKN-UHFFFAOYSA-N 1 0 440.013 1.926 20 0 IDADRO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164869331 721271687 /nfs/dbraw/zinc/27/16/87/721271687.db2.gz KKDPISRCHPSDGX-UHFFFAOYSA-N 1 0 439.944 1.314 20 0 IDADRO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164872448 721280882 /nfs/dbraw/zinc/28/08/82/721280882.db2.gz DDDOUWLEFPRMCW-WAYWQWQTSA-N 1 0 430.549 1.583 20 0 IDADRO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164874421 721281045 /nfs/dbraw/zinc/28/10/45/721281045.db2.gz RIZUANOKOKRGQI-UHFFFAOYSA-N 1 0 433.553 1.030 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]4C3)n2)CC1 ZINC001164882152 721308374 /nfs/dbraw/zinc/30/83/74/721308374.db2.gz ZWHWXCUEFXSEPH-KDURUIRLSA-N 1 0 427.574 1.590 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CCC4(CCN(C(=O)c5cscn5)C4)CC3)nn2)CC1 ZINC001164876813 721328249 /nfs/dbraw/zinc/32/82/49/721328249.db2.gz QSYQLJSNKSSDPC-UHFFFAOYSA-N 1 0 427.578 1.818 20 0 IDADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc(S(C)(=O)=O)n4)C3)O2)CC1 ZINC001164889868 721379632 /nfs/dbraw/zinc/37/96/32/721379632.db2.gz MRJKSUBAGAFHAH-HNAYVOBHSA-N 1 0 444.001 1.299 20 0 IDADRO CCOC(=O)c1cnc(OC)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164889467 721407129 /nfs/dbraw/zinc/40/71/29/721407129.db2.gz QTXAWSITMHBZJE-VGSWGCGISA-N 1 0 433.553 1.427 20 0 IDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)c(F)c5c4C(=O)NC5)C3)O2)CC1 ZINC001164886212 721417549 /nfs/dbraw/zinc/41/75/49/721417549.db2.gz IDXZRWYQGXZGNV-QKKBWIMNSA-N 1 0 437.947 1.883 20 0 IDADRO CCNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885134 721422109 /nfs/dbraw/zinc/42/21/09/721422109.db2.gz FVHIXEBQDXBPSD-WIYYLYMNSA-N 1 0 437.610 1.145 20 0 IDADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(CN5C(=O)CCC5=O)cn4)C3)O2)CC1 ZINC001164888376 721423780 /nfs/dbraw/zinc/42/37/80/721423780.db2.gz ONFMAVFDBRFULG-GBXCKJPGSA-N 1 0 441.576 1.496 20 0 IDADRO COC(=O)c1cc2cnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2n1C ZINC001164888754 721430915 /nfs/dbraw/zinc/43/09/15/721430915.db2.gz ARWAHAMEDHEIJA-FDDCHVKYSA-N 1 0 442.564 1.520 20 0 IDADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(C(=O)NC5CCCC5)nn4)C3)O2)CC1 ZINC001164899324 721442057 /nfs/dbraw/zinc/44/20/57/721442057.db2.gz YGYQJSONFFSLPF-GBXCKJPGSA-N 1 0 442.608 1.914 20 0 IDADRO CCOC(=O)c1cnc(CC)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890230 721445186 /nfs/dbraw/zinc/44/51/86/721445186.db2.gz CNKKCNYCWNNMHQ-MBSDFSHPSA-N 1 0 431.581 1.981 20 0 IDADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(Cl)c1C(N)=O)CC2 ZINC001164783700 721462018 /nfs/dbraw/zinc/46/20/18/721462018.db2.gz FUMQHIXHLNADSS-INIZCTEOSA-N 1 0 437.972 1.963 20 0 IDADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@@H](CC(=O)N5CCC(F)CC5)[C@@H]4C3)nn2)CC1 ZINC001164893391 721476686 /nfs/dbraw/zinc/47/66/86/721476686.db2.gz IOPCXDZMZDKQTD-GGPKGHCWSA-N 1 0 446.571 1.278 20 0 IDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccnc(NC(=O)OC(C)(C)C)n2)CC3)CC1 ZINC001164794125 721511860 /nfs/dbraw/zinc/51/18/60/721511860.db2.gz GSNRJPFLEWCRMT-UHFFFAOYSA-N 1 0 428.541 1.788 20 0 IDADRO CCOC(=O)Cc1nc(Cl)cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164794502 721512794 /nfs/dbraw/zinc/51/27/94/721512794.db2.gz RMGLIBUQSXDSSV-UHFFFAOYSA-N 1 0 433.944 1.200 20 0 IDADRO CCOC(=O)c1cnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)cc1OCC ZINC001164794206 721513443 /nfs/dbraw/zinc/51/34/43/721513443.db2.gz KRXYKMIPYHNHTR-UHFFFAOYSA-N 1 0 428.537 1.621 20 0 IDADRO CN(C)c1nc(-c2ccccc2)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164797178 721515770 /nfs/dbraw/zinc/51/57/70/721515770.db2.gz ICBSSYKXXYOWGJ-UHFFFAOYSA-N 1 0 433.564 1.569 20 0 IDADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)C1=O ZINC001164798322 721517931 /nfs/dbraw/zinc/51/79/31/721517931.db2.gz RZLPYXGMRMFJIW-UHFFFAOYSA-N 1 0 444.971 1.458 20 0 IDADRO COc1cc(C(F)(F)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc(Cl)n1 ZINC001164794699 721522502 /nfs/dbraw/zinc/52/25/02/721522502.db2.gz GJZBDYJSUVTWOV-UHFFFAOYSA-N 1 0 427.887 1.648 20 0 IDADRO CCOC(=O)[C@H]1CCc2nnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)cc2C1 ZINC001164795662 721522760 /nfs/dbraw/zinc/52/27/60/721522760.db2.gz QQPHHCYXRYESJF-KRWDZBQOSA-N 1 0 439.564 1.109 20 0 IDADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CC[N@@H+]3C2)c1 ZINC001164900975 721524218 /nfs/dbraw/zinc/52/42/18/721524218.db2.gz VIJJSTFQWLXSTB-MJGOQNOKSA-N 1 0 440.523 1.762 20 0 IDADRO NC(=O)[C@@H]1CCCN1c1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncn1 ZINC001164906884 721560918 /nfs/dbraw/zinc/56/09/18/721560918.db2.gz LGPONBBACXTCMY-WDSOQIARSA-N 1 0 426.496 1.412 20 0 IDADRO NS(=O)(=O)c1ccc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907250 721561081 /nfs/dbraw/zinc/56/10/81/721561081.db2.gz NDMHUJAMMHHTST-ZFWWWQNUSA-N 1 0 426.901 1.863 20 0 IDADRO CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@@H]2CCCO[C@@H]12 ZINC001164801802 721565132 /nfs/dbraw/zinc/56/51/32/721565132.db2.gz HGPUFADMGFYVEB-YPAWHYETSA-N 1 0 436.560 1.390 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCOC[C@]4(CN(c5ccsc5)C(=O)CO4)C3)n2)CC1 ZINC001164803590 721594314 /nfs/dbraw/zinc/59/43/14/721594314.db2.gz XDGAMMFFRZMBRS-JOCHJYFZSA-N 1 0 443.573 1.534 20 0 IDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3scnc3c(N3CCOCC3)n2)CC1 ZINC001165011921 721733803 /nfs/dbraw/zinc/73/38/03/721733803.db2.gz XQGQHRZMEKSREP-UHFFFAOYSA-N 1 0 445.593 1.446 20 0 IDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 ZINC001165011416 721745806 /nfs/dbraw/zinc/74/58/06/721745806.db2.gz WYJWNGIDAGGSJL-UHFFFAOYSA-N 1 0 449.983 1.730 20 0 IDADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001165014080 721765837 /nfs/dbraw/zinc/76/58/37/721765837.db2.gz CQMHXESRTMWXPF-UHFFFAOYSA-N 1 0 434.548 1.600 20 0 IDADRO O=C([C@@H]1C[C@]2(CO1)CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2)N1CCOCC1 ZINC001165022897 721776670 /nfs/dbraw/zinc/77/66/70/721776670.db2.gz SBERHTWKCNJNOI-GBXCKJPGSA-N 1 0 444.576 1.791 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCCCn5cccn5)CC[C@H]43)n2)CC1 ZINC001165020114 721781375 /nfs/dbraw/zinc/78/13/75/721781375.db2.gz LRGGFUWRMBLVAI-VIZSFHNOSA-N 1 0 426.565 1.873 20 0 IDADRO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@H]32)cc1 ZINC001165018297 721796090 /nfs/dbraw/zinc/79/60/90/721796090.db2.gz HOURRKTXXQUCFP-NHCUHLMSSA-N 1 0 437.544 1.458 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CCC(F)(F)[C@]4(CCN(c5cnccn5)C4)C3)nn2)CC1 ZINC001164913965 721801916 /nfs/dbraw/zinc/80/19/16/721801916.db2.gz JFQUZCJGKDCRDN-HXUWFJFHSA-N 1 0 430.507 1.761 20 0 IDADRO Cc1nc(CN2CCOC[C@@]3(CN(c4ncc(C)c(C5C[NH2+]C5)n4)CCO3)C2)cs1 ZINC001164925406 721834768 /nfs/dbraw/zinc/83/47/68/721834768.db2.gz OXPCRTQSEQUWAR-NRFANRHFSA-N 1 0 430.578 1.345 20 0 IDADRO COc1cc(OC)nc(CN2CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)n1 ZINC001165030738 721849630 /nfs/dbraw/zinc/84/96/30/721849630.db2.gz UXXYSQBZFHMMDP-UHFFFAOYSA-N 1 0 428.537 1.686 20 0 IDADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC001164922377 721874922 /nfs/dbraw/zinc/87/49/22/721874922.db2.gz GEPZUIWYYSKYHW-RTBURBONSA-N 1 0 431.562 1.887 20 0 IDADRO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N(C)CC2CC[NH+](C)CC2)CN1 ZINC001165041381 721934080 /nfs/dbraw/zinc/93/40/80/721934080.db2.gz SZKRCTSTNLDNGC-XLIONFOSSA-N 1 0 443.548 1.699 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCC4(CC3)CN(Cc3cccnc3)C(=O)CO4)n2)CC1 ZINC001164951859 722002743 /nfs/dbraw/zinc/00/27/43/722002743.db2.gz OBNLEAYGEAWMJV-UHFFFAOYSA-N 1 0 436.560 1.626 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCC4(C[C@@H](C(=O)N5CCOCC5)CO4)CC3)n2)CC1 ZINC001164957332 722045474 /nfs/dbraw/zinc/04/54/74/722045474.db2.gz BFROBVKIJBOLNP-LJQANCHMSA-N 1 0 429.565 1.068 20 0 IDADRO CCNS(=O)(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964872 722057776 /nfs/dbraw/zinc/05/77/76/722057776.db2.gz YVTOUWBXWBPEPF-UHFFFAOYSA-N 1 0 445.589 1.894 20 0 IDADRO C[NH+]1CCN(c2ccc(N3C[C@H]4c5ccccc5N(S(C)(=O)=O)C[C@@H]4C3)nn2)CC1 ZINC001164974931 722089420 /nfs/dbraw/zinc/08/94/20/722089420.db2.gz ONFPDKPLDKTXIN-FUHWJXTLSA-N 1 0 428.562 1.228 20 0 IDADRO C[NH+]1CCN(c2ccc(N3C[C@H]4CN(S(C)(=O)=O)c5ccccc5[C@H]4C3)nn2)CC1 ZINC001164974935 722089449 /nfs/dbraw/zinc/08/94/49/722089449.db2.gz ONFPDKPLDKTXIN-WMZOPIPTSA-N 1 0 428.562 1.228 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(S(C)(=O)=O)c5ccccc5[C@H]4C3)n2)CC1 ZINC001164971333 722090178 /nfs/dbraw/zinc/09/01/78/722090178.db2.gz BJVZIYCOUJRNLD-MJGOQNOKSA-N 1 0 427.574 1.833 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(S(C)(=O)=O)c5ccccc5[C@@H]4C3)n2)CC1 ZINC001164971332 722090276 /nfs/dbraw/zinc/09/02/76/722090276.db2.gz BJVZIYCOUJRNLD-IEBWSBKVSA-N 1 0 427.574 1.833 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@H]4CN(S(C)(=O)=O)c5ccccc5[C@H]4C3)n2)CC1 ZINC001164971331 722090311 /nfs/dbraw/zinc/09/03/11/722090311.db2.gz BJVZIYCOUJRNLD-HKUYNNGSSA-N 1 0 427.574 1.833 20 0 IDADRO Cn1ccnc1C(=O)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164985700 722093206 /nfs/dbraw/zinc/09/32/06/722093206.db2.gz ZULHTDDDGYCHTQ-DBXWQHBBSA-N 1 0 440.548 1.456 20 0 IDADRO O=C(c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1)N1CCOCC1 ZINC001164977215 722102101 /nfs/dbraw/zinc/10/21/01/722102101.db2.gz FCRCDUXSUXMUJC-YADHBBJMSA-N 1 0 437.544 1.676 20 0 IDADRO NS(=O)(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164980478 722111702 /nfs/dbraw/zinc/11/17/02/722111702.db2.gz RIBBTGQQPAYIHN-MAUKXSAKSA-N 1 0 437.953 1.505 20 0 IDADRO COC(=O)c1cc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2n1C ZINC001164977061 722137699 /nfs/dbraw/zinc/13/76/99/722137699.db2.gz IFARYCQRFUGHII-XLIONFOSSA-N 1 0 436.516 1.877 20 0 IDADRO CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983781 722139502 /nfs/dbraw/zinc/13/95/02/722139502.db2.gz UUYGLIVIBGRSSD-QUCCMNQESA-N 1 0 431.562 1.454 20 0 IDADRO CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164983782 722139695 /nfs/dbraw/zinc/13/96/95/722139695.db2.gz UUYGLIVIBGRSSD-UYAOXDASSA-N 1 0 431.562 1.454 20 0 IDADRO CCNS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164984637 722140671 /nfs/dbraw/zinc/14/06/71/722140671.db2.gz YDBXFDPCKZCBNZ-QUCCMNQESA-N 1 0 431.562 1.502 20 0 IDADRO Cn1nc(C(=O)N2CCOCC2)c2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164973166 722159898 /nfs/dbraw/zinc/15/98/98/722159898.db2.gz LMEMPRWQYHALEB-UHFFFAOYSA-N 1 0 426.521 1.282 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCC[C@]4(CC(C(=O)NCc5ccncc5)=NO4)C3)n2)CC1 ZINC001164994932 722218479 /nfs/dbraw/zinc/21/84/79/722218479.db2.gz FAQLQLZQGCWMNG-DEOSSOPVSA-N 1 0 449.559 1.660 20 0 IDADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(S(=O)(=O)N3CCCC3)cn1)CCC2 ZINC001165003859 722256465 /nfs/dbraw/zinc/25/64/65/722256465.db2.gz KAUGNJBPNWAGOD-UHFFFAOYSA-N 1 0 448.593 1.551 20 0 IDADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)C[N@@H+]2C ZINC001165005327 722261236 /nfs/dbraw/zinc/26/12/36/722261236.db2.gz VJTAVALJSWGWAI-QFIPXVFZSA-N 1 0 438.463 1.763 20 0 IDADRO COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)ccc1OCC(=O)N1CCOCC1 ZINC000466897423 1126093705 /nfs/dbraw/zinc/09/37/05/1126093705.db2.gz YHKYNHVEKAXAAR-OAQYLSRUSA-N 1 0 428.529 1.934 20 0 IDADRO O=C1CN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CC2(CC[NH2+]CC2)N1 ZINC001164392825 718809625 /nfs/dbraw/zinc/80/96/25/718809625.db2.gz PAXVWNMTCPFKLA-UHFFFAOYSA-N 1 0 442.589 1.071 20 0 IDADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416414 718884892 /nfs/dbraw/zinc/88/48/92/718884892.db2.gz WESMPNMSKFXFNL-UHFFFAOYSA-N 1 0 427.843 1.542 20 0 IDADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c2c1C ZINC001164423806 718916631 /nfs/dbraw/zinc/91/66/31/718916631.db2.gz JMVIMIDPUOCWJM-QFIPXVFZSA-N 1 0 447.605 1.726 20 0 IDADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]4[NH2+]C[C@H]43)c2c1C ZINC001164447652 719000413 /nfs/dbraw/zinc/00/04/13/719000413.db2.gz CYXWVBVKPGNCPJ-LSDHHAIUSA-N 1 0 431.562 1.949 20 0 IDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001164616491 719013813 /nfs/dbraw/zinc/01/38/13/719013813.db2.gz KVFTYNPLVZWAGZ-FRRDWIJNSA-N 1 0 431.871 1.241 20 0 IDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(S(=O)(=O)CC)c1 ZINC001164617813 719020029 /nfs/dbraw/zinc/02/00/29/719020029.db2.gz PZYXDSARSDNPRC-KGYLQXTDSA-N 1 0 437.896 1.803 20 0 IDADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4cc(C(=O)OC)n(C)c4n3)CC2)CC1 ZINC001164617422 719030861 /nfs/dbraw/zinc/03/08/61/719030861.db2.gz LPNBWOZBWAWYKT-UHFFFAOYSA-N 1 0 429.521 1.999 20 0 IDADRO CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)C(=O)N(CCOC)CCN4C)[nH+]cc21 ZINC001164639144 719279199 /nfs/dbraw/zinc/27/91/99/719279199.db2.gz IGNVPILEUSDVKW-UHFFFAOYSA-N 1 0 429.521 1.499 20 0 IDADRO CN(C)C(=O)COCc1noc2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164662565 719341549 /nfs/dbraw/zinc/34/15/49/719341549.db2.gz PGWHWKRDYJBSNB-UHFFFAOYSA-N 1 0 429.521 1.712 20 0 IDADRO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164674351 719422931 /nfs/dbraw/zinc/42/29/31/719422931.db2.gz WKSGXKGCJQQFTA-SRABZTEZSA-N 1 0 436.507 1.745 20 0 IDADRO CCOC(=O)c1cnc(N2CCOCC2)nc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683577 719631292 /nfs/dbraw/zinc/63/12/92/719631292.db2.gz TTXVDRCSZAFSOY-UHFFFAOYSA-N 1 0 443.552 1.162 20 0 IDADRO CCOC(=O)[C@H]1CCCN(c2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nn2)C1 ZINC001164679754 719640830 /nfs/dbraw/zinc/64/08/30/719640830.db2.gz LXPOSGUDIUIILB-KRWDZBQOSA-N 1 0 441.580 1.928 20 0 IDADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(C(N)=O)n3)CC2)c2ccccc21 ZINC001164680301 719660272 /nfs/dbraw/zinc/66/02/72/719660272.db2.gz FEOHDHAGMWXVLY-KRWDZBQOSA-N 1 0 436.560 1.669 20 0 IDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc(N3CCC(C(=O)OC)CC3)n1)CC2 ZINC001164686618 719731694 /nfs/dbraw/zinc/73/16/94/719731694.db2.gz QFSXAQIGISEEAX-UHFFFAOYSA-N 1 0 430.553 1.047 20 0 IDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1cc(C(=O)OC)n3C)CC2 ZINC001164690315 719736025 /nfs/dbraw/zinc/73/60/25/719736025.db2.gz ZPFBPPPOUWENEO-UHFFFAOYSA-N 1 0 434.928 1.589 20 0 IDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)CC2 ZINC001164689610 719740281 /nfs/dbraw/zinc/74/02/81/719740281.db2.gz JDUCQGVYUXKZNT-UHFFFAOYSA-N 1 0 435.594 1.437 20 0 IDADRO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc1 ZINC001164689822 719742670 /nfs/dbraw/zinc/74/26/70/719742670.db2.gz KMVZOKSGXQSNAJ-UHFFFAOYSA-N 1 0 437.610 1.729 20 0 IDADRO NC(=O)[C@H]1CCCN1c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncn1 ZINC001164706329 719900829 /nfs/dbraw/zinc/90/08/29/719900829.db2.gz HXOJQAMAWTVIIP-GOSISDBHSA-N 1 0 442.589 1.864 20 0 IDADRO O=C([C@@H]1COC[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]21)N1CCCCO1 ZINC001164707539 719919538 /nfs/dbraw/zinc/91/95/38/719919538.db2.gz SVXDHVZFHQRYEN-HSALFYBXSA-N 1 0 430.549 1.809 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)c4cnccn4)C3)n2)CC1 ZINC001164716743 720054156 /nfs/dbraw/zinc/05/41/56/720054156.db2.gz WXEOQBWGPASBGT-LQBOVUBWSA-N 1 0 437.548 1.037 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](OCC(=O)N5CCCC5)CC[C@@H]43)n2)CC1 ZINC001164715347 720084716 /nfs/dbraw/zinc/08/47/16/720084716.db2.gz ZLTBARFCGAWLNQ-YDHSSHFGSA-N 1 0 429.565 1.209 20 0 IDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(ncn3C)c(N3CCOCC3)n1)C2 ZINC001164808052 720095228 /nfs/dbraw/zinc/09/52/28/720095228.db2.gz HHXJQNIHHYBVQA-MBSDFSHPSA-N 1 0 441.580 1.385 20 0 IDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCOCC3)nc3c1CCN3)C2 ZINC001164815363 720095491 /nfs/dbraw/zinc/09/54/91/720095491.db2.gz YPFDNXXEXPFCBO-MBSDFSHPSA-N 1 0 428.581 1.466 20 0 IDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)C2 ZINC001164816536 720120424 /nfs/dbraw/zinc/12/04/24/720120424.db2.gz ZYSYECLTVUXTFJ-YZZKKUAISA-N 1 0 426.565 1.607 20 0 IDADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(S(N)(=O)=O)cc1F)CC2 ZINC001164712308 720156711 /nfs/dbraw/zinc/15/67/11/720156711.db2.gz FMUPHZNESVKELU-KRWDZBQOSA-N 1 0 449.552 1.771 20 0 IDADRO CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164818426 720160385 /nfs/dbraw/zinc/16/03/85/720160385.db2.gz SQYJZGYTAWTEPJ-VZTUKOKBSA-N 1 0 436.578 1.575 20 0 IDADRO CCOC(=O)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1C ZINC001164713508 720165090 /nfs/dbraw/zinc/16/50/90/720165090.db2.gz LPWRANFVUNZKIW-LJQANCHMSA-N 1 0 428.537 1.911 20 0 IDADRO Cn1nnc2c1CCN(c1ccc(N3CCCCC3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713409 720165526 /nfs/dbraw/zinc/16/55/26/720165526.db2.gz JXWMNJCSLSTFQN-IBGZPJMESA-N 1 0 426.569 1.812 20 0 IDADRO CCOC(=O)c1cnc(C)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715877 720175451 /nfs/dbraw/zinc/17/54/51/720175451.db2.gz CUXNUNDDUVVORP-SFHVURJKSA-N 1 0 429.525 1.306 20 0 IDADRO COC(=O)c1c(C)cc(C)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164717636 720180691 /nfs/dbraw/zinc/18/06/91/720180691.db2.gz KXXBNLCJWZJXFC-SFHVURJKSA-N 1 0 428.537 1.830 20 0 IDADRO CCOC(=O)c1c(C)ncnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715944 720183388 /nfs/dbraw/zinc/18/33/88/720183388.db2.gz FCANXGKJYRCPRX-KRWDZBQOSA-N 1 0 429.525 1.306 20 0 IDADRO C[C@H]1CC(=O)Nc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c21 ZINC001164715460 720183693 /nfs/dbraw/zinc/18/36/93/720183693.db2.gz CPQDCNGYBNZPNV-HOCLYGCPSA-N 1 0 426.525 1.267 20 0 IDADRO CCOC(=O)c1ncnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1C ZINC001164717027 720185524 /nfs/dbraw/zinc/18/55/24/720185524.db2.gz JGQLPLWCYJEEQK-QGZVFWFLSA-N 1 0 429.525 1.306 20 0 IDADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164719859 720186726 /nfs/dbraw/zinc/18/67/26/720186726.db2.gz XLWKYPJJYOWDGM-MRXNPFEDSA-N 1 0 440.508 1.089 20 0 IDADRO CNC(=O)c1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)ccc1Cl ZINC001164716554 720188048 /nfs/dbraw/zinc/18/80/48/720188048.db2.gz HFURVCJHKXAWLB-INIZCTEOSA-N 1 0 433.944 1.439 20 0 IDADRO CN(C)C(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(Cl)c1 ZINC001164713754 720198246 /nfs/dbraw/zinc/19/82/46/720198246.db2.gz CXKQOALDDHVSDT-SFHVURJKSA-N 1 0 447.971 1.782 20 0 IDADRO COC(=O)CSc1cncc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164718143 720199776 /nfs/dbraw/zinc/19/97/76/720199776.db2.gz XQOOPSUKJQYGNQ-INIZCTEOSA-N 1 0 447.565 1.086 20 0 IDADRO CCNS(=O)(=O)c1cccnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813248 720228546 /nfs/dbraw/zinc/22/85/46/720228546.db2.gz LZKNWXMPUBSDED-UHFFFAOYSA-N 1 0 434.566 1.187 20 0 IDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(Cl)c3c1N(C)CCO3)CCC2 ZINC001164814564 720233245 /nfs/dbraw/zinc/23/32/45/720233245.db2.gz YXOVWGOMOFVQQA-UHFFFAOYSA-N 1 0 433.944 1.766 20 0 IDADRO Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(N3CC[NH+](C)CC3)nn2)cs1 ZINC001164816348 720251226 /nfs/dbraw/zinc/25/12/26/720251226.db2.gz IGWHJHFSZARGRZ-ZWKOTPCHSA-N 1 0 427.578 1.763 20 0 IDADRO C[NH+](C)Cc1ccnc(N2CCOC[C@@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)c1 ZINC001164817607 720274343 /nfs/dbraw/zinc/27/43/43/720274343.db2.gz DWVUEJXYCJEVTM-PGRDOPGGSA-N 1 0 426.521 1.118 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC001164819209 720294854 /nfs/dbraw/zinc/29/48/54/720294854.db2.gz CWVXCQKRSLYIKK-SFTDATJTSA-N 1 0 441.576 1.466 20 0 IDADRO CCOC(=O)c1nnc(SC)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825888 720307494 /nfs/dbraw/zinc/30/74/94/720307494.db2.gz UEGIKPVZANQXEO-JKSUJKDBSA-N 1 0 448.593 1.682 20 0 IDADRO COC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819631 720310352 /nfs/dbraw/zinc/31/03/52/720310352.db2.gz FIZYDNXUVUSJRG-SJORKVTESA-N 1 0 435.956 1.757 20 0 IDADRO C[C@@H]1C(=O)Nc2cnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2N1C ZINC001164833943 720320294 /nfs/dbraw/zinc/32/02/94/720320294.db2.gz YFIQNNGSPKRPRX-OLMNPRSZSA-N 1 0 427.553 1.165 20 0 IDADRO 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COC(=O)[C@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N(C)CC2CC[NH+](C)CC2)CN1 ZINC001165041379 721933966 /nfs/dbraw/zinc/93/39/66/721933966.db2.gz SZKRCTSTNLDNGC-FXAWDEMLSA-N 1 0 443.548 1.699 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)nn2)CC1 ZINC001164944379 721970082 /nfs/dbraw/zinc/97/00/82/721970082.db2.gz IBUQZKMZIFRKAM-UHFFFAOYSA-N 1 0 435.576 1.199 20 0 IDADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945779 721970887 /nfs/dbraw/zinc/97/08/87/721970887.db2.gz RVMZSSWHVRJXPB-UHFFFAOYSA-N 1 0 434.500 1.667 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cscn4)[C@@H]4OCCC[C@H]43)n2)CC1 ZINC001164950306 722000628 /nfs/dbraw/zinc/00/06/28/722000628.db2.gz HEXSWAMGEKQRIB-VPWXQRGCSA-N 1 0 428.562 1.456 20 0 IDADRO NS(=O)(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(F)c1 ZINC001164966937 722062490 /nfs/dbraw/zinc/06/24/90/722062490.db2.gz ZPLZXNJFUZSQHR-UHFFFAOYSA-N 1 0 435.525 1.382 20 0 IDADRO Cn1ccnc1C(=O)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164985707 722093403 /nfs/dbraw/zinc/09/34/03/722093403.db2.gz ZULHTDDDGYCHTQ-LVCYWYKZSA-N 1 0 440.548 1.456 20 0 IDADRO CCOC(=O)c1nnc(SC)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979793 722108170 /nfs/dbraw/zinc/10/81/70/722108170.db2.gz QDMWYZYUBFCLHJ-IAGOWNOFSA-N 1 0 444.561 1.893 20 0 IDADRO COC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981101 722109710 /nfs/dbraw/zinc/10/97/10/722109710.db2.gz SODRAUXZVLNJBR-WMZOPIPTSA-N 1 0 431.924 1.968 20 0 IDADRO COC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981098 722109732 /nfs/dbraw/zinc/10/97/32/722109732.db2.gz SODRAUXZVLNJBR-AEFFLSMTSA-N 1 0 431.924 1.968 20 0 IDADRO CCOC(=O)c1cnc(OC)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971004 722112646 /nfs/dbraw/zinc/11/26/46/722112646.db2.gz BBRVAGQPNFGFEG-HKUYNNGSSA-N 1 0 427.505 1.784 20 0 IDADRO CN1c2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001164979842 722120358 /nfs/dbraw/zinc/12/03/58/722120358.db2.gz QIUMQURIMSXUIH-ZJOUEHCJSA-N 1 0 449.559 1.544 20 0 IDADRO CN(C)S(=O)(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983780 722139780 /nfs/dbraw/zinc/13/97/80/722139780.db2.gz UUYGLIVIBGRSSD-ICSRJNTNSA-N 1 0 431.562 1.454 20 0 IDADRO COC(=O)CSc1cncc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977082 722147456 /nfs/dbraw/zinc/14/74/56/722147456.db2.gz IPMGNHJELTYMCQ-ZWKOTPCHSA-N 1 0 429.546 1.864 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CC[C@@]4(CC(=O)N(c5ccc6c(c5)OCO6)C4)C3)nn2)CC1 ZINC001165000839 722219308 /nfs/dbraw/zinc/21/93/08/722219308.db2.gz ZVJGVQYHEJKFCE-HSZRJFAPSA-N 1 0 436.516 1.591 20 0 IDADRO CCOC(=O)N1CCc2nnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)cc2C1 ZINC001165004124 722256633 /nfs/dbraw/zinc/25/66/33/722256633.db2.gz NFKAWKFQYUBNRV-UHFFFAOYSA-N 1 0 443.552 1.676 20 0 IDADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CCC2 ZINC001165004074 722257854 /nfs/dbraw/zinc/25/78/54/722257854.db2.gz MNEBLCBIMINLQX-OAHLLOKOSA-N 1 0 436.944 1.983 20 0 IDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001165003059 722259848 /nfs/dbraw/zinc/25/98/48/722259848.db2.gz BTOMSIXLCYKGLS-OAQYLSRUSA-N 1 0 430.915 1.842 20 0 IDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001165003056 722259907 /nfs/dbraw/zinc/25/99/07/722259907.db2.gz BTOMSIXLCYKGLS-NRFANRHFSA-N 1 0 430.915 1.842 20 0 IDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001165006489 722265927 /nfs/dbraw/zinc/26/59/27/722265927.db2.gz KFFGVHAHUCQFJT-DEOSSOPVSA-N 1 0 438.551 1.900 20 0 IDADRO COc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)ccc1OCC(=O)N1CCOCC1 ZINC000553454876 1126097026 /nfs/dbraw/zinc/09/70/26/1126097026.db2.gz WTHJMGLUKBPLJU-UHFFFAOYSA-N 1 0 426.513 1.552 20 0 IDADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000009405414 132314933 /nfs/dbraw/zinc/31/49/33/132314933.db2.gz ZSWWIVCWXWADGL-UHFFFAOYSA-N 1 0 447.561 1.050 20 0 IDADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CC(C)C)CC1 ZINC000034867716 563088369 /nfs/dbraw/zinc/08/83/69/563088369.db2.gz JOQHDWKKARRRLV-UHFFFAOYSA-N 1 0 438.594 1.834 20 0 IDADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)C1=O ZINC001164401526 718852763 /nfs/dbraw/zinc/85/27/63/718852763.db2.gz BHCYICWJMHYTLG-QTJFZDIUSA-N 1 0 438.935 1.035 20 0 IDADRO O=C1NCCN(C(F)(F)Oc2cccc(COc3cncc(Cl)n3)c2)C12C[NH2+]C2 ZINC001164413810 718879269 /nfs/dbraw/zinc/87/92/69/718879269.db2.gz NRFFTRMAVOLPOE-UHFFFAOYSA-N 1 0 425.823 1.412 20 0 IDADRO CN1CCN(Cc2cc3nc(N4CCC[C@@H]5[NH2+]C[C@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164450358 718999504 /nfs/dbraw/zinc/99/95/04/718999504.db2.gz VDJODPNMNWOSOJ-PKOBYXMFSA-N 1 0 443.621 1.216 20 0 IDADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]4[NH2+]C[C@@H]43)c2c1C ZINC001164447649 719000297 /nfs/dbraw/zinc/00/02/97/719000297.db2.gz CYXWVBVKPGNCPJ-CABCVRRESA-N 1 0 431.562 1.949 20 0 IDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCOCC2)nc2sc(C)c(C)c21 ZINC001164613867 719017585 /nfs/dbraw/zinc/01/75/85/719017585.db2.gz AAIKNRBBZHNVKV-ULQDDVLXSA-N 1 0 445.589 1.870 20 0 IDADRO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164674343 719423738 /nfs/dbraw/zinc/42/37/38/719423738.db2.gz WKSGXKGCJQQFTA-FSDCSDTHSA-N 1 0 436.507 1.745 20 0 IDADRO COC(=O)C1CCN(c2ccnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)n2)CC1 ZINC001164684642 719631463 /nfs/dbraw/zinc/63/14/63/719631463.db2.gz VRACOYGVOQZXDN-UHFFFAOYSA-N 1 0 427.553 1.538 20 0 IDADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)c2c1CC[NH2+]C2 ZINC001164680620 719634569 /nfs/dbraw/zinc/63/45/69/719634569.db2.gz YTNZICFJYCTEEU-UHFFFAOYSA-N 1 0 448.927 1.662 20 0 IDADRO CC(C)N(C)Cc1nn(-c2ccc(S(=O)(=O)N3CCCCC3)cn2)c2c1CC[NH2+]C2 ZINC001164680173 719638200 /nfs/dbraw/zinc/63/82/00/719638200.db2.gz RETNCALAMUBOQF-UHFFFAOYSA-N 1 0 432.594 1.928 20 0 IDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)CC2 ZINC001164690090 719742241 /nfs/dbraw/zinc/74/22/41/719742241.db2.gz SHBWXQJRPXKRBD-UHFFFAOYSA-N 1 0 428.537 1.093 20 0 IDADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc1 ZINC001164690049 719742860 /nfs/dbraw/zinc/74/28/60/719742860.db2.gz RDSGEFDWXRKTLW-KRWDZBQOSA-N 1 0 437.610 1.729 20 0 IDADRO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)nn2)C1 ZINC001164689338 719743164 /nfs/dbraw/zinc/74/31/64/719743164.db2.gz BMUUNLJCBXEFAC-SFHVURJKSA-N 1 0 444.580 1.437 20 0 IDADRO CCOC(=O)c1ccnc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)c1C(=O)OCC ZINC001164691707 719758623 /nfs/dbraw/zinc/75/86/23/719758623.db2.gz QHJPBVKKYXGOIO-UHFFFAOYSA-N 1 0 432.521 1.616 20 0 IDADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164703341 719848290 /nfs/dbraw/zinc/84/82/90/719848290.db2.gz QSHCEXFIAOIDFO-IIBYNOLFSA-N 1 0 437.972 1.830 20 0 IDADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001164707171 719876613 /nfs/dbraw/zinc/87/66/13/719876613.db2.gz QWVVNOHWVPBCGN-MBSDFSHPSA-N 1 0 432.565 1.787 20 0 IDADRO NC(=O)[C@@H]1CCCN1c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncn1 ZINC001164706330 719900753 /nfs/dbraw/zinc/90/07/53/719900753.db2.gz HXOJQAMAWTVIIP-SFHVURJKSA-N 1 0 442.589 1.864 20 0 IDADRO CNS(=O)(=O)c1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713536 720140726 /nfs/dbraw/zinc/14/07/26/720140726.db2.gz RMERCVZVQNTRSJ-LJQANCHMSA-N 1 0 445.589 1.892 20 0 IDADRO CCOC(=O)c1cc(F)cnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716489 720172262 /nfs/dbraw/zinc/17/22/62/720172262.db2.gz ZWPRGRSPJVVUDR-SFHVURJKSA-N 1 0 432.500 1.742 20 0 IDADRO CC(C)OC(=O)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nn1 ZINC001164713495 720172978 /nfs/dbraw/zinc/17/29/78/720172978.db2.gz LLMUESUNLRLMLR-GOSISDBHSA-N 1 0 429.525 1.387 20 0 IDADRO CCOC(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1C ZINC001164715911 720180026 /nfs/dbraw/zinc/18/00/26/720180026.db2.gz DLBOSJGCDRALKP-SFHVURJKSA-N 1 0 429.525 1.306 20 0 IDADRO COC(=O)c1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ccc1Cl ZINC001164715915 720180697 /nfs/dbraw/zinc/18/06/97/720180697.db2.gz DNVCMOMNGKFRFI-MRXNPFEDSA-N 1 0 434.928 1.866 20 0 IDADRO CCOC(=O)c1cc(C)cnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715900 720182958 /nfs/dbraw/zinc/18/29/58/720182958.db2.gz DFFLJUXVCSTWKU-IBGZPJMESA-N 1 0 428.537 1.911 20 0 IDADRO COC(=O)c1nc(Cl)cnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719215 720183866 /nfs/dbraw/zinc/18/38/66/720183866.db2.gz USLABPWDAOVHGP-CQSZACIVSA-N 1 0 435.916 1.261 20 0 IDADRO CCOC(=O)c1c(C)ncnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715945 720183970 /nfs/dbraw/zinc/18/39/70/720183970.db2.gz FCANXGKJYRCPRX-QGZVFWFLSA-N 1 0 429.525 1.306 20 0 IDADRO C[C@H]1CC(=O)Nc2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c21 ZINC001164715459 720184017 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Cc1cc(NC(=O)c2cccnc2N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)no1 ZINC001164797783 721518694 /nfs/dbraw/zinc/51/86/94/721518694.db2.gz NCDQSDOGRLFHNO-UHFFFAOYSA-N 1 0 436.520 1.594 20 0 IDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)CC3)CC1 ZINC001164799220 721519242 /nfs/dbraw/zinc/51/92/42/721519242.db2.gz ZHUNZQCCCRKVLZ-UHFFFAOYSA-N 1 0 447.543 1.879 20 0 IDADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CC[N@@H+]3C2)c1 ZINC001164900974 721524546 /nfs/dbraw/zinc/52/45/46/721524546.db2.gz VIJJSTFQWLXSTB-IEBWSBKVSA-N 1 0 440.523 1.762 20 0 IDADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(CN3C(=O)CCC3=O)cn2)[C@H]2CCCO[C@H]12 ZINC001164806777 721566321 /nfs/dbraw/zinc/56/63/21/721566321.db2.gz RRCBRQDGDVAXBQ-ROKPMTFOSA-N 1 0 435.528 1.994 20 0 IDADRO COc1nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(N2CCCCCC2)n1 ZINC001165010859 721744257 /nfs/dbraw/zinc/74/42/57/721744257.db2.gz PSVYIAYCFVQACJ-UHFFFAOYSA-N 1 0 431.585 1.784 20 0 IDADRO CCOC(=O)c1ccnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1C(=O)OCC ZINC001165013253 721750296 /nfs/dbraw/zinc/75/02/96/721750296.db2.gz VVRROQCPYULRMH-UHFFFAOYSA-N 1 0 446.548 1.958 20 0 IDADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001165014077 721765817 /nfs/dbraw/zinc/76/58/17/721765817.db2.gz CJXYHTNOFAJJGE-UHFFFAOYSA-N 1 0 434.548 1.600 20 0 IDADRO c1cncc(CN2CCOC[C@]3(CN(c4cccc(N5CCOCC5)[nH+]4)CCO3)C2)c1 ZINC001164914538 721790129 /nfs/dbraw/zinc/79/01/29/721790129.db2.gz DWJJHGIHBLPSMD-HSZRJFAPSA-N 1 0 425.533 1.421 20 0 IDADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001164929934 721857305 /nfs/dbraw/zinc/85/73/05/721857305.db2.gz QOQOHNOEONRKSG-VQTJNVASSA-N 1 0 440.573 1.883 20 0 IDADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC001164922375 721874848 /nfs/dbraw/zinc/87/48/48/721874848.db2.gz GEPZUIWYYSKYHW-OALUTQOASA-N 1 0 431.562 1.887 20 0 IDADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc2ccn(S(=O)(=O)c3ccccc3)c2n1 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COC(=O)C1CCN(c2nccnc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)CC1 ZINC001165009443 721741600 /nfs/dbraw/zinc/74/16/00/721741600.db2.gz DHQNWHSAGQQLHY-UHFFFAOYSA-N 1 0 444.580 1.389 20 0 IDADRO CCOC(=O)[C@H]1CCc2nnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)cc2C1 ZINC001165012132 721750703 /nfs/dbraw/zinc/75/07/03/721750703.db2.gz AGJDPFSBSNEZEP-KRWDZBQOSA-N 1 0 429.565 1.668 20 0 IDADRO Cn1cc(C(=O)N[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)[C@@H]3CCCO[C@H]23)cn1 ZINC001165014455 721757411 /nfs/dbraw/zinc/75/74/11/721757411.db2.gz ZJIAFFLZMXLAPT-WOIUINJBSA-N 1 0 440.548 1.456 20 0 IDADRO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)n4)C[C@@H]32)cc1 ZINC001165018294 721796004 /nfs/dbraw/zinc/79/60/04/721796004.db2.gz HOURRKTXXQUCFP-LEWJYISDSA-N 1 0 437.544 1.458 20 0 IDADRO Cc1nc(CN2CCOC[C@]3(CN(c4ccc(N5CC[NH2+]CC5)cn4)CCO3)C2)cs1 ZINC001164920469 721830868 /nfs/dbraw/zinc/83/08/68/721830868.db2.gz FDDRAYZOOSFBGE-JOCHJYFZSA-N 1 0 444.605 1.364 20 0 IDADRO 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O=S(=O)(c1ccccc1)n1ccc2cnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc21 ZINC001164967746 722074768 /nfs/dbraw/zinc/07/47/68/722074768.db2.gz UTEGLDSATLSCTJ-KDURUIRLSA-N 1 0 439.541 1.968 20 0 IDADRO CCNS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983684 722128046 /nfs/dbraw/zinc/12/80/46/722128046.db2.gz YZZNQHHBPHQGEZ-RTBURBONSA-N 1 0 431.562 1.502 20 0 IDADRO COC(=O)c1cc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2n1C ZINC001164977060 722137899 /nfs/dbraw/zinc/13/78/99/722137899.db2.gz IFARYCQRFUGHII-PXNSSMCTSA-N 1 0 436.516 1.877 20 0 IDADRO O=S(=O)(NC1CC1)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164972837 722143014 /nfs/dbraw/zinc/14/30/14/722143014.db2.gz AXIWHFDEDXLING-RXVVDRJESA-N 1 0 443.573 1.645 20 0 IDADRO O=S(=O)(NC1CC1)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164972839 722143082 /nfs/dbraw/zinc/14/30/82/722143082.db2.gz AXIWHFDEDXLING-WIYYLYMNSA-N 1 0 443.573 1.645 20 0 IDADRO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(N5CC[NH+](C)CC5)nn4)CC[C@@H]32)cs1 ZINC001164983037 722175780 /nfs/dbraw/zinc/17/57/80/722175780.db2.gz BBTJSPGEJRKSAG-PMACEKPBSA-N 1 0 443.621 1.863 20 0 IDADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(N5CC[NH+](C)CC5)nn4)CC[C@@H]32)cs1 ZINC001164983039 722175797 /nfs/dbraw/zinc/17/57/97/722175797.db2.gz BBTJSPGEJRKSAG-VQTJNVASSA-N 1 0 443.621 1.863 20 0 IDADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@H]32)cs1 ZINC001164991236 722182910 /nfs/dbraw/zinc/18/29/10/722182910.db2.gz PMAWXCHMHAHBTL-RTBURBONSA-N 1 0 429.594 1.521 20 0 IDADRO C[N@H+](Cc1ccc(N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)nc1)C1CC1 ZINC001165005101 722241698 /nfs/dbraw/zinc/24/16/98/722241698.db2.gz RMRNTFTZRDXGMP-GOSISDBHSA-N 1 0 432.532 1.729 20 0 IDADRO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]2C1 ZINC001165004308 722243864 /nfs/dbraw/zinc/24/38/64/722243864.db2.gz NUADFKPRKWMANX-PZJWPPBQSA-N 1 0 439.560 1.872 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCO[C@]4(CCCN(C(=O)c5ccco5)C4)C3)n2)CC1 ZINC001165000792 722249647 /nfs/dbraw/zinc/24/96/47/722249647.db2.gz LLHXFGWVVGBQHP-HSZRJFAPSA-N 1 0 425.533 1.938 20 0 IDADRO COC(=O)c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1C(=O)OC ZINC001165001037 722251033 /nfs/dbraw/zinc/25/10/33/722251033.db2.gz ZGDUONVXCANAKU-UHFFFAOYSA-N 1 0 431.493 1.340 20 0 IDADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(CN3C(=O)CCC3=O)cn1)CCC2 ZINC001165001847 722254940 /nfs/dbraw/zinc/25/49/40/722254940.db2.gz HCORWMYOGJCYEG-UHFFFAOYSA-N 1 0 426.521 1.416 20 0 IDADRO CCCNC(=O)c1cc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003989 722258159 /nfs/dbraw/zinc/25/81/59/722258159.db2.gz KOABQCDVSMKBEO-UHFFFAOYSA-N 1 0 435.960 1.955 20 0 IDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nccc(N3CCC([NH3+])CC3)n1)C2 ZINC001165008697 722266102 /nfs/dbraw/zinc/26/61/02/722266102.db2.gz YAQWDHSYFGYQAP-HSZRJFAPSA-N 1 0 439.539 1.471 20 0 IDADRO COc1cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)ccc1OCC(=O)N1CCOCC1 ZINC000466920236 1126094490 /nfs/dbraw/zinc/09/44/90/1126094490.db2.gz OIGWQGPHCIFRIL-OAQYLSRUSA-N 1 0 428.529 1.934 20 0 IDADRO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CCN3CC[NH2+]C[C@@H]3C2)cc1 ZINC001164391494 718830964 /nfs/dbraw/zinc/83/09/64/718830964.db2.gz LBBWQQRSQPYDSB-OAHLLOKOSA-N 1 0 446.964 1.724 20 0 IDADRO O=S(=O)(c1ccccc1)n1c(N2CCN3CC[NH2+]C[C@H]3C2)cc2c1ncnc2Cl ZINC001164404425 718837750 /nfs/dbraw/zinc/83/77/50/718837750.db2.gz MPOGSYIWSSCPSH-AWEZNQCLSA-N 1 0 432.937 1.416 20 0 IDADRO O=C(c1cccnc1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164409560 718863124 /nfs/dbraw/zinc/86/31/24/718863124.db2.gz RHJZVLFLBWLYOT-FYYLOGMGSA-N 1 0 435.572 1.854 20 0 IDADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164404988 718863796 /nfs/dbraw/zinc/86/37/96/718863796.db2.gz CBEYAOACNUTWKV-OWZDWXTDSA-N 1 0 438.935 1.807 20 0 IDADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1nc(Cl)nc3c1CN(C)CC3)C2 ZINC001164434337 718971806 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ZINC001164799207 721518665 /nfs/dbraw/zinc/51/86/65/721518665.db2.gz YRGPDYSUGCXMSU-UHFFFAOYSA-N 1 0 427.887 1.561 20 0 IDADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)cc2C1 ZINC001164795663 721522540 /nfs/dbraw/zinc/52/25/40/721522540.db2.gz QQPHHCYXRYESJF-QGZVFWFLSA-N 1 0 439.564 1.109 20 0 IDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3ccccc3nc2N2CCOCC2)CC1 ZINC001165011111 721736912 /nfs/dbraw/zinc/73/69/12/721736912.db2.gz LRVRTKHREFIJFI-UHFFFAOYSA-N 1 0 438.576 1.989 20 0 IDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncccc2S(=O)(=O)N2CCCCC2)CC1 ZINC001165012428 721746733 /nfs/dbraw/zinc/74/67/33/721746733.db2.gz HNVWSHOWDOSRMI-UHFFFAOYSA-N 1 0 449.621 1.779 20 0 IDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC001165012451 721747627 /nfs/dbraw/zinc/74/76/27/721747627.db2.gz HYRYLIQUYBURLO-UHFFFAOYSA-N 1 0 435.594 1.389 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@H](OCCCn5cccn5)CC[C@H]43)nn2)CC1 ZINC001165022960 721779019 /nfs/dbraw/zinc/77/90/19/721779019.db2.gz 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ZINC001165000209 722251719 /nfs/dbraw/zinc/25/17/19/722251719.db2.gz MCQFNEAECHREIM-UHFFFAOYSA-N 1 0 436.948 1.047 20 0 IDADRO CN1c2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2N2CCC[C@@H]2C1=O ZINC001165001979 722253818 /nfs/dbraw/zinc/25/38/18/722253818.db2.gz KHNAFBAJRWESJC-QGZVFWFLSA-N 1 0 440.552 1.107 20 0 IDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001165006490 722265922 /nfs/dbraw/zinc/26/59/22/722265922.db2.gz KFFGVHAHUCQFJT-XMMPIXPASA-N 1 0 438.551 1.900 20 0 IDADRO COc1cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)ccc1OCC(=O)N1CCOCC1 ZINC000466920235 1126094501 /nfs/dbraw/zinc/09/45/01/1126094501.db2.gz OIGWQGPHCIFRIL-NRFANRHFSA-N 1 0 428.529 1.934 20 0 IDADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4CC[NH2+]C[C@@H]4C3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164405017 718837847 /nfs/dbraw/zinc/83/78/47/718837847.db2.gz OFBYBHLIFKAGQT-BZUAXINKSA-N 1 0 435.523 1.320 20 0 IDADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2C[C@H]3C[NH2+]C[C@]3(CO)C2)C1=O ZINC001164401527 718852672 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/nfs/dbraw/zinc/26/79/67/721267967.db2.gz OWLFAWQPKHIVEY-UHFFFAOYSA-N 1 0 448.568 1.831 20 0 IDADRO COc1ccc2nc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)nc(C)c2c1 ZINC001164874303 721276893 /nfs/dbraw/zinc/27/68/93/721276893.db2.gz PPTQUXBXAYZHRC-UHFFFAOYSA-N 1 0 427.549 1.954 20 0 IDADRO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c(OC)c1 ZINC001164874529 721278724 /nfs/dbraw/zinc/27/87/24/721278724.db2.gz UDBXQRKPEDJFLE-UHFFFAOYSA-N 1 0 434.537 1.274 20 0 IDADRO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164873546 721282138 /nfs/dbraw/zinc/28/21/38/721282138.db2.gz OFJUZCHYUNOJSY-UHFFFAOYSA-N 1 0 447.914 1.691 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](CNC(=O)c5ccnnc5)CC[C@H]43)n2)CC1 ZINC001164875673 721322632 /nfs/dbraw/zinc/32/26/32/721322632.db2.gz GQAGLXMFEGLUKN-SFGWALBWSA-N 1 0 437.548 1.037 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@H]4CNC(=O)c3ccnnc3)n2)CC1 ZINC001164875672 721322824 /nfs/dbraw/zinc/32/28/24/721322824.db2.gz GQAGLXMFEGLUKN-LRXVAGHRSA-N 1 0 437.548 1.037 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CCC4(C[C@H](Oc5ncccc5F)CO4)CC3)nn2)CC1 ZINC001164779592 721325061 /nfs/dbraw/zinc/32/50/61/721325061.db2.gz ZKRLTGVHYGEYGA-KRWDZBQOSA-N 1 0 428.512 1.969 20 0 IDADRO C[NH+]1CCN(c2ccc(N3C[C@@H](NC(=O)c4cccnc4)[C@H]4OCCC[C@H]4C3)nn2)CC1 ZINC001164781339 721378238 /nfs/dbraw/zinc/37/82/38/721378238.db2.gz JJDWKNVQUSWCNZ-JQVVWYNYSA-N 1 0 437.548 1.037 20 0 IDADRO C[C@@H]1C(=O)Nc2cnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2N1C ZINC001164887290 721414794 /nfs/dbraw/zinc/41/47/94/721414794.db2.gz LVMZRILVISDADU-JLHGSKIFSA-N 1 0 429.569 1.019 20 0 IDADRO COC(=O)CSc1cncc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892294 721440636 /nfs/dbraw/zinc/44/06/36/721440636.db2.gz IBKBNBULQDABGE-LAUBAEHRSA-N 1 0 435.594 1.507 20 0 IDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(N5CCSCC5)ncn4)C3)O2)CC1 ZINC001164898456 721443590 /nfs/dbraw/zinc/44/35/90/721443590.db2.gz VZPRSHNKDBLTSJ-DENIHFKCSA-N 1 0 432.638 1.795 20 0 IDADRO CCOC(=O)c1cnc(CC)nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890228 721444850 /nfs/dbraw/zinc/44/48/50/721444850.db2.gz CNKKCNYCWNNMHQ-FDDCHVKYSA-N 1 0 431.581 1.981 20 0 IDADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1S(N)(=O)=O)CC2 ZINC001164783237 721452679 /nfs/dbraw/zinc/45/26/79/721452679.db2.gz AOHQVFMFMOEJPJ-SFHVURJKSA-N 1 0 438.594 1.463 20 0 IDADRO CCNC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888413 721453531 /nfs/dbraw/zinc/45/35/31/721453531.db2.gz MAJPLWVQKMRDQH-IIBYNOLFSA-N 1 0 436.988 1.645 20 0 IDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1C(N)=O)CC2 ZINC001164788580 721454759 /nfs/dbraw/zinc/45/47/59/721454759.db2.gz RMDZPQUAMJGJHV-MRXNPFEDSA-N 1 0 437.972 1.963 20 0 IDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cnc1C(N)=O)CC2 ZINC001164786800 721457333 /nfs/dbraw/zinc/45/73/33/721457333.db2.gz NQOMZVUNDYRWLQ-MRXNPFEDSA-N 1 0 437.972 1.963 20 0 IDADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(C(N)=O)n1)CC2 ZINC001164784460 721457391 /nfs/dbraw/zinc/45/73/91/721457391.db2.gz FJJSQNWOATWMIV-INIZCTEOSA-N 1 0 437.972 1.963 20 0 IDADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(S(N)(=O)=O)cn1)CC2 ZINC001164785025 721457749 /nfs/dbraw/zinc/45/77/49/721457749.db2.gz LFWRRLSVKFDWJJ-SFHVURJKSA-N 1 0 438.594 1.463 20 0 IDADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(C(=O)N(C)C)n1)CC2 ZINC001164790652 721468176 /nfs/dbraw/zinc/46/81/76/721468176.db2.gz TXLBBSOBMUXACL-IBGZPJMESA-N 1 0 431.581 1.912 20 0 IDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(-n3cncn3)n1)CC2 ZINC001164789969 721468882 /nfs/dbraw/zinc/46/88/82/721468882.db2.gz PNGLBAZDKNZDFU-LJQANCHMSA-N 1 0 427.553 1.791 20 0 IDADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(S(N)(=O)=O)ccn1)CC2 ZINC001164791758 721469256 /nfs/dbraw/zinc/46/92/56/721469256.db2.gz YLXJEDNBPVJTJT-SFHVURJKSA-N 1 0 438.594 1.463 20 0 IDADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@H](CC(=O)N5CCC(F)CC5)[C@@H]4C3)nn2)CC1 ZINC001164893395 721476775 /nfs/dbraw/zinc/47/67/75/721476775.db2.gz IOPCXDZMZDKQTD-NSHGMRRFSA-N 1 0 446.571 1.278 20 0 IDADRO O=C([C@@H]1CCO[C@@H]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]21)N1CCCO1 ZINC001164791459 721481656 /nfs/dbraw/zinc/48/16/56/721481656.db2.gz ISMFRKJOWWODFX-HSALFYBXSA-N 1 0 430.549 1.952 20 0 IDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(C(N)=S)c4ccsc42)CC3)CC1 ZINC001164794326 721522725 /nfs/dbraw/zinc/52/27/25/721522725.db2.gz BNYZXJVWPXRZCQ-UHFFFAOYSA-N 1 0 427.603 1.895 20 0 IDADRO NS(=O)(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164905193 721528396 /nfs/dbraw/zinc/52/83/96/721528396.db2.gz GKPUGWREJQNION-HIFRSBDPSA-N 1 0 426.901 1.863 20 0 IDADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(CN3C(=O)CCC3=O)cn2)[C@@H]2CCCO[C@H]12 ZINC001164806774 721565998 /nfs/dbraw/zinc/56/59/98/721565998.db2.gz RRCBRQDGDVAXBQ-REHUZNOOSA-N 1 0 435.528 1.994 20 0 IDADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)[nH]1 ZINC001165011563 721740295 /nfs/dbraw/zinc/74/02/95/721740295.db2.gz ZACQDHLEGVNCBD-UHFFFAOYSA-N 1 0 434.928 1.921 20 0 IDADRO COC(=O)C1CCN(c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)CC1 ZINC001165010972 721741703 /nfs/dbraw/zinc/74/17/03/721741703.db2.gz RHQMPLGSHXEXIC-UHFFFAOYSA-N 1 0 444.580 1.389 20 0 IDADRO CN1CCc2nc(Cl)nc(N(Cc3ncn4c3C[NH2+]CCC4)c3ncccn3)c2C1 ZINC001165015135 721766505 /nfs/dbraw/zinc/76/65/05/721766505.db2.gz MGDSJGJDCGYBKD-UHFFFAOYSA-N 1 0 425.928 1.936 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCC[C@@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)n2)CC1 ZINC001165018095 721776398 /nfs/dbraw/zinc/77/63/98/721776398.db2.gz IKUUBMCNBRSASK-XXBNENTESA-N 1 0 429.565 1.068 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCC[C@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)n2)CC1 ZINC001165018094 721776641 /nfs/dbraw/zinc/77/66/41/721776641.db2.gz IKUUBMCNBRSASK-WMZHIEFXSA-N 1 0 429.565 1.068 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCCCn3cccn3)n2)CC1 ZINC001165020113 721781432 /nfs/dbraw/zinc/78/14/32/721781432.db2.gz LRGGFUWRMBLVAI-QTEQDKRBSA-N 1 0 426.565 1.873 20 0 IDADRO COc1cc(OC)nc(CN2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC2)n1 ZINC001165030313 721851286 /nfs/dbraw/zinc/85/12/86/721851286.db2.gz UEKKJEJGPPJGTG-UHFFFAOYSA-N 1 0 428.537 1.684 20 0 IDADRO COc1cc(OC)nc(CN2CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC2)n1 ZINC001165030330 721851634 /nfs/dbraw/zinc/85/16/34/721851634.db2.gz UKJUIFHYOQVWLC-UHFFFAOYSA-N 1 0 428.537 1.589 20 0 IDADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001164929930 721857233 /nfs/dbraw/zinc/85/72/33/721857233.db2.gz QOQOHNOEONRKSG-UXHICEINSA-N 1 0 440.573 1.883 20 0 IDADRO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2cc1OC(C)=O ZINC001164925659 721872719 /nfs/dbraw/zinc/87/27/19/721872719.db2.gz PDNDZSPQUFISPL-MOPGFXCFSA-N 1 0 427.505 1.695 20 0 IDADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164951410 721978787 /nfs/dbraw/zinc/97/87/87/721978787.db2.gz ZAOIXIVXCAZGEX-UHFFFAOYSA-N 1 0 436.560 1.578 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cscn4)[C@@H]4OCCC[C@@H]43)n2)CC1 ZINC001164950304 722000742 /nfs/dbraw/zinc/00/07/42/722000742.db2.gz HEXSWAMGEKQRIB-KNBMTAEXSA-N 1 0 428.562 1.456 20 0 IDADRO CC[NH+](CC)C1CCN(c2ncc(C(=O)OC)cc2S(=O)(=O)N2CCOCC2)CC1 ZINC001165054464 722006533 /nfs/dbraw/zinc/00/65/33/722006533.db2.gz MZTSGWPLZTUVFQ-UHFFFAOYSA-N 1 0 440.566 1.200 20 0 IDADRO Cn1cccc1C(=O)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2COC[C@@H]21 ZINC001164964249 722037249 /nfs/dbraw/zinc/03/72/49/722037249.db2.gz UOBNUDSOZGVKAQ-GGPKGHCWSA-N 1 0 425.533 1.528 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CCC4(C[C@H](C(=O)N5CCOCC5)CO4)CC3)n2)CC1 ZINC001164957331 722045416 /nfs/dbraw/zinc/04/54/16/722045416.db2.gz BFROBVKIJBOLNP-IBGZPJMESA-N 1 0 429.565 1.068 20 0 IDADRO CC(C)CNC(=O)c1nc2c(s1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164965254 722066225 /nfs/dbraw/zinc/06/62/25/722066225.db2.gz GRQFIXRHTIUVSY-UHFFFAOYSA-N 1 0 429.594 1.676 20 0 IDADRO COC(OC)c1c(CO)ccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975155 722133647 /nfs/dbraw/zinc/13/36/47/722133647.db2.gz DXMRRTLQZJPTOQ-ICSRJNTNSA-N 1 0 428.533 1.988 20 0 IDADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@@H]32)cs1 ZINC001164991234 722182800 /nfs/dbraw/zinc/18/28/00/722182800.db2.gz PMAWXCHMHAHBTL-RBUKOAKNSA-N 1 0 429.594 1.521 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CC[C@]4(CC(=O)N(c5ccc6c(c5)OCO6)C4)C3)nn2)CC1 ZINC001165000842 722219467 /nfs/dbraw/zinc/21/94/67/722219467.db2.gz ZVJGVQYHEJKFCE-QHCPKHFHSA-N 1 0 436.516 1.591 20 0 IDADRO O=C(NC[C@@H]1Cn2ccnc2CN(c2ncccc2C[NH+]2CCCC2)C1)c1ccnnc1 ZINC001165002817 722241788 /nfs/dbraw/zinc/24/17/88/722241788.db2.gz GRNKJJPTBIGARZ-GOSISDBHSA-N 1 0 432.532 1.730 20 0 IDADRO c1cnc(N2CCOC[C@@]3(CN(c4cccc(OCC[NH+]5CCCC5)n4)CCO3)C2)nc1 ZINC001165003035 722246730 /nfs/dbraw/zinc/24/67/30/722246730.db2.gz HHDOHMPWBXPWJF-HSZRJFAPSA-N 1 0 440.548 1.458 20 0 IDADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)ccc1S(C)(=O)=O)CCC2 ZINC001165001594 722256036 /nfs/dbraw/zinc/25/60/36/722256036.db2.gz CGAJYDHDUBZYJU-UHFFFAOYSA-N 1 0 427.958 1.824 20 0 IDADRO COc1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000500245048 1126095277 /nfs/dbraw/zinc/09/52/77/1126095277.db2.gz JJYDUBDSJQEGRU-FQEVSTJZSA-N 1 0 432.492 1.765 20 0 IDADRO O=C1COc2ccc(S(=O)(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc2N1 ZINC000029231660 563077019 /nfs/dbraw/zinc/07/70/19/563077019.db2.gz LJEWWWTZDHFVOT-UHFFFAOYSA-N 1 0 444.557 1.504 20 0 IDADRO C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@H]4C2)n1)CCCC3)N1CCOCC1 ZINC001164389294 718824432 /nfs/dbraw/zinc/82/44/32/718824432.db2.gz HCSBEPNZHSRGSJ-IRXDYDNUSA-N 1 0 429.590 1.969 20 0 IDADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4CC[NH2+]C[C@@H]4C3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164405015 718837772 /nfs/dbraw/zinc/83/77/72/718837772.db2.gz OFBYBHLIFKAGQT-ARFHVFGLSA-N 1 0 435.523 1.320 20 0 IDADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164404991 718863806 /nfs/dbraw/zinc/86/38/06/718863806.db2.gz CBEYAOACNUTWKV-RISOHXOYSA-N 1 0 438.935 1.807 20 0 IDADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCNC(=O)C45C[NH2+]C5)c23)C1 ZINC001164410574 718879097 /nfs/dbraw/zinc/87/90/97/718879097.db2.gz DGTAUCFRLZTVOT-CQSZACIVSA-N 1 0 426.590 1.690 20 0 IDADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164422281 718913723 /nfs/dbraw/zinc/91/37/23/718913723.db2.gz ZEFNUWHAFUDVNO-KRWDZBQOSA-N 1 0 433.887 1.097 20 0 IDADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(N4CCOCC4)nc4c3CCN4)CC2)CC1 ZINC001164614752 719024834 /nfs/dbraw/zinc/02/48/34/719024834.db2.gz XQPGWTXFJCEILH-UHFFFAOYSA-N 1 0 444.580 1.525 20 0 IDADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4c(c(N5CCOCC5)n3)CNC4)CC2)CC1 ZINC001164616978 719030896 /nfs/dbraw/zinc/03/08/96/719030896.db2.gz GQVCFASFWFVAHT-UHFFFAOYSA-N 1 0 444.580 1.160 20 0 IDADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164630136 719101700 /nfs/dbraw/zinc/10/17/00/719101700.db2.gz VOLJQTIRMOEMSM-VQIMIIECSA-N 1 0 430.530 1.616 20 0 IDADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630134 719102321 /nfs/dbraw/zinc/10/23/21/719102321.db2.gz VOLJQTIRMOEMSM-LPHOPBHVSA-N 1 0 430.530 1.616 20 0 IDADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630133 719102395 /nfs/dbraw/zinc/10/23/95/719102395.db2.gz VOLJQTIRMOEMSM-APWZRJJASA-N 1 0 430.530 1.616 20 0 IDADRO Fc1ccc(CN2CCOCC23CCN(c2ccc(N4CC[NH2+]CC4)nn2)CC3)cc1 ZINC001164674481 719498739 /nfs/dbraw/zinc/49/87/39/719498739.db2.gz YCXSTOJHASKRNY-UHFFFAOYSA-N 1 0 426.540 1.897 20 0 IDADRO CC(C)N(C)Cc1nn(-c2nc(N3CCCC3)nc(N3CCCC3)n2)c2c1CC[NH2+]C2 ZINC001164679761 719639010 /nfs/dbraw/zinc/63/90/10/719639010.db2.gz MKRHDVQWRSQVOA-UHFFFAOYSA-N 1 0 425.585 1.744 20 0 IDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164681992 719704779 /nfs/dbraw/zinc/70/47/79/719704779.db2.gz AXPHSAXKBSXQQI-UHFFFAOYSA-N 1 0 430.578 1.709 20 0 IDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164689515 719738953 /nfs/dbraw/zinc/73/89/53/719738953.db2.gz GANKPBQKDFAQDI-UHFFFAOYSA-N 1 0 428.585 1.253 20 0 IDADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(S(N)(=O)=O)ccn1)CC2 ZINC001164714046 720148520 /nfs/dbraw/zinc/14/85/20/720148520.db2.gz VOGSCXKQWPIFLH-GOSISDBHSA-N 1 0 431.562 1.632 20 0 IDADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(S(N)(=O)=O)nn1)CC2 ZINC001164713542 720149987 /nfs/dbraw/zinc/14/99/87/720149987.db2.gz RQIWPUHTGOYPKV-QGZVFWFLSA-N 1 0 432.550 1.027 20 0 IDADRO Cc1cc(Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1C(N)=O ZINC001164712945 720168760 /nfs/dbraw/zinc/16/87/60/720168760.db2.gz IPZZTZAELCVNBL-OAHLLOKOSA-N 1 0 433.944 1.487 20 0 IDADRO CCOC(=O)Cc1cccnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716099 720171703 /nfs/dbraw/zinc/17/17/03/720171703.db2.gz XRSACBADFACOPC-IBGZPJMESA-N 1 0 428.537 1.532 20 0 IDADRO CCOC(=O)c1nnc(Cl)cc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164719190 720179153 /nfs/dbraw/zinc/17/91/53/720179153.db2.gz UCXNILKYYNQDFA-INIZCTEOSA-N 1 0 449.943 1.651 20 0 IDADRO CCOC(=O)c1cnc(OC)nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164720154 720180072 /nfs/dbraw/zinc/18/00/72/720180072.db2.gz ZPEYNIYXOICZFS-QGZVFWFLSA-N 1 0 445.524 1.007 20 0 IDADRO Cn1nnc2c1CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718815 720186262 /nfs/dbraw/zinc/18/62/62/720186262.db2.gz RVTGKBKWPSAXKK-CQSZACIVSA-N 1 0 449.918 1.462 20 0 IDADRO CON(C)C(=O)c1cccnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716675 720191989 /nfs/dbraw/zinc/19/19/89/720191989.db2.gz RHELNHAPBDMIAE-SFHVURJKSA-N 1 0 429.525 1.060 20 0 IDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)C2 ZINC001164814634 720199081 /nfs/dbraw/zinc/19/90/81/720199081.db2.gz VMOJTXVZDRIQNY-AUUYWEPGSA-N 1 0 426.970 1.645 20 0 IDADRO COC(=O)CSc1cncc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164718144 720199704 /nfs/dbraw/zinc/19/97/04/720199704.db2.gz XQOOPSUKJQYGNQ-MRXNPFEDSA-N 1 0 447.565 1.086 20 0 IDADRO CON(C)C(=O)c1ccnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1 ZINC001164718146 720200313 /nfs/dbraw/zinc/20/03/13/720200313.db2.gz XQOXZSIGOSWCNA-SFHVURJKSA-N 1 0 429.525 1.060 20 0 IDADRO CCOC(=O)c1cnc(CC)nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718137 720202709 /nfs/dbraw/zinc/20/27/09/720202709.db2.gz XLENGRARYNRRKM-GOSISDBHSA-N 1 0 443.552 1.560 20 0 IDADRO CC(C)OC(=O)c1cccnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718461 720203895 /nfs/dbraw/zinc/20/38/95/720203895.db2.gz ZOFZGUKHDKIZTD-IBGZPJMESA-N 1 0 428.537 1.992 20 0 IDADRO Cn1nnc2c1CCN(c1ccnc(-c3nccs3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717293 720206202 /nfs/dbraw/zinc/20/62/02/720206202.db2.gz IECWOAGSKONDQG-MRXNPFEDSA-N 1 0 426.550 1.945 20 0 IDADRO CCOC(=O)c1c[nH]c2ncnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c12 ZINC001164811471 720215964 /nfs/dbraw/zinc/21/59/64/720215964.db2.gz IHHQEQZWFDVYID-UHFFFAOYSA-N 1 0 439.520 1.942 20 0 IDADRO CCOC(=O)c1nnc(SC)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812791 720217238 /nfs/dbraw/zinc/21/72/38/720217238.db2.gz IZTVSSUKCDOLTE-UHFFFAOYSA-N 1 0 447.565 1.577 20 0 IDADRO COC(=O)Cc1c(Cl)ncnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164811916 720218402 /nfs/dbraw/zinc/21/84/02/720218402.db2.gz ANGWZHNJICRIPP-UHFFFAOYSA-N 1 0 434.928 1.653 20 0 IDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(CN3C(=O)CCC3=O)cn1)CCC2 ZINC001164813302 720229307 /nfs/dbraw/zinc/22/93/07/720229307.db2.gz MQHIPHMTXANAHK-UHFFFAOYSA-N 1 0 438.532 1.538 20 0 IDADRO CCNC(=O)c1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164817940 720247650 /nfs/dbraw/zinc/24/76/50/720247650.db2.gz UTHRZGXDAQAHPQ-UHFFFAOYSA-N 1 0 433.944 1.687 20 0 IDADRO CNC(=O)CN1CCOC[C@@]2(CCCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164721001 720275310 /nfs/dbraw/zinc/27/53/10/720275310.db2.gz HEKAAXYHLGAJHA-QHCPKHFHSA-N 1 0 431.581 1.221 20 0 IDADRO CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc4cc(OC)c(OC)cc4c[nH+]3)C2)C1 ZINC001164721267 720291956 /nfs/dbraw/zinc/29/19/56/720291956.db2.gz ISDCSHASGZFLSN-QHCPKHFHSA-N 1 0 428.533 1.917 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC001164819207 720294366 /nfs/dbraw/zinc/29/43/66/720294366.db2.gz CWVXCQKRSLYIKK-RTWAWAEBSA-N 1 0 441.576 1.466 20 0 IDADRO COC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819628 720310298 /nfs/dbraw/zinc/31/02/98/720310298.db2.gz FIZYDNXUVUSJRG-DLBZAZTESA-N 1 0 435.956 1.757 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(S(N)(=O)=O)cc2Cl)CC1 ZINC001164825273 720312649 /nfs/dbraw/zinc/31/26/49/720312649.db2.gz SYKCEPGRYXXOMP-SJORKVTESA-N 1 0 441.985 1.294 20 0 IDADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164834387 720324902 /nfs/dbraw/zinc/32/49/02/720324902.db2.gz ZSFQUFQBTXNJDX-SJORKVTESA-N 1 0 426.521 1.656 20 0 IDADRO CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164821677 720338673 /nfs/dbraw/zinc/33/86/73/720338673.db2.gz BGRLDCBPBXTLAY-RBUKOAKNSA-N 1 0 435.594 1.291 20 0 IDADRO CN1CCN(c2nccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)CC1 ZINC001164825158 720346850 /nfs/dbraw/zinc/34/68/50/720346850.db2.gz ISKSTFALBYGODI-UXHICEINSA-N 1 0 427.597 1.140 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N3CCSCC3)ncn2)CC1 ZINC001164821517 720347205 /nfs/dbraw/zinc/34/72/05/720347205.db2.gz ANZCXHDXNUEPEK-MOPGFXCFSA-N 1 0 430.622 1.941 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)ccc2S(N)(=O)=O)CC1 ZINC001164828819 720347341 /nfs/dbraw/zinc/34/73/41/720347341.db2.gz QHDCUBGXPQCTOY-HUUCEWRRSA-N 1 0 441.985 1.294 20 0 IDADRO Cc1nc(CN2CCN(C)C3(CCN(c4cc(N(C)C)[nH+]c(C)n4)CC3)C2=O)cs1 ZINC001164824813 720360343 /nfs/dbraw/zinc/36/03/43/720360343.db2.gz MQVUDUBGWHAGDS-UHFFFAOYSA-N 1 0 429.594 1.929 20 0 IDADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cc(N3CCCC3)cc[nH+]1)C2 ZINC001164828807 720462093 /nfs/dbraw/zinc/46/20/93/720462093.db2.gz AYQUJAZAMBEZJA-LJQANCHMSA-N 1 0 426.565 1.868 20 0 IDADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164829320 720468371 /nfs/dbraw/zinc/46/83/71/720468371.db2.gz FPSFLSHWKPMRAL-INIZCTEOSA-N 1 0 446.983 1.567 20 0 IDADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164831179 720473317 /nfs/dbraw/zinc/47/33/17/720473317.db2.gz NFQZVSGNYCSNCD-HXUWFJFHSA-N 1 0 440.592 1.862 20 0 IDADRO CC(=O)Oc1cc2ncnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2cc1OC(C)=O ZINC001164735253 720520205 /nfs/dbraw/zinc/52/02/05/720520205.db2.gz XDYODJSDQROESV-MRXNPFEDSA-N 1 0 438.488 1.875 20 0 IDADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc(N4CCOCC4)n3)CC[C@@H]21 ZINC001164838446 720521158 /nfs/dbraw/zinc/52/11/58/720521158.db2.gz RBIGUAMDUXRSTI-SQNIBIBYSA-N 1 0 446.987 1.936 20 0 IDADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)C1 ZINC001164734293 720521457 /nfs/dbraw/zinc/52/14/57/720521457.db2.gz PCZBVVHJPYEQSU-LLVKDONJSA-N 1 0 434.900 1.322 20 0 IDADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc(N4CCOCC4)n3)CC[C@@H]21 ZINC001164838440 720521499 /nfs/dbraw/zinc/52/14/99/720521499.db2.gz RBIGUAMDUXRSTI-BZSNNMDCSA-N 1 0 446.987 1.936 20 0 IDADRO c1nc2c(nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2N2CCOCC2)s1 ZINC001164734150 720557133 /nfs/dbraw/zinc/55/71/33/720557133.db2.gz WGBXCQZYRFTJQK-UHFFFAOYSA-N 1 0 440.577 1.778 20 0 IDADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCC[C@@H]4C(N)=O)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836751 720627054 /nfs/dbraw/zinc/62/70/54/720627054.db2.gz GRTDAWMXPIDCJJ-IYWMVGAKSA-N 1 0 438.580 1.505 20 0 IDADRO c1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164741980 720692054 /nfs/dbraw/zinc/69/20/54/720692054.db2.gz UWVJYQXDSYHWTI-ROUUACIJSA-N 1 0 433.516 1.598 20 0 IDADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737907 720760454 /nfs/dbraw/zinc/76/04/54/720760454.db2.gz DKZAZAKYHGLEHL-IAGOWNOFSA-N 1 0 432.550 1.244 20 0 IDADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164742888 720768577 /nfs/dbraw/zinc/76/85/77/720768577.db2.gz PEGGIRMLTHAAGU-OKZBNKHCSA-N 1 0 446.577 1.680 20 0 IDADRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1OC ZINC001164749262 720815015 /nfs/dbraw/zinc/81/50/15/720815015.db2.gz SROPTSSPXWKZSO-YQVWRLOYSA-N 1 0 426.521 1.848 20 0 IDADRO C[NH+]1CCN(c2ccc(N3C[C@H]4COC[C@]4(C(=O)NCCc4ccccc4)C3)nn2)CC1 ZINC001164851497 720815633 /nfs/dbraw/zinc/81/56/33/720815633.db2.gz LOAZZBOXQDYNOX-GBXCKJPGSA-N 1 0 436.560 1.040 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@]4(C(=O)NCCc4ccccc4)C3)n2)CC1 ZINC001164854644 720816445 /nfs/dbraw/zinc/81/64/45/720816445.db2.gz UWYVIAFAQZGARV-SQJMNOBHSA-N 1 0 435.572 1.645 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@]4(C(=O)NCCc4ccccc4)C3)n2)CC1 ZINC001164854641 720816735 /nfs/dbraw/zinc/81/67/35/720816735.db2.gz UWYVIAFAQZGARV-BWKNWUBXSA-N 1 0 435.572 1.645 20 0 IDADRO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739216 720819892 /nfs/dbraw/zinc/81/98/92/720819892.db2.gz HTBBCJWGNBADDU-JJRVBVJISA-N 1 0 433.919 1.944 20 0 IDADRO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740152 720820730 /nfs/dbraw/zinc/82/07/30/720820730.db2.gz JEFPSLMDCVFXKH-WSTZPKSXSA-N 1 0 425.537 1.933 20 0 IDADRO Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738754 720822669 /nfs/dbraw/zinc/82/26/69/720822669.db2.gz GFJNBGMESCMLCE-ARFHVFGLSA-N 1 0 427.944 1.988 20 0 IDADRO Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738756 720822806 /nfs/dbraw/zinc/82/28/06/720822806.db2.gz GFJNBGMESCMLCE-HRCADAONSA-N 1 0 427.944 1.988 20 0 IDADRO CCNS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748231 720836564 /nfs/dbraw/zinc/83/65/64/720836564.db2.gz SKGNPCPZXVCXCL-IPMKNSEASA-N 1 0 445.593 1.351 20 0 IDADRO O=C1CCC(=O)N1Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164739440 720838180 /nfs/dbraw/zinc/83/81/80/720838180.db2.gz AHGSZBXSRFYFBV-PCCBWWKXSA-N 1 0 449.559 1.702 20 0 IDADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748217 720840861 /nfs/dbraw/zinc/84/08/61/720840861.db2.gz SJXJIXJIGSCGGT-IRFCIJBXSA-N 1 0 439.564 1.994 20 0 IDADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748219 720841127 /nfs/dbraw/zinc/84/11/27/720841127.db2.gz SJXJIXJIGSCGGT-QKNQBKEWSA-N 1 0 439.564 1.994 20 0 IDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)CC[C@@H]2C1 ZINC001164855374 720845938 /nfs/dbraw/zinc/84/59/38/720845938.db2.gz UCZUQRPPJNZRLQ-HZPDHXFCSA-N 1 0 434.566 1.096 20 0 IDADRO CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164748975 720846969 /nfs/dbraw/zinc/84/69/69/720846969.db2.gz VGZXOCLZQJFXRM-NLWGTHIKSA-N 1 0 445.593 1.351 20 0 IDADRO COC(=O)CSc1cncc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744615 720851366 /nfs/dbraw/zinc/85/13/66/720851366.db2.gz CAJBEUUONLUVJV-KZNAEPCWSA-N 1 0 443.577 1.713 20 0 IDADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)CC[C@H]2C1 ZINC001164860212 720852563 /nfs/dbraw/zinc/85/25/63/720852563.db2.gz VWQORHUJJBFPNM-UWJYYQICSA-N 1 0 425.533 1.536 20 0 IDADRO COC(=O)c1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164753020 720852653 /nfs/dbraw/zinc/85/26/53/720852653.db2.gz VETNYGJKUKTMLF-ARFHVFGLSA-N 1 0 431.928 1.888 20 0 IDADRO CNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164752726 720859589 /nfs/dbraw/zinc/85/95/89/720859589.db2.gz UNGZQKNPRVELRI-BFYDXBDKSA-N 1 0 430.944 1.461 20 0 IDADRO CCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751897 720861186 /nfs/dbraw/zinc/86/11/86/720861186.db2.gz RMXQNBZRLSJBIR-JFIYKMOQSA-N 1 0 444.971 1.851 20 0 IDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC[C@H]2C1 ZINC001164860478 720874388 /nfs/dbraw/zinc/87/43/88/720874388.db2.gz ONULXUAKSYHWJJ-RBUKOAKNSA-N 1 0 431.585 1.246 20 0 IDADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC[C@H]2C1 ZINC001164855344 720878255 /nfs/dbraw/zinc/87/82/55/720878255.db2.gz GZIWJVSGQJHHQJ-LPHOPBHVSA-N 1 0 438.956 1.381 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4CO[C@@H](CNC(=O)c5ccno5)[C@H]4C3)n2)CC1 ZINC001164862391 720910354 /nfs/dbraw/zinc/91/03/54/720910354.db2.gz VUKCACNXVSDVCL-AOIWGVFYSA-N 1 0 426.521 1.093 20 0 IDADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164752398 720946875 /nfs/dbraw/zinc/94/68/75/720946875.db2.gz YNOSHSSJJXXIEG-UHFFFAOYSA-N 1 0 440.548 1.986 20 0 IDADRO COC(=O)C[C@H](c1ccnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1)C1CC1 ZINC001164751680 720961825 /nfs/dbraw/zinc/96/18/25/720961825.db2.gz RVXZJZZKOJCQMI-KRWDZBQOSA-N 1 0 441.532 1.980 20 0 IDADRO COc1nc(Cl)ncc1C(F)(F)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164749220 720962032 /nfs/dbraw/zinc/96/20/32/720962032.db2.gz BKGZLGQAUGEBQD-UHFFFAOYSA-N 1 0 430.843 1.526 20 0 IDADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164754703 720964255 /nfs/dbraw/zinc/96/42/55/720964255.db2.gz ULXDSUQDXKCTBJ-UHFFFAOYSA-N 1 0 430.843 1.439 20 0 IDADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164753353 720967347 /nfs/dbraw/zinc/96/73/47/720967347.db2.gz CXJBCVSADGASIF-UHFFFAOYSA-N 1 0 437.291 1.569 20 0 IDADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164754508 720967720 /nfs/dbraw/zinc/96/77/20/720967720.db2.gz STNOWNUTMPZQFD-UHFFFAOYSA-N 1 0 432.488 1.658 20 0 IDADRO O=C1COC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)CN1c1cncnc1 ZINC001164864240 721038495 /nfs/dbraw/zinc/03/84/95/721038495.db2.gz XWBRGFMGZKNIDU-UHFFFAOYSA-N 1 0 438.532 1.749 20 0 IDADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CC[N@@H+]3C2)c1 ZINC001164871399 721069970 /nfs/dbraw/zinc/06/99/70/721069970.db2.gz YMZXORBIRKWXEC-RTBURBONSA-N 1 0 437.548 1.156 20 0 IDADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)C[C@@H]3C2)cn1 ZINC001164773343 721196877 /nfs/dbraw/zinc/19/68/77/721196877.db2.gz WJIQNQUVLYEWSQ-UXHICEINSA-N 1 0 444.605 1.948 20 0 IDADRO C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[C@@H](NC(=O)c3cnccn3)CCO4)n2)CC1 ZINC001164869031 721214141 /nfs/dbraw/zinc/21/41/41/721214141.db2.gz AHJDTNIZOLNZSR-FDDCHVKYSA-N 1 0 437.548 1.181 20 0 IDADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4S(=O)(=O)N4CCCCC4)C[C@H]3C2)cn1 ZINC001164766887 721219804 /nfs/dbraw/zinc/21/98/04/721219804.db2.gz JLOWXFZKQMUYLA-WOJBJXKFSA-N 1 0 444.605 1.948 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@H](C(=O)NCc5ccco5)[C@@H]4C3)n2)CC1 ZINC001164767183 721255317 /nfs/dbraw/zinc/25/53/17/721255317.db2.gz WCPOHAUGYZKDCN-MISYRCLQSA-N 1 0 425.533 1.442 20 0 IDADRO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ncc1Cl ZINC001164879231 721263485 /nfs/dbraw/zinc/26/34/85/721263485.db2.gz WRRKYVYNZHZKIO-UHFFFAOYSA-N 1 0 438.956 1.919 20 0 IDADRO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164869825 721265942 /nfs/dbraw/zinc/26/59/42/721265942.db2.gz OZUYYAZAOKKZSJ-UHFFFAOYSA-N 1 0 441.532 1.423 20 0 IDADRO COC(=O)c1cc2c[nH]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)cc-2n1 ZINC001164874539 721282935 /nfs/dbraw/zinc/28/29/35/721282935.db2.gz UJXYXCLWVKNITO-UHFFFAOYSA-N 1 0 429.521 1.357 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4OCC[C@H]4[C@H](C(=O)NCc4cccnc4)C3)n2)CC1 ZINC001164877355 721304001 /nfs/dbraw/zinc/30/40/01/721304001.db2.gz INPDPPPNNBLZMG-HBMCJLEFSA-N 1 0 436.560 1.386 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@@H](NC(=O)c4cccnc4)[C@@H]4OCCC[C@H]4C3)n2)CC1 ZINC001164780370 721380711 /nfs/dbraw/zinc/38/07/11/721380711.db2.gz GNCJRYKIVDOVKU-MIZPHKNDSA-N 1 0 436.560 1.642 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@@H](NC(=O)c4cccnc4)[C@H]4OCCC[C@H]4C3)n2)CC1 ZINC001164780371 721380791 /nfs/dbraw/zinc/38/07/91/721380791.db2.gz GNCJRYKIVDOVKU-MZKRTTBSSA-N 1 0 436.560 1.642 20 0 IDADRO COC(=O)c1cc2cnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2n1C ZINC001164888758 721430741 /nfs/dbraw/zinc/43/07/41/721430741.db2.gz ARWAHAMEDHEIJA-MBSDFSHPSA-N 1 0 442.564 1.520 20 0 IDADRO Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164783111 721440257 /nfs/dbraw/zinc/44/02/57/721440257.db2.gz MNAPYYVLLAOWCM-HXUWFJFHSA-N 1 0 434.548 1.678 20 0 IDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1S(N)(=O)=O)CC2 ZINC001164783236 721452806 /nfs/dbraw/zinc/45/28/06/721452806.db2.gz AOHQVFMFMOEJPJ-GOSISDBHSA-N 1 0 438.594 1.463 20 0 IDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(S(N)(=O)=O)cn1)CC2 ZINC001164785017 721457742 /nfs/dbraw/zinc/45/77/42/721457742.db2.gz LFWRRLSVKFDWJJ-GOSISDBHSA-N 1 0 438.594 1.463 20 0 IDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(Cl)c1C(N)=O)CC2 ZINC001164783702 721461776 /nfs/dbraw/zinc/46/17/76/721461776.db2.gz FUMQHIXHLNADSS-MRXNPFEDSA-N 1 0 437.972 1.963 20 0 IDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(CO)ccc2NC(=O)C(C)(C)C)CC3)CC1 ZINC001164796707 721516689 /nfs/dbraw/zinc/51/66/89/721516689.db2.gz AAPOVAUPXMOJSR-UHFFFAOYSA-N 1 0 441.580 1.523 20 0 IDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4cccnc4)nc4c2CCC4)CC3)CC1 ZINC001164796187 721520776 /nfs/dbraw/zinc/52/07/76/721520776.db2.gz XOMFRBOADBQXFF-UHFFFAOYSA-N 1 0 430.560 1.991 20 0 IDADRO CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)[C@@H]2CCCO[C@H]12 ZINC001164801799 721564935 /nfs/dbraw/zinc/56/49/35/721564935.db2.gz HGPUFADMGFYVEB-VSKRKVRLSA-N 1 0 436.560 1.390 20 0 IDADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c12 ZINC001165010544 721744114 /nfs/dbraw/zinc/74/41/14/721744114.db2.gz OJPVQUHYBFFAEC-UHFFFAOYSA-N 1 0 434.928 1.921 20 0 IDADRO Clc1nc2c(c(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)n1)CC[NH2+]C2 ZINC001164911399 721772965 /nfs/dbraw/zinc/77/29/65/721772965.db2.gz GOXYUUZJHOCBJX-NRFANRHFSA-N 1 0 430.940 1.279 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@@H](OCCCn5cccn5)CC[C@@H]43)nn2)CC1 ZINC001165022958 721779001 /nfs/dbraw/zinc/77/90/01/721779001.db2.gz SUTSWWIQUHYTNH-IPJJNNNSSA-N 1 0 427.553 1.268 20 0 IDADRO Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(N5CC[NH2+]CC5)cn4)CCO3)C2)cs1 ZINC001164920470 721830846 /nfs/dbraw/zinc/83/08/46/721830846.db2.gz FDDRAYZOOSFBGE-QFIPXVFZSA-N 1 0 444.605 1.364 20 0 IDADRO COc1cc(OC)nc(CN2CCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC2)n1 ZINC001165029392 721846724 /nfs/dbraw/zinc/84/67/24/721846724.db2.gz GMUMOJMMYOFXAP-UHFFFAOYSA-N 1 0 433.944 1.726 20 0 IDADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001164928012 721853778 /nfs/dbraw/zinc/85/37/78/721853778.db2.gz MGRUCSGIXXDWPV-LSDHHAIUSA-N 1 0 430.931 1.726 20 0 IDADRO CCOC(=O)C[C@@H]1C(=O)NCCN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001165033203 721876599 /nfs/dbraw/zinc/87/65/99/721876599.db2.gz NGCGBSUYGKCNCL-OAHLLOKOSA-N 1 0 428.867 1.915 20 0 IDADRO COC(=O)c1cc2c(ncnc2N2CCC[C@@H]([NH+](C)C)C2)n1S(=O)(=O)c1ccccc1 ZINC001165034319 721894885 /nfs/dbraw/zinc/89/48/85/721894885.db2.gz BZZXCXWUFBCLNR-OAHLLOKOSA-N 1 0 443.529 1.985 20 0 IDADRO Cn1ccc(CN2CCOCC23CCN(c2nccc(N4CCC([NH3+])CC4)n2)CC3)n1 ZINC001164935564 721906575 /nfs/dbraw/zinc/90/65/75/721906575.db2.gz FZSRAXIMYHDVIP-UHFFFAOYSA-N 1 0 426.569 1.009 20 0 IDADRO Cn1ccc(CN2CCOCC23CCN(c2ccc(OC4CC[NH2+]CC4)nn2)CC3)n1 ZINC001164936552 721908479 /nfs/dbraw/zinc/90/84/79/721908479.db2.gz QLANWXJPHIODCN-UHFFFAOYSA-N 1 0 427.553 1.212 20 0 IDADRO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N(C)CC2CC[NH+](C)CC2)CN1 ZINC001165041380 721934000 /nfs/dbraw/zinc/93/40/00/721934000.db2.gz SZKRCTSTNLDNGC-PXNSSMCTSA-N 1 0 443.548 1.699 20 0 IDADRO COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N(C)CC2CC[NH+](C)CC2)CN1 ZINC001165041382 721934022 /nfs/dbraw/zinc/93/40/22/721934022.db2.gz SZKRCTSTNLDNGC-YLJYHZDGSA-N 1 0 443.548 1.699 20 0 IDADRO C(C[NH+]1CCCC1)[C@@H]1CCCCN1c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001165046154 721966364 /nfs/dbraw/zinc/96/63/64/721966364.db2.gz HPMRJRDTYSZDNZ-IBGZPJMESA-N 1 0 431.585 1.390 20 0 IDADRO C[NH+]1CCN(c2ccc(N3CCC4(CC3)CN(Cc3cccnc3)C(=O)CO4)nn2)CC1 ZINC001164951865 722002574 /nfs/dbraw/zinc/00/25/74/722002574.db2.gz ODKIXMMCDBWSQK-UHFFFAOYSA-N 1 0 437.548 1.021 20 0 IDADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056516 722014391 /nfs/dbraw/zinc/01/43/91/722014391.db2.gz UXIZMIRJHJYGPS-UHFFFAOYSA-N 1 0 429.912 1.803 20 0 IDADRO CNS(=O)(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960715 722057872 /nfs/dbraw/zinc/05/78/72/722057872.db2.gz JBLCNFRCTFVFTP-UHFFFAOYSA-N 1 0 431.562 1.504 20 0 IDADRO CN1CCN(c2nccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)CC1 ZINC001164961763 722060990 /nfs/dbraw/zinc/06/09/90/722060990.db2.gz PBHCHTKTDQJSDK-UHFFFAOYSA-N 1 0 437.592 1.742 20 0 IDADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)cc1 ZINC001164966865 722074386 /nfs/dbraw/zinc/07/43/86/722074386.db2.gz 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437.548 1.053 20 0 IDADRO NS(=O)(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974283 722150253 /nfs/dbraw/zinc/15/02/53/722150253.db2.gz DBTKBUROBFXXFW-JKSUJKDBSA-N 1 0 437.953 1.505 20 0 IDADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164991939 722188763 /nfs/dbraw/zinc/18/87/63/722188763.db2.gz TYEZCIIEBONFLL-UHFFFAOYSA-N 1 0 439.560 1.411 20 0 IDADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(C(=O)N3CCOCC3)cn1)CCC2 ZINC001164999824 722250710 /nfs/dbraw/zinc/25/07/10/722250710.db2.gz GMMVXZKIKFKMSR-UHFFFAOYSA-N 1 0 428.537 1.239 20 0 IDADRO COc1nc(N2CCCCCC2)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004845 722255847 /nfs/dbraw/zinc/25/58/47/722255847.db2.gz VZSOQLNEUZPRMX-UHFFFAOYSA-N 1 0 444.584 1.946 20 0 IDADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)ccc1S(N)(=O)=O)CCC2 ZINC001165004087 722257315 /nfs/dbraw/zinc/25/73/15/722257315.db2.gz MUSVCKSFALBNPC-UHFFFAOYSA-N 1 0 428.946 1.067 20 0 IDADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)C[N@@H+]2C ZINC001165005326 722261177 /nfs/dbraw/zinc/26/11/77/722261177.db2.gz VJTAVALJSWGWAI-JOCHJYFZSA-N 1 0 438.463 1.763 20 0 IDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001165004819 722268678 /nfs/dbraw/zinc/26/86/78/722268678.db2.gz CQPNBLRIRSCTPB-QHCPKHFHSA-N 1 0 440.523 1.674 20 0 IDADRO C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@H]4C2)n1)CCCC3)N1CCOCC1 ZINC001164389296 718824628 /nfs/dbraw/zinc/82/46/28/718824628.db2.gz HCSBEPNZHSRGSJ-SJORKVTESA-N 1 0 429.590 1.969 20 0 IDADRO C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@@H]4C2)n1)CCC3)N1CCOCC1 ZINC001164405085 718864239 /nfs/dbraw/zinc/86/42/39/718864239.db2.gz CTJDJCYVKZKSLT-WBVHZDCISA-N 1 0 429.590 1.827 20 0 IDADRO O=C1NCCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)C12C[NH2+]C2 ZINC001164412564 718878990 /nfs/dbraw/zinc/87/89/90/718878990.db2.gz WWQJWJUUINLXJG-UHFFFAOYSA-N 1 0 426.590 1.834 20 0 IDADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCNC(=O)C35C[NH2+]C5)n2)CCC4)CC1 ZINC001164410950 718879022 /nfs/dbraw/zinc/87/90/22/718879022.db2.gz KAHGTNWZYCBDIA-UHFFFAOYSA-N 1 0 426.590 1.690 20 0 IDADRO CN1CCN(Cc2cc3nc(N4CCC[C@@H]5[NH2+]C[C@@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164450355 718999337 /nfs/dbraw/zinc/99/93/37/718999337.db2.gz VDJODPNMNWOSOJ-HKUYNNGSSA-N 1 0 443.621 1.216 20 0 IDADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccnc(N3CCN(C)CC3)n1)C2 ZINC001164616810 719011196 /nfs/dbraw/zinc/01/11/96/719011196.db2.gz LOXZEWJZNXXODQ-WZONZLPQSA-N 1 0 428.581 1.378 20 0 IDADRO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H](C)[N@H+](C)C[C@H]2C)CN1 ZINC001164633606 719198312 /nfs/dbraw/zinc/19/83/12/719198312.db2.gz HUBIROAAJBYWLY-ZLHSVIROSA-N 1 0 429.521 1.450 20 0 IDADRO COC(=O)c1cc2c(ncnc2N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164640340 719228638 /nfs/dbraw/zinc/22/86/38/719228638.db2.gz SMWOPSADTYTBQI-CABCVRRESA-N 1 0 443.529 1.984 20 0 IDADRO O=C(COCc1nnn2c1CN(c1ccc(C[NH+]3CCCC3)cn1)CCC2)N1CCCC1 ZINC001164641079 719259330 /nfs/dbraw/zinc/25/93/30/719259330.db2.gz UWRYCLGGCLAILU-UHFFFAOYSA-N 1 0 439.564 1.818 20 0 IDADRO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CC[NH+](CC(C)C)CC2)CN1 ZINC001164654360 719333573 /nfs/dbraw/zinc/33/35/73/719333573.db2.gz OFYVMBFUTTZDNN-PXNSSMCTSA-N 1 0 443.548 1.699 20 0 IDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)CC2 ZINC001164689594 719742038 /nfs/dbraw/zinc/74/20/38/719742038.db2.gz ISBKIYAHGZNXJI-UHFFFAOYSA-N 1 0 435.956 1.388 20 0 IDADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164703342 719848222 /nfs/dbraw/zinc/84/82/22/719848222.db2.gz QSHCEXFIAOIDFO-KKSFZXQISA-N 1 0 437.972 1.830 20 0 IDADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164700529 719863777 /nfs/dbraw/zinc/86/37/77/719863777.db2.gz DUPIRWAFLMMIRO-WMZHIEFXSA-N 1 0 432.565 1.789 20 0 IDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)C2 ZINC001164816533 720120135 /nfs/dbraw/zinc/12/01/35/720120135.db2.gz ZYSYECLTVUXTFJ-BSRJHKFKSA-N 1 0 426.565 1.607 20 0 IDADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N(C)CC(=O)N3)CC2 ZINC001164716379 720125300 /nfs/dbraw/zinc/12/53/00/720125300.db2.gz KPCSCFCPHXAOPJ-GOSISDBHSA-N 1 0 437.548 1.767 20 0 IDADRO CNS(=O)(=O)c1cccnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716366 720128879 /nfs/dbraw/zinc/12/88/79/720128879.db2.gz KMAQRUXGUBJHBT-IBGZPJMESA-N 1 0 445.589 1.892 20 0 IDADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(S(N)(=O)=O)n1)CC2 ZINC001164714528 720156530 /nfs/dbraw/zinc/15/65/30/720156530.db2.gz QHVQHJVDZCLACM-SFHVURJKSA-N 1 0 431.562 1.632 20 0 IDADRO CN(C)C(=O)N1CC2(CCN(c3cc(C[NH+](C)C)ccn3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC001164711248 720162532 /nfs/dbraw/zinc/16/25/32/720162532.db2.gz AHFBFEHLPVZZKZ-HSZRJFAPSA-N 1 0 428.581 1.576 20 0 IDADRO COC(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)cc1OC ZINC001164715609 720170920 /nfs/dbraw/zinc/17/09/20/720170920.db2.gz VFIHXGTWABJVAJ-QGZVFWFLSA-N 1 0 430.509 1.222 20 0 IDADRO COC(=O)Cc1c(Cl)ncnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718741 720176366 /nfs/dbraw/zinc/17/63/66/720176366.db2.gz PXVLWKXTIKZMCS-MRXNPFEDSA-N 1 0 449.943 1.190 20 0 IDADRO Cn1nnc2c1CCN(c1ccc(C(=O)NC(C)(C)C)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715452 720182656 /nfs/dbraw/zinc/18/26/56/720182656.db2.gz CKYZLTNNKBEEDO-IBGZPJMESA-N 1 0 441.580 1.955 20 0 IDADRO Cn1nnc2c1CCN(c1ccc(C(=O)NC3CC3)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719596 720184723 /nfs/dbraw/zinc/18/47/23/720184723.db2.gz WOGLBPDRUVYXSZ-LJQANCHMSA-N 1 0 425.537 1.319 20 0 IDADRO Cn1nnc2c1CCN(c1ccc(C(=O)NC3CC3)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719595 720184880 /nfs/dbraw/zinc/18/48/80/720184880.db2.gz WOGLBPDRUVYXSZ-IBGZPJMESA-N 1 0 425.537 1.319 20 0 IDADRO Cn1nnc2c1CCN(c1cc(C(=O)N3CCCC3)ccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715981 720190593 /nfs/dbraw/zinc/19/05/93/720190593.db2.gz NKBLUOPQABGYJG-HXUWFJFHSA-N 1 0 439.564 1.662 20 0 IDADRO COC(=O)c1cc2c[nH]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)cc-2n1 ZINC001164716200 720192718 /nfs/dbraw/zinc/19/27/18/720192718.db2.gz PJQONCQNGIYEKZ-IBGZPJMESA-N 1 0 439.520 1.694 20 0 IDADRO COC(=O)CSc1cccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164716021 720192806 /nfs/dbraw/zinc/19/28/06/720192806.db2.gz OIKKCESLPQEFDW-QGZVFWFLSA-N 1 0 446.577 1.691 20 0 IDADRO Cn1nnc2c1CCN(c1ncnc3c1C(C)(C)C(=O)N3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714601 720193562 /nfs/dbraw/zinc/19/35/62/720193562.db2.gz GZBHGGKKJXCKDU-OAHLLOKOSA-N 1 0 426.525 1.051 20 0 IDADRO CN(C)C(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(Cl)c1 ZINC001164713751 720197699 /nfs/dbraw/zinc/19/76/99/720197699.db2.gz CXKQOALDDHVSDT-GOSISDBHSA-N 1 0 447.971 1.782 20 0 IDADRO Cn1nnc2c1CCN([C@H](F)Oc1ccc(Cl)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719676 720207362 /nfs/dbraw/zinc/20/73/62/720207362.db2.gz SGZFYWIRHDEZCI-KDOFPFPSSA-N 1 0 425.896 1.602 20 0 IDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc(S(C)(=O)=O)n1)CCC2 ZINC001164814676 720209220 /nfs/dbraw/zinc/20/92/20/720209220.db2.gz WDMPLUIKUQEJRP-UHFFFAOYSA-N 1 0 440.957 1.341 20 0 IDADRO CON(C)C(=O)c1cc(C)cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813945 720231849 /nfs/dbraw/zinc/23/18/49/720231849.db2.gz SJJUOEACXLRKFU-UHFFFAOYSA-N 1 0 428.537 1.831 20 0 IDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)NC3CCCC3)nn1)CCC2 ZINC001164814494 720240393 /nfs/dbraw/zinc/24/03/93/720240393.db2.gz VOIALWDKTYZYFQ-UHFFFAOYSA-N 1 0 439.564 1.956 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2c(Cl)nc(Cl)nc2C(N)=O)CC1 ZINC001164827755 720323604 /nfs/dbraw/zinc/32/36/04/720323604.db2.gz IGPJPTIYYWCTEK-QWHCGFSZSA-N 1 0 441.363 1.794 20 0 IDADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164832505 720331874 /nfs/dbraw/zinc/33/18/74/720331874.db2.gz UEDZQXPIJOPDSX-UXHICEINSA-N 1 0 429.565 1.935 20 0 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431.871 1.241 20 0 IDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCOCC2)nc2sc(C)c(C)c21 ZINC001164613862 719017744 /nfs/dbraw/zinc/01/77/44/719017744.db2.gz AAIKNRBBZHNVKV-IKGGRYGDSA-N 1 0 445.589 1.870 20 0 IDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(S(=O)(=O)CC)c1 ZINC001164617811 719020312 /nfs/dbraw/zinc/02/03/12/719020312.db2.gz PZYXDSARSDNPRC-DRZSPHRISA-N 1 0 437.896 1.803 20 0 IDADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(=O)NC4CCOCC4)nn3)CC2)CC1 ZINC001164617888 719033220 /nfs/dbraw/zinc/03/32/20/719033220.db2.gz OWCNQDVFUCTBOP-UHFFFAOYSA-N 1 0 445.564 1.629 20 0 IDADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ccc3S(N)(=O)=O)CC2)CC1 ZINC001164617609 719034046 /nfs/dbraw/zinc/03/40/46/719034046.db2.gz NDBSYOSRPUVVAP-UHFFFAOYSA-N 1 0 430.958 1.626 20 0 IDADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164630135 719101879 /nfs/dbraw/zinc/10/18/79/719101879.db2.gz VOLJQTIRMOEMSM-QFBILLFUSA-N 1 0 430.530 1.616 20 0 IDADRO 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CCOC(=O)c1cnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1C(=O)OCC ZINC001164685217 719613284 /nfs/dbraw/zinc/61/32/84/719613284.db2.gz STNBXZJHWCXRRN-UHFFFAOYSA-N 1 0 430.509 1.502 20 0 IDADRO CC(C)N(C)Cc1nn(-c2nc3scnc3c(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164686022 719614589 /nfs/dbraw/zinc/61/45/89/719614589.db2.gz XPRLSPKBXBWNAV-UHFFFAOYSA-N 1 0 428.566 1.595 20 0 IDADRO Cn1nnc2c1ncnc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685612 719677278 /nfs/dbraw/zinc/67/72/78/719677278.db2.gz VOABAFCVAGJLTH-KRWDZBQOSA-N 1 0 448.575 1.852 20 0 IDADRO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164693408 719834509 /nfs/dbraw/zinc/83/45/09/719834509.db2.gz ASRJZGRVWZHECJ-SFHVURJKSA-N 1 0 435.536 1.073 20 0 IDADRO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164694703 719835162 /nfs/dbraw/zinc/83/51/62/719835162.db2.gz IOTABAKDYOLIGX-LJQANCHMSA-N 1 0 434.548 1.678 20 0 IDADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001164699938 719875042 /nfs/dbraw/zinc/87/50/42/719875042.db2.gz DAJPKLLJTYEQNG-GCJKJVERSA-N 1 0 433.553 1.088 20 0 IDADRO O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]21 ZINC001164696578 719883721 /nfs/dbraw/zinc/88/37/21/719883721.db2.gz ACIANVSAMUPYJX-IPMKNSEASA-N 1 0 438.532 1.684 20 0 IDADRO O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]21 ZINC001164696573 719883862 /nfs/dbraw/zinc/88/38/62/719883862.db2.gz ACIANVSAMUPYJX-GBESFXJTSA-N 1 0 438.532 1.684 20 0 IDADRO CNS(=O)(=O)c1cccnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716369 720128522 /nfs/dbraw/zinc/12/85/22/720128522.db2.gz KMAQRUXGUBJHBT-LJQANCHMSA-N 1 0 445.589 1.892 20 0 IDADRO CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164818424 720160473 /nfs/dbraw/zinc/16/04/73/720160473.db2.gz SQYJZGYTAWTEPJ-UZVQOGFPSA-N 1 0 436.578 1.575 20 0 IDADRO CCOC(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(C)c1 ZINC001164719154 720175349 /nfs/dbraw/zinc/17/53/49/720175349.db2.gz STTBFRVZTKLNIB-IBGZPJMESA-N 1 0 428.537 1.911 20 0 IDADRO Cn1ccc2c1nc(Cl)nc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718358 720176080 /nfs/dbraw/zinc/17/60/80/720176080.db2.gz PBXKGVINPQEPLT-MRXNPFEDSA-N 1 0 430.944 1.966 20 0 IDADRO CCOC(=O)c1nnc(Cl)cc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719191 720178333 /nfs/dbraw/zinc/17/83/33/720178333.db2.gz UCXNILKYYNQDFA-MRXNPFEDSA-N 1 0 449.943 1.651 20 0 IDADRO CCOC(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1C ZINC001164715910 720180168 /nfs/dbraw/zinc/18/01/68/720180168.db2.gz DLBOSJGCDRALKP-GOSISDBHSA-N 1 0 429.525 1.306 20 0 IDADRO COCCn1ccc2c1ncnc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164717069 720184444 /nfs/dbraw/zinc/18/44/44/720184444.db2.gz KIJHUJZHSHLFAN-LJQANCHMSA-N 1 0 440.552 1.422 20 0 IDADRO CCOC(=O)c1ncnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1C ZINC001164717026 720186043 /nfs/dbraw/zinc/18/60/43/720186043.db2.gz JGQLPLWCYJEEQK-KRWDZBQOSA-N 1 0 429.525 1.306 20 0 IDADRO Cn1nnc2c1CCN(c1nccc(N3CCCCC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715218 720189483 /nfs/dbraw/zinc/18/94/83/720189483.db2.gz JVURYZZDDGTALQ-LJQANCHMSA-N 1 0 426.569 1.812 20 0 IDADRO CON(C)C(=O)c1cc(C)cnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164713391 720192915 /nfs/dbraw/zinc/19/29/15/720192915.db2.gz BNFQTBPCQKTWGR-LJQANCHMSA-N 1 0 443.552 1.368 20 0 IDADRO Cn1nnc2c1CCN(c1nnc(Cl)c3c1N(C)CCO3)[C@H]2COCC[NH+]1CCCC1 ZINC001164716072 720194221 /nfs/dbraw/zinc/19/42/21/720194221.db2.gz OZANUKNKDRHUQQ-HNNXBMFYSA-N 1 0 448.959 1.303 20 0 IDADRO Cn1nnc2c1CCN(c1ccc(Cn3ccccc3=O)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715101 720199021 /nfs/dbraw/zinc/19/90/21/720199021.db2.gz JBFBFFBOKDZPOO-OAQYLSRUSA-N 1 0 449.559 1.636 20 0 IDADRO Cn1nnc2c1CCN(c1nc(C(N)=O)cc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715288 720199043 /nfs/dbraw/zinc/19/90/43/720199043.db2.gz KQKWNTWYUUNMKV-HXUWFJFHSA-N 1 0 435.532 1.678 20 0 IDADRO CON(C)C(=O)c1ccnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164718145 720200455 /nfs/dbraw/zinc/20/04/55/720200455.db2.gz XQOXZSIGOSWCNA-GOSISDBHSA-N 1 0 429.525 1.060 20 0 IDADRO CCOC(=O)c1cnc(CC)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718138 720202989 /nfs/dbraw/zinc/20/29/89/720202989.db2.gz XLENGRARYNRRKM-SFHVURJKSA-N 1 0 443.552 1.560 20 0 IDADRO Cn1nnc2c1CCN(c1ccnc(-c3nccs3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717292 720205546 /nfs/dbraw/zinc/20/55/46/720205546.db2.gz IECWOAGSKONDQG-INIZCTEOSA-N 1 0 426.550 1.945 20 0 IDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ncc1N1CCOCC1)CCC2 ZINC001164813511 720224237 /nfs/dbraw/zinc/22/42/37/720224237.db2.gz NJJBDQVRGWCEBD-UHFFFAOYSA-N 1 0 447.971 1.774 20 0 IDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(S(=O)(=O)N(C)C)cn1)CCC2 ZINC001164813297 720235904 /nfs/dbraw/zinc/23/59/04/720235904.db2.gz MPEQDJGGMYBVGT-UHFFFAOYSA-N 1 0 434.566 1.139 20 0 IDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(S(=O)(=O)NC3CC3)cn1)CCC2 ZINC001164813267 720238371 /nfs/dbraw/zinc/23/83/71/720238371.db2.gz MGVDNRLZVPRTMF-UHFFFAOYSA-N 1 0 446.577 1.330 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc(S(C)(=O)=O)n2)CC1 ZINC001164819160 720285791 /nfs/dbraw/zinc/28/57/91/720285791.db2.gz PSMBMBPYRXCISE-LSDHHAIUSA-N 1 0 441.985 1.445 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(CN3CCOCC3)cn2)CC1 ZINC001164823216 720294204 /nfs/dbraw/zinc/29/42/04/720294204.db2.gz PMVGUPYPQSASEN-FCHUYYIVSA-N 1 0 427.593 1.825 20 0 IDADRO COC(=O)c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C(=O)OC ZINC001164822633 720298374 /nfs/dbraw/zinc/29/83/74/720298374.db2.gz NUEMZZOXBGOVQZ-MSOLQXFVSA-N 1 0 444.532 1.566 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc(N3CCOCC3)n2)CC1 ZINC001164821584 720304499 /nfs/dbraw/zinc/30/44/99/720304499.db2.gz KXCDCENJZZEZOM-SJORKVTESA-N 1 0 449.987 1.273 20 0 IDADRO COC(=O)c1cc2cnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2n1C ZINC001164823372 720335576 /nfs/dbraw/zinc/33/55/76/720335576.db2.gz AYQYVTJIUIFDJM-ZWKOTPCHSA-N 1 0 440.548 1.666 20 0 IDADRO CN1CCN(c2nccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)CC1 ZINC001164825162 720347523 /nfs/dbraw/zinc/34/75/23/720347523.db2.gz ISKSTFALBYGODI-WOJBJXKFSA-N 1 0 427.597 1.140 20 0 IDADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730889 720414779 /nfs/dbraw/zinc/41/47/79/720414779.db2.gz JKDVKFHWEBFZPG-VQTJNVASSA-N 1 0 438.532 1.738 20 0 IDADRO O=C(c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1)N1CCS(=O)(=O)CC1 ZINC001164733562 720458474 /nfs/dbraw/zinc/45/84/74/720458474.db2.gz PSWZJNXCALBVMB-WOJBJXKFSA-N 1 0 441.557 1.200 20 0 IDADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc(N4CCOCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838444 720521173 /nfs/dbraw/zinc/52/11/73/720521173.db2.gz RBIGUAMDUXRSTI-OKZBNKHCSA-N 1 0 446.987 1.936 20 0 IDADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nn2)C1 ZINC001164735630 720525281 /nfs/dbraw/zinc/52/52/81/720525281.db2.gz ZETAUSDWFSVIRP-ZWKOTPCHSA-N 1 0 427.553 1.651 20 0 IDADRO CCNS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837969 720566323 /nfs/dbraw/zinc/56/63/23/720566323.db2.gz MYHNHQPCAOHGHW-IPMKNSEASA-N 1 0 432.594 1.954 20 0 IDADRO COC(=O)C1CCN(c2nccnc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001164728130 720572818 /nfs/dbraw/zinc/57/28/18/720572818.db2.gz KBRLTEPESZCCKX-UHFFFAOYSA-N 1 0 439.564 1.721 20 0 IDADRO O=S(=O)(c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1)N1CCCC1 ZINC001164736287 720580757 /nfs/dbraw/zinc/58/07/57/720580757.db2.gz GVULCFQAJQUNOL-UHFFFAOYSA-N 1 0 430.578 1.721 20 0 IDADRO c1cc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164743068 720641134 /nfs/dbraw/zinc/64/11/34/720641134.db2.gz OTEWHDZCVPQYPV-HZPDHXFCSA-N 1 0 439.545 1.660 20 0 IDADRO CCOC(=O)c1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2s1 ZINC001164747043 720733488 /nfs/dbraw/zinc/73/34/88/720733488.db2.gz ZRNKRYXYBOSPCF-KGLIPLIRSA-N 1 0 426.502 2.000 20 0 IDADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)C1=O ZINC001164744626 720748103 /nfs/dbraw/zinc/74/81/03/720748103.db2.gz RRKHVSXRSOHYQQ-UONOGXRCSA-N 1 0 429.912 1.626 20 0 IDADRO COc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001164745886 720755566 /nfs/dbraw/zinc/75/55/66/720755566.db2.gz WFVTVOZSMWIQJI-DLBZAZTESA-N 1 0 426.525 1.393 20 0 IDADRO COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001164745889 720757074 /nfs/dbraw/zinc/75/70/74/720757074.db2.gz WFVTVOZSMWIQJI-IRXDYDNUSA-N 1 0 426.525 1.393 20 0 IDADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737911 720759780 /nfs/dbraw/zinc/75/97/80/720759780.db2.gz DKZAZAKYHGLEHL-SJORKVTESA-N 1 0 432.550 1.244 20 0 IDADRO O=S(=O)(c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1)N1CCCCC1 ZINC001164742879 720760592 /nfs/dbraw/zinc/76/05/92/720760592.db2.gz OYJUQFOSTZFAEN-QZTJIDSGSA-N 1 0 444.561 1.388 20 0 IDADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164739475 720768127 /nfs/dbraw/zinc/76/81/27/720768127.db2.gz IVBJRFUHZKGTRS-MSOLQXFVSA-N 1 0 446.577 1.680 20 0 IDADRO O=C(c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164741120 720771767 /nfs/dbraw/zinc/77/17/67/720771767.db2.gz MHBSDMYQJSLUGC-IRXDYDNUSA-N 1 0 444.923 1.339 20 0 IDADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739171 720815853 /nfs/dbraw/zinc/81/58/53/720815853.db2.gz HKZVCTHJZZATOW-JTDSTZFVSA-N 1 0 436.520 1.667 20 0 IDADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739168 720815872 /nfs/dbraw/zinc/81/58/72/720815872.db2.gz HKZVCTHJZZATOW-GPMSIDNRSA-N 1 0 436.520 1.667 20 0 IDADRO C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@@]4(C(=O)NCCc4ccccc4)C3)n2)CC1 ZINC001164854642 720816579 /nfs/dbraw/zinc/81/65/79/720816579.db2.gz UWYVIAFAQZGARV-OFVILXPXSA-N 1 0 435.572 1.645 20 0 IDADRO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739215 720819762 /nfs/dbraw/zinc/81/97/62/720819762.db2.gz HTBBCJWGNBADDU-GRDNDAEWSA-N 1 0 433.919 1.944 20 0 IDADRO COC(=O)c1nc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741817 720830571 /nfs/dbraw/zinc/83/05/71/720830571.db2.gz OKIUMDBKOGPHER-BZUAXINKSA-N 1 0 431.928 1.888 20 0 IDADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748223 720841161 /nfs/dbraw/zinc/84/11/61/720841161.db2.gz SJXJIXJIGSCGGT-SVFBPWRDSA-N 1 0 439.564 1.994 20 0 IDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)CC[C@H]2C1 ZINC001164855371 720845556 /nfs/dbraw/zinc/84/55/56/720845556.db2.gz UCZUQRPPJNZRLQ-HOTGVXAUSA-N 1 0 434.566 1.096 20 0 IDADRO O=c1ccccn1-c1nccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742488 720850174 /nfs/dbraw/zinc/85/01/74/720850174.db2.gz GXQYXHJTMZOJHR-VAMGGRTRSA-N 1 0 432.532 1.598 20 0 IDADRO O=c1ccccn1-c1nccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742489 720850527 /nfs/dbraw/zinc/85/05/27/720850527.db2.gz GXQYXHJTMZOJHR-XUVXKRRUSA-N 1 0 432.532 1.598 20 0 IDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4nc3N3CCOCC3)CC[C@@H]2C1 ZINC001164858230 720853209 /nfs/dbraw/zinc/85/32/09/720853209.db2.gz RRVQHDFLOROPPQ-WIYYLYMNSA-N 1 0 427.549 1.640 20 0 IDADRO COC(=O)c1ncnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1OC ZINC001164744550 720861352 /nfs/dbraw/zinc/86/13/52/720861352.db2.gz BSSUAEULPCHCLO-YESZJQIVSA-N 1 0 427.509 1.243 20 0 IDADRO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)nn2)CC1 ZINC001164860884 720865004 /nfs/dbraw/zinc/86/50/04/720865004.db2.gz XFNZYCOCORNMJL-WOJBJXKFSA-N 1 0 447.580 1.430 20 0 IDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccnc3N3CCC(C(=O)OC)CC3)CC[C@H]2C1 ZINC001164852357 720865069 /nfs/dbraw/zinc/86/50/69/720865069.db2.gz CLXMGQMHSLWTRI-OALUTQOASA-N 1 0 433.553 1.040 20 0 IDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3cc(C(=O)OC)n4C)CC[C@@H]2C1 ZINC001164857439 720871745 /nfs/dbraw/zinc/87/17/45/720871745.db2.gz JOQZJFNVFFSYRB-CZUORRHYSA-N 1 0 437.928 1.582 20 0 IDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC[C@@H]2C1 ZINC001164860457 720874480 /nfs/dbraw/zinc/87/44/80/720874480.db2.gz ONULXUAKSYHWJJ-MOPGFXCFSA-N 1 0 431.585 1.246 20 0 IDADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc1 ZINC001164859896 720875497 /nfs/dbraw/zinc/87/54/97/720875497.db2.gz MZPKTERPNSLLCY-MJGOQNOKSA-N 1 0 426.583 1.286 20 0 IDADRO CNC(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164747212 720923839 /nfs/dbraw/zinc/92/38/39/720923839.db2.gz CCPJFDDLCGTVTH-YKSBVNFPSA-N 1 0 436.560 1.986 20 0 IDADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3c(ncn3C)c(N3CCOCC3)n1)[C@@H]2C ZINC001164863187 720944509 /nfs/dbraw/zinc/94/45/09/720944509.db2.gz YPBWYFLUTQCCCP-MRXNPFEDSA-N 1 0 439.568 1.818 20 0 IDADRO 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443.379 1.648 20 0 IDADRO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4S(C)(=O)=O)C3)O2)CC1 ZINC001164896614 721430926 /nfs/dbraw/zinc/43/09/26/721430926.db2.gz RPDRQVYWAGQSEW-JXFKEZNVSA-N 1 0 443.013 1.904 20 0 IDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(C(=O)NC5CCCC5)nn4)C3)O2)CC1 ZINC001164899327 721442135 /nfs/dbraw/zinc/44/21/35/721442135.db2.gz YGYQJSONFFSLPF-HYBUGGRVSA-N 1 0 442.608 1.914 20 0 IDADRO CCOC(=O)c1cnc(CC)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890231 721444867 /nfs/dbraw/zinc/44/48/67/721444867.db2.gz CNKKCNYCWNNMHQ-WZONZLPQSA-N 1 0 431.581 1.981 20 0 IDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(S(N)(=O)=O)n1)CC2 ZINC001164788778 721473458 /nfs/dbraw/zinc/47/34/58/721473458.db2.gz KNWRSIOCVKBVCV-GOSISDBHSA-N 1 0 438.594 1.463 20 0 IDADRO CON(C)C(=O)c1cc(Cl)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1 ZINC001164798512 721514518 /nfs/dbraw/zinc/51/45/18/721514518.db2.gz VDKLPXFAULSBHS-UHFFFAOYSA-N 1 0 433.944 1.333 20 0 IDADRO 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COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994063 722209697 /nfs/dbraw/zinc/20/96/97/722209697.db2.gz FBTXAAOCVQHVAZ-NRFANRHFSA-N 1 0 448.520 1.900 20 0 IDADRO CCOC(=O)c1c[nH]c2cc(N3CCc4ncnc(N5CCN(C)CC5)c4CC3)[nH+]cc21 ZINC001165001762 722236787 /nfs/dbraw/zinc/23/67/87/722236787.db2.gz LRXYTSJRCPTKJT-UHFFFAOYSA-N 1 0 435.532 1.887 20 0 IDADRO C[N@H+](Cc1ccc(N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)nc1)C1CC1 ZINC001165005102 722241633 /nfs/dbraw/zinc/24/16/33/722241633.db2.gz RMRNTFTZRDXGMP-SFHVURJKSA-N 1 0 432.532 1.729 20 0 IDADRO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]2C1 ZINC001165004306 722243851 /nfs/dbraw/zinc/24/38/51/722243851.db2.gz NUADFKPRKWMANX-FPOVZHCZSA-N 1 0 439.560 1.872 20 0 IDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001165005519 722260669 /nfs/dbraw/zinc/26/06/69/722260669.db2.gz XQDHPTBTEQQRSF-HSZRJFAPSA-N 1 0 439.539 1.295 20 0 IDADRO 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CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1nc(Cl)nc3c1CN(C)CC3)C2 ZINC001164434340 718971812 /nfs/dbraw/zinc/97/18/12/718971812.db2.gz QGXZGJWUCJAWIG-SJORKVTESA-N 1 0 433.862 1.639 20 0 IDADRO CN1CCN(Cc2cc3nc(N4CCC[C@H]5[NH2+]C[C@@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164450357 718999821 /nfs/dbraw/zinc/99/98/21/718999821.db2.gz VDJODPNMNWOSOJ-MJGOQNOKSA-N 1 0 443.621 1.216 20 0 IDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001164616489 719013702 /nfs/dbraw/zinc/01/37/02/719013702.db2.gz KVFTYNPLVZWAGZ-AGIUHOORSA-N 1 0 431.871 1.241 20 0 IDADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1 ZINC001164624740 719131215 /nfs/dbraw/zinc/13/12/15/719131215.db2.gz VSHATFHZNZFGDL-CQSZACIVSA-N 1 0 440.834 1.983 20 0 IDADRO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164663930 719359519 /nfs/dbraw/zinc/35/95/19/719359519.db2.gz JBOBGSNAOGTWQW-UHFFFAOYSA-N 1 0 429.594 1.772 20 0 IDADRO CC(C)N(C)Cc1nn(-c2ncccc2S(=O)(=O)N2CCCCC2)c2c1CC[NH2+]C2 ZINC001164680604 719644926 /nfs/dbraw/zinc/64/49/26/719644926.db2.gz XYAWJJCJXALHCS-UHFFFAOYSA-N 1 0 432.594 1.928 20 0 IDADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(C(N)=O)n3)CC2)c2ccccc21 ZINC001164680303 719660754 /nfs/dbraw/zinc/66/07/54/719660754.db2.gz FEOHDHAGMWXVLY-QGZVFWFLSA-N 1 0 436.560 1.669 20 0 IDADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164683476 719691292 /nfs/dbraw/zinc/69/12/92/719691292.db2.gz FXMMMVGMXMFYNM-SFHVURJKSA-N 1 0 439.564 1.358 20 0 IDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(N3CCC(C(=O)OC)CC3)nn1)CC2 ZINC001164684511 719727194 /nfs/dbraw/zinc/72/71/94/719727194.db2.gz HNGWOGBNUGSQDM-UHFFFAOYSA-N 1 0 430.553 1.047 20 0 IDADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001164704290 719879019 /nfs/dbraw/zinc/87/90/19/719879019.db2.gz UXVKKJZISGMDJV-WMZHIEFXSA-N 1 0 432.565 1.693 20 0 IDADRO 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Cn1nnc2c1CCN(c1nccc3c1C(=O)OC3(C)C)[C@H]2COCC[NH+]1CCCC1 ZINC001164719166 720178459 /nfs/dbraw/zinc/17/84/59/720178459.db2.gz SZOGFYBVMBGNAT-KRWDZBQOSA-N 1 0 426.521 1.832 20 0 IDADRO Cn1nnc2c1CCN(c1nccc3c1C(=O)OC3(C)C)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719167 720179105 /nfs/dbraw/zinc/17/91/05/720179105.db2.gz SZOGFYBVMBGNAT-QGZVFWFLSA-N 1 0 426.521 1.832 20 0 IDADRO CCOC(=O)c1cnc(OC)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164720153 720180099 /nfs/dbraw/zinc/18/00/99/720180099.db2.gz ZPEYNIYXOICZFS-KRWDZBQOSA-N 1 0 445.524 1.007 20 0 IDADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164719858 720187498 /nfs/dbraw/zinc/18/74/98/720187498.db2.gz XLWKYPJJYOWDGM-INIZCTEOSA-N 1 0 440.508 1.089 20 0 IDADRO COC(=O)/C=C/c1cc(C)cnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715612 720191862 /nfs/dbraw/zinc/19/18/62/720191862.db2.gz LFGOPJVILCEDOM-ROUKRRSUSA-N 1 0 440.548 1.921 20 0 IDADRO Cn1nnc2c1CCN(c1ccnc(N3CCCCC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716635 720196081 /nfs/dbraw/zinc/19/60/81/720196081.db2.gz QLAHVQFHGVVMMU-LJQANCHMSA-N 1 0 426.569 1.812 20 0 IDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)C2 ZINC001164814639 720199224 /nfs/dbraw/zinc/19/92/24/720199224.db2.gz VMOJTXVZDRIQNY-LIRRHRJNSA-N 1 0 426.970 1.645 20 0 IDADRO Cn1nnc2c1CCN(c1cc(N3CCSCC3)ncn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715132 720201692 /nfs/dbraw/zinc/20/16/92/720201692.db2.gz JCCSUTCGAQREGG-SFHVURJKSA-N 1 0 444.609 1.375 20 0 IDADRO Cn1nnc2c1CCN([C@@H](F)Oc1ccc(Cl)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719679 720206648 /nfs/dbraw/zinc/20/66/48/720206648.db2.gz SGZFYWIRHDEZCI-RDTXWAMCSA-N 1 0 425.896 1.602 20 0 IDADRO Cn1nnc2c1CCN([C@H](F)Oc1ccc(Cl)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719677 720207074 /nfs/dbraw/zinc/20/70/74/720207074.db2.gz SGZFYWIRHDEZCI-KSSFIOAISA-N 1 0 425.896 1.602 20 0 IDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3c(n1)N(C)[C@H](C)C(=O)N3)CCC2 ZINC001164814808 720223880 /nfs/dbraw/zinc/22/38/80/720223880.db2.gz ZNUXPYQLYHMDHB-CQSZACIVSA-N 1 0 426.525 1.061 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc(S(C)(=O)=O)n2)CC1 ZINC001164819155 720285748 /nfs/dbraw/zinc/28/57/48/720285748.db2.gz PSMBMBPYRXCISE-GJZGRUSLSA-N 1 0 441.985 1.445 20 0 IDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc(N3CCOCC3)n2)CC1 ZINC001164821581 720304300 /nfs/dbraw/zinc/30/43/00/720304300.db2.gz KXCDCENJZZEZOM-DLBZAZTESA-N 1 0 449.987 1.273 20 0 IDADRO CCc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(N2CCOCC2)n1 ZINC001164834361 720328034 /nfs/dbraw/zinc/32/80/34/720328034.db2.gz ZQTHJKKDNUYIGI-RTWAWAEBSA-N 1 0 442.608 1.787 20 0 IDADRO CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164822829 720338069 /nfs/dbraw/zinc/33/80/69/720338069.db2.gz FOKMWWTVBYCHGW-RBUKOAKNSA-N 1 0 435.594 1.243 20 0 IDADRO COCCOC(=O)c1ccnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164827483 720350719 /nfs/dbraw/zinc/35/07/19/720350719.db2.gz MGAZHGURHLFNEJ-UXHICEINSA-N 1 0 430.549 1.796 20 0 IDADRO CCNC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164829142 720354927 /nfs/dbraw/zinc/35/49/27/720354927.db2.gz QQWFSPUAYSQBPX-IRXDYDNUSA-N 1 0 434.972 1.791 20 0 IDADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730888 720414380 /nfs/dbraw/zinc/41/43/80/720414380.db2.gz JKDVKFHWEBFZPG-UXHICEINSA-N 1 0 438.532 1.738 20 0 IDADRO O=S(=O)(c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1)N1CCOCC1 ZINC001164726844 720437626 /nfs/dbraw/zinc/43/76/26/720437626.db2.gz CEEOINNUSMDVAA-PMACEKPBSA-N 1 0 429.546 1.351 20 0 IDADRO O=S(=O)(c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1)N1CCOCC1 ZINC001164726855 720438654 /nfs/dbraw/zinc/43/86/54/720438654.db2.gz CEEOINNUSMDVAA-WOJBJXKFSA-N 1 0 429.546 1.351 20 0 IDADRO COc1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(N2CCn3ccnc3C2)n1 ZINC001164732395 720470531 /nfs/dbraw/zinc/47/05/31/720470531.db2.gz ZVVJHMCNQCLFQX-MSOLQXFVSA-N 1 0 433.520 1.345 20 0 IDADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164831177 720473570 /nfs/dbraw/zinc/47/35/70/720473570.db2.gz NFQZVSGNYCSNCD-FQEVSTJZSA-N 1 0 440.592 1.862 20 0 IDADRO CCNS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837967 720566984 /nfs/dbraw/zinc/56/69/84/720566984.db2.gz MYHNHQPCAOHGHW-GUDVDZBRSA-N 1 0 432.594 1.954 20 0 IDADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(N4CCC[C@@H]4C(N)=O)ncn3)CC[C@@H]21 ZINC001164836744 720628258 /nfs/dbraw/zinc/62/82/58/720628258.db2.gz GRTDAWMXPIDCJJ-FUMNGEBKSA-N 1 0 438.580 1.505 20 0 IDADRO c1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164741978 720690912 /nfs/dbraw/zinc/69/09/12/720690912.db2.gz UWVJYQXDSYHWTI-MSOLQXFVSA-N 1 0 433.516 1.598 20 0 IDADRO c1ccc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164741979 720691884 /nfs/dbraw/zinc/69/18/84/720691884.db2.gz UWVJYQXDSYHWTI-QZTJIDSGSA-N 1 0 433.516 1.598 20 0 IDADRO O=S(=O)(c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1)N1CCCCC1 ZINC001164742877 720761080 /nfs/dbraw/zinc/76/10/80/720761080.db2.gz OYJUQFOSTZFAEN-MSOLQXFVSA-N 1 0 444.561 1.388 20 0 IDADRO CCOC(=O)N1CCc2nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cc2C1 ZINC001164739473 720766222 /nfs/dbraw/zinc/76/62/22/720766222.db2.gz IUEJWGFDDDEVGE-SJORKVTESA-N 1 0 425.493 1.123 20 0 IDADRO COC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750098 720811597 /nfs/dbraw/zinc/81/15/97/720811597.db2.gz VDSYLPXTKFLWIO-ZMSDIMECSA-N 1 0 431.928 1.888 20 0 IDADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739166 720815641 /nfs/dbraw/zinc/81/56/41/720815641.db2.gz HKZVCTHJZZATOW-FRQCXROJSA-N 1 0 436.520 1.667 20 0 IDADRO Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738755 720822918 /nfs/dbraw/zinc/82/29/18/720822918.db2.gz 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O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164404987 718863853 /nfs/dbraw/zinc/86/38/53/718863853.db2.gz CBEYAOACNUTWKV-AUJRIZCKSA-N 1 0 438.935 1.807 20 0 IDADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]4[NH2+]C[C@H]43)c2c1C ZINC001164447651 719000531 /nfs/dbraw/zinc/00/05/31/719000531.db2.gz CYXWVBVKPGNCPJ-HUUCEWRRSA-N 1 0 431.562 1.949 20 0 IDADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccnc(N3CCN(C)CC3)n1)C2 ZINC001164616803 719011219 /nfs/dbraw/zinc/01/12/19/719011219.db2.gz LOXZEWJZNXXODQ-JPYJTQIMSA-N 1 0 428.581 1.378 20 0 IDADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc(N4CCOCC4)n3)CC2)CC1 ZINC001164614272 719023616 /nfs/dbraw/zinc/02/36/16/719023616.db2.gz QQQVEJSHGOMAMN-UHFFFAOYSA-N 1 0 438.960 1.606 20 0 IDADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(S(=O)(=O)NC4CC4)cn3)CC2)CC1 ZINC001164617929 719032044 /nfs/dbraw/zinc/03/20/44/719032044.db2.gz PJTPBZVURLCMDX-UHFFFAOYSA-N 1 0 436.578 1.766 20 0 IDADRO COCCN1CCN(C)C2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)C1=O 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430.944 1.966 20 0 IDADRO COCc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(SC)n1 ZINC001164720169 720180828 /nfs/dbraw/zinc/18/08/28/720180828.db2.gz ZUXRAVQDLDZVJY-QGZVFWFLSA-N 1 0 433.582 1.690 20 0 IDADRO CC(C)c1nc(N(C)C)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164719205 720186751 /nfs/dbraw/zinc/18/67/51/720186751.db2.gz UKWJWEJWBHXANB-QGZVFWFLSA-N 1 0 429.573 1.406 20 0 IDADRO CCOC(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(OC)c1 ZINC001164715403 720188611 /nfs/dbraw/zinc/18/86/11/720188611.db2.gz BAJLUWBGRTVWEG-SFHVURJKSA-N 1 0 444.536 1.612 20 0 IDADRO COC(=O)/C=C\c1cc(C)cnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715607 720191356 /nfs/dbraw/zinc/19/13/56/720191356.db2.gz LFGOPJVILCEDOM-HCZHMGAMSA-N 1 0 440.548 1.921 20 0 IDADRO Cn1nnc2c1CCN(c1nnc(Cl)c3c1N(C)CCO3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716076 720194193 /nfs/dbraw/zinc/19/41/93/720194193.db2.gz OZANUKNKDRHUQQ-OAHLLOKOSA-N 1 0 448.959 1.303 20 0 IDADRO Cn1nnc2c1CCN([C@H](F)Oc1cncc(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717097 720202572 /nfs/dbraw/zinc/20/25/72/720202572.db2.gz SBQIHKFMGDFSGF-KDOFPFPSSA-N 1 0 425.896 1.602 20 0 IDADRO CC(C)OC(=O)c1cccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718462 720204121 /nfs/dbraw/zinc/20/41/21/720204121.db2.gz ZOFZGUKHDKIZTD-LJQANCHMSA-N 1 0 428.537 1.992 20 0 IDADRO CCNC(=O)c1cc(Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164719303 720207535 /nfs/dbraw/zinc/20/75/35/720207535.db2.gz QVICUYGKMPBYLW-MRXNPFEDSA-N 1 0 448.959 1.224 20 0 IDADRO CCOC(=O)c1cnc(OC)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813977 720219688 /nfs/dbraw/zinc/21/96/88/720219688.db2.gz QLIISPRRWGEYIA-UHFFFAOYSA-N 1 0 430.509 1.469 20 0 IDADRO Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(N3CC[NH+](C)CC3)nn2)cs1 ZINC001164816347 720250995 /nfs/dbraw/zinc/25/09/95/720250995.db2.gz IGWHJHFSZARGRZ-ROUUACIJSA-N 1 0 427.578 1.763 20 0 IDADRO COCCn1ccc2c1ncnc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833446 720322143 /nfs/dbraw/zinc/32/21/43/720322143.db2.gz XGFKPNLDQLGWFB-WOJBJXKFSA-N 1 0 426.565 1.989 20 0 IDADRO CCNS(=O)(=O)c1cccnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834192 720326500 /nfs/dbraw/zinc/32/65/00/720326500.db2.gz YRKKWFWGLJTVKO-MSOLQXFVSA-N 1 0 435.594 1.291 20 0 IDADRO CCc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(N2CCOCC2)n1 ZINC001164834359 720328015 /nfs/dbraw/zinc/32/80/15/720328015.db2.gz ZQTHJKKDNUYIGI-NHCUHLMSSA-N 1 0 442.608 1.787 20 0 IDADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1[nH+][nH]c(Cl)c3ncnc1-3)C2 ZINC001164832647 720460761 /nfs/dbraw/zinc/46/07/61/720460761.db2.gz UUNKOZBGKUHSOD-CYBMUJFWSA-N 1 0 432.916 1.192 20 0 IDADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001164830680 720465149 /nfs/dbraw/zinc/46/51/49/720465149.db2.gz KTURVQSDSHPJDY-IBGZPJMESA-N 1 0 442.564 1.104 20 0 IDADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164829323 720468067 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