smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cnc(N2CC[NH+](Cc3ccc(C[NH+]4CCN(c5ncccn5)CC4)cc3)CC2)nc1 ZINC000023700717 563027243 /nfs/dbraw/zinc/02/72/43/563027243.db2.gz IWBGVRXSFQLUJR-UHFFFAOYSA-N 2 2 430.560 1.911 20 0 IDADLP c1cnc(N2CC[NH+](Cc3cccc(C[NH+]4CCN(c5ncccn5)CC4)c3)CC2)nc1 ZINC000026014310 563028481 /nfs/dbraw/zinc/02/84/81/563028481.db2.gz DKSGOJXSQQIVPA-UHFFFAOYSA-N 2 2 430.560 1.911 20 0 IDADLP O=C(c1cccnc1N1CCO[C@@H]2C[NH2+]CC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164409563 718863212 /nfs/dbraw/zinc/86/32/12/718863212.db2.gz RHJZVLFLBWLYOT-JTHBVZDNSA-N 2 2 435.572 1.854 20 0 IDADLP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164431782 718969974 /nfs/dbraw/zinc/96/99/74/718969974.db2.gz BIPYZYOFXRHTPY-MOPGFXCFSA-N 3 2 427.471 1.355 20 0 IDADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164653784 719314473 /nfs/dbraw/zinc/31/44/73/719314473.db2.gz ZLVLEEWKURMGGN-UHFFFAOYSA-N 2 2 426.569 1.318 20 0 IDADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)CC2 ZINC001164690052 719748915 /nfs/dbraw/zinc/74/89/15/719748915.db2.gz RHYZFTUOBOCSAY-UHFFFAOYSA-N 2 2 449.603 1.984 20 0 IDADLP CNC(=O)C[N@H+]1CCCC12CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)CC2 ZINC001164690052 719748924 /nfs/dbraw/zinc/74/89/24/719748924.db2.gz RHYZFTUOBOCSAY-UHFFFAOYSA-N 2 2 449.603 1.984 20 0 IDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001164707170 719876922 /nfs/dbraw/zinc/87/69/22/719876922.db2.gz QWVVNOHWVPBCGN-JPYJTQIMSA-N 2 2 432.565 1.787 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)c4cnccn4)C3)[nH+]2)CC1 ZINC001164716739 720054253 /nfs/dbraw/zinc/05/42/53/720054253.db2.gz WXEOQBWGPASBGT-JLMWRMLUSA-N 2 2 437.548 1.037 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H](NC(=O)c4cnccn4)[C@H]4OCCC[C@H]4C3)[nH+]2)CC1 ZINC001164716741 720054763 /nfs/dbraw/zinc/05/47/63/720054763.db2.gz WXEOQBWGPASBGT-KPLVRAHFSA-N 2 2 437.548 1.037 20 0 IDADLP Cc1c[nH+]c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1N1CCCC1 ZINC001164713452 720163800 /nfs/dbraw/zinc/16/38/00/720163800.db2.gz KRJCAYJUWCNARZ-IBGZPJMESA-N 2 2 426.569 1.730 20 0 IDADLP Cn1nnc2c1CCN(c1cc(N3CCSCC3)[nH+]cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715105 720201470 /nfs/dbraw/zinc/20/14/70/720201470.db2.gz JCCSUTCGAQREGG-GOSISDBHSA-N 2 2 444.609 1.375 20 0 IDADLP Cn1nnc2c1CCN(c1cc(N3CCSCC3)nc[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715105 720201475 /nfs/dbraw/zinc/20/14/75/720201475.db2.gz JCCSUTCGAQREGG-GOSISDBHSA-N 2 2 444.609 1.375 20 0 IDADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCSCC3)[nH+]cn1)CCC2 ZINC001164812115 720242631 /nfs/dbraw/zinc/24/26/31/720242631.db2.gz BKDDGNFLFJQVOQ-UHFFFAOYSA-N 2 2 429.594 1.837 20 0 IDADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCSCC3)[nH+]cn1)CCC2 ZINC001164812115 720242638 /nfs/dbraw/zinc/24/26/38/720242638.db2.gz BKDDGNFLFJQVOQ-UHFFFAOYSA-N 2 2 429.594 1.837 20 0 IDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5c(n4)CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164823092 720363635 /nfs/dbraw/zinc/36/36/35/720363635.db2.gz AJPHXSCYEBHQQS-UHFFFAOYSA-N 2 2 427.578 1.200 20 0 IDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5c(n4)CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164823092 720363644 /nfs/dbraw/zinc/36/36/44/720363644.db2.gz AJPHXSCYEBHQQS-UHFFFAOYSA-N 2 2 427.578 1.200 20 0 IDADLP Cc1cc(N2CCCC2)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)[nH+]1 ZINC001164825579 720427672 /nfs/dbraw/zinc/42/76/72/720427672.db2.gz OAKGRRKJPHGODY-LJQANCHMSA-N 2 2 441.580 1.571 20 0 IDADLP Cc1cc(N2CCCC2)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)[nH+]1 ZINC001164825577 720428068 /nfs/dbraw/zinc/42/80/68/720428068.db2.gz OAKGRRKJPHGODY-IBGZPJMESA-N 2 2 441.580 1.571 20 0 IDADLP c1ncc(O[C@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@@H+]3C2)cn1 ZINC001164746805 720755712 /nfs/dbraw/zinc/75/57/12/720755712.db2.gz YOALODCUIAAUSW-ROUUACIJSA-N 2 2 437.552 1.204 20 0 IDADLP c1ncc(O[C@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@H+]3C2)cn1 ZINC001164746805 720755720 /nfs/dbraw/zinc/75/57/20/720755720.db2.gz YOALODCUIAAUSW-ROUUACIJSA-N 2 2 437.552 1.204 20 0 IDADLP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164875643 721276227 /nfs/dbraw/zinc/27/62/27/721276227.db2.gz YITUSHKWSUQORQ-UHFFFAOYSA-N 2 2 430.553 1.085 20 0 IDADLP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164875643 721276233 /nfs/dbraw/zinc/27/62/33/721276233.db2.gz YITUSHKWSUQORQ-UHFFFAOYSA-N 2 2 430.553 1.085 20 0 IDADLP COCCn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892907 721416632 /nfs/dbraw/zinc/41/66/32/721416632.db2.gz ZDGZLWQEAMGMOT-AUSIDOKSSA-N 2 2 428.581 1.843 20 0 IDADLP COCCn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892910 721416680 /nfs/dbraw/zinc/41/66/80/721416680.db2.gz ZDGZLWQEAMGMOT-XXBNENTESA-N 2 2 428.581 1.843 20 0 IDADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001165014191 721766218 /nfs/dbraw/zinc/76/62/18/721766218.db2.gz DYWDEZKJYMQKMY-UHFFFAOYSA-N 2 2 434.548 1.599 20 0 IDADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001165014191 721766220 /nfs/dbraw/zinc/76/62/20/721766220.db2.gz DYWDEZKJYMQKMY-UHFFFAOYSA-N 2 2 434.548 1.599 20 0 IDADLP [NH3+]C1CCN(c2cccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)[nH+]2)CC1 ZINC001164914846 721791776 /nfs/dbraw/zinc/79/17/76/721791776.db2.gz GEZPXXFUAXYXMQ-DEOSSOPVSA-N 3 2 438.576 1.512 20 0 IDADLP [NH3+]C1CCN(c2cccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)[nH+]2)CC1 ZINC001164914846 721791778 /nfs/dbraw/zinc/79/17/78/721791778.db2.gz GEZPXXFUAXYXMQ-DEOSSOPVSA-N 3 2 438.576 1.512 20 0 IDADLP CC(C)C(=O)N1CCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164976763 722088325 /nfs/dbraw/zinc/08/83/25/722088325.db2.gz WOQLWOIYGCYEID-QHCPKHFHSA-N 2 2 428.581 1.177 20 0 IDADLP COCCN1CC[N@H+](C)C2(CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC2)C1=O ZINC001164644507 719284929 /nfs/dbraw/zinc/28/49/29/719284929.db2.gz MLCOMPZCXCQYJX-UHFFFAOYSA-N 2 2 431.581 1.219 20 0 IDADLP COCCN1CC[N@@H+](C)C2(CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC2)C1=O ZINC001164644507 719284931 /nfs/dbraw/zinc/28/49/31/719284931.db2.gz MLCOMPZCXCQYJX-UHFFFAOYSA-N 2 2 431.581 1.219 20 0 IDADLP Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164694700 719835080 /nfs/dbraw/zinc/83/50/80/719835080.db2.gz IOTABAKDYOLIGX-IBGZPJMESA-N 2 2 434.548 1.678 20 0 IDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164703339 719848032 /nfs/dbraw/zinc/84/80/32/719848032.db2.gz QSHCEXFIAOIDFO-HRAATJIYSA-N 2 2 437.972 1.830 20 0 IDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001164704289 719879045 /nfs/dbraw/zinc/87/90/45/719879045.db2.gz UXVKKJZISGMDJV-CVDCTZTESA-N 2 2 432.565 1.693 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCC(=O)N5CCCC5)CC[C@H]43)[nH+]2)CC1 ZINC001164715227 720084859 /nfs/dbraw/zinc/08/48/59/720084859.db2.gz ZLTBARFCGAWLNQ-PWHSHALESA-N 2 2 429.565 1.209 20 0 IDADLP Cc1c[nH+]c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1N1CCCC1 ZINC001164713454 720163018 /nfs/dbraw/zinc/16/30/18/720163018.db2.gz KRJCAYJUWCNARZ-LJQANCHMSA-N 2 2 426.569 1.730 20 0 IDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)CC1 ZINC001164831326 720327185 /nfs/dbraw/zinc/32/71/85/720327185.db2.gz QVVDNNNDTZAJAV-SFTDATJTSA-N 3 2 426.609 1.745 20 0 IDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164824884 720362695 /nfs/dbraw/zinc/36/26/95/720362695.db2.gz PGZNTAKUMQKHNQ-UHFFFAOYSA-N 2 2 427.578 1.200 20 0 IDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164824884 720362702 /nfs/dbraw/zinc/36/27/02/720362702.db2.gz PGZNTAKUMQKHNQ-UHFFFAOYSA-N 2 2 427.578 1.200 20 0 IDADLP CCN(C)c1cc(C)[nH+]c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828051 720427600 /nfs/dbraw/zinc/42/76/00/720427600.db2.gz VWLVNYNTBOFOEW-GOSISDBHSA-N 2 2 429.569 1.427 20 0 IDADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)CC1 ZINC001164729578 720573645 /nfs/dbraw/zinc/57/36/45/720573645.db2.gz RABIJDMEYWUSKH-UHFFFAOYSA-N 2 2 439.564 1.721 20 0 IDADLP c1ncc(O[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@@H+]3C2)cn1 ZINC001164746800 720756253 /nfs/dbraw/zinc/75/62/53/720756253.db2.gz YOALODCUIAAUSW-MSOLQXFVSA-N 2 2 437.552 1.204 20 0 IDADLP c1ncc(O[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@H+]3C2)cn1 ZINC001164746800 720756260 /nfs/dbraw/zinc/75/62/60/720756260.db2.gz YOALODCUIAAUSW-MSOLQXFVSA-N 2 2 437.552 1.204 20 0 IDADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)cc[nH+]3)CC[C@@H]2C1 ZINC001164860209 720852961 /nfs/dbraw/zinc/85/29/61/720852961.db2.gz VWQORHUJJBFPNM-UTKZUKDTSA-N 2 2 425.533 1.536 20 0 IDADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)cc[nH+]3)CC[C@@H]2C1 ZINC001164860209 720852963 /nfs/dbraw/zinc/85/29/63/720852963.db2.gz VWQORHUJJBFPNM-UTKZUKDTSA-N 2 2 425.533 1.536 20 0 IDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCC(C(=O)OC)CC4)cc[nH+]3)CC[C@H]2C1 ZINC001164851511 720866518 /nfs/dbraw/zinc/86/65/18/720866518.db2.gz AGYJDYDULVBSJL-OALUTQOASA-N 2 2 433.553 1.040 20 0 IDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCC(C(=O)OC)CC4)cc[nH+]3)CC[C@H]2C1 ZINC001164851511 720866519 /nfs/dbraw/zinc/86/65/19/720866519.db2.gz AGYJDYDULVBSJL-OALUTQOASA-N 2 2 433.553 1.040 20 0 IDADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164855063 720896044 /nfs/dbraw/zinc/89/60/44/720896044.db2.gz ADFOBRROPOZONR-UHFFFAOYSA-N 2 2 435.532 1.768 20 0 IDADLP COC(=O)C1CCN(c2cc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)CC1 ZINC001164762011 721170005 /nfs/dbraw/zinc/17/00/05/721170005.db2.gz BUNHPPJNCFLSNR-UXHICEINSA-N 2 2 439.564 1.558 20 0 IDADLP COC(=O)C1CCN(c2cc[nH+]c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)CC1 ZINC001164762011 721170012 /nfs/dbraw/zinc/17/00/12/721170012.db2.gz BUNHPPJNCFLSNR-UXHICEINSA-N 2 2 439.564 1.558 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4OCC[C@@H]4[C@@H](C(=O)NCc4cccnc4)C3)[nH+]2)CC1 ZINC001164877358 721303825 /nfs/dbraw/zinc/30/38/25/721303825.db2.gz INPDPPPNNBLZMG-HKBOAZHASA-N 2 2 436.560 1.386 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4OCC[C@@H]4[C@H](C(=O)NCc4cccnc4)C3)[nH+]2)CC1 ZINC001164877360 721303870 /nfs/dbraw/zinc/30/38/70/721303870.db2.gz INPDPPPNNBLZMG-NJYVYQBISA-N 2 2 436.560 1.386 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@H](CC(=O)N5CCC(F)CC5)[C@H]4C3)[nH+]2)CC1 ZINC001164891550 721478233 /nfs/dbraw/zinc/47/82/33/721478233.db2.gz CTAZYWROCIAGNY-SFHLNBCPSA-N 2 2 445.583 1.883 20 0 IDADLP Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CC[NH2+]C2 ZINC001164911403 721772609 /nfs/dbraw/zinc/77/26/09/721772609.db2.gz GOXYUUZJHOCBJX-OAQYLSRUSA-N 2 2 430.940 1.279 20 0 IDADLP Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CC[NH2+]C2 ZINC001164911403 721772611 /nfs/dbraw/zinc/77/26/11/721772611.db2.gz GOXYUUZJHOCBJX-OAQYLSRUSA-N 2 2 430.940 1.279 20 0 IDADLP Clc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2c(n1)C[NH2+]CC2 ZINC001164915622 721792255 /nfs/dbraw/zinc/79/22/55/721792255.db2.gz MBXWIPDBDRPAGW-JOCHJYFZSA-N 2 2 429.952 1.884 20 0 IDADLP Clc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2c(n1)C[NH2+]CC2 ZINC001164915622 721792257 /nfs/dbraw/zinc/79/22/57/721792257.db2.gz MBXWIPDBDRPAGW-JOCHJYFZSA-N 2 2 429.952 1.884 20 0 IDADLP COc1ccc(CN2C(=O)CO[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]32)cc1 ZINC001165018301 721796294 /nfs/dbraw/zinc/79/62/94/721796294.db2.gz HOURRKTXXQUCFP-SFTDATJTSA-N 2 2 437.544 1.458 20 0 IDADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2)CC1 ZINC001165002690 722239667 /nfs/dbraw/zinc/23/96/67/722239667.db2.gz XHCJRBXHDSTABL-UHFFFAOYSA-N 3 2 437.592 1.702 20 0 IDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164708614 719919710 /nfs/dbraw/zinc/91/97/10/719919710.db2.gz NDZGWYBXGQCMPM-UHFFFAOYSA-N 2 2 429.956 1.065 20 0 IDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)CC1 ZINC001164831324 720327412 /nfs/dbraw/zinc/32/74/12/720327412.db2.gz QVVDNNNDTZAJAV-NHCUHLMSSA-N 3 2 426.609 1.745 20 0 IDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC001164821526 720347471 /nfs/dbraw/zinc/34/74/71/720347471.db2.gz ANZCXHDXNUEPEK-RBUKOAKNSA-N 2 2 430.622 1.941 20 0 IDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC001164821526 720347477 /nfs/dbraw/zinc/34/74/77/720347477.db2.gz ANZCXHDXNUEPEK-RBUKOAKNSA-N 2 2 430.622 1.941 20 0 IDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164831479 720481722 /nfs/dbraw/zinc/48/17/22/720481722.db2.gz GOSPIESYIXULCX-NRFANRHFSA-N 2 2 440.592 1.864 20 0 IDADLP c1ncc(O[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@@H+]3C2)cn1 ZINC001164746808 720756034 /nfs/dbraw/zinc/75/60/34/720756034.db2.gz YOALODCUIAAUSW-ZWKOTPCHSA-N 2 2 437.552 1.204 20 0 IDADLP c1ncc(O[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@H+]3C2)cn1 ZINC001164746808 720756042 /nfs/dbraw/zinc/75/60/42/720756042.db2.gz YOALODCUIAAUSW-ZWKOTPCHSA-N 2 2 437.552 1.204 20 0 IDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC[C@H]2C1 ZINC001164860472 720874371 /nfs/dbraw/zinc/87/43/71/720874371.db2.gz ONULXUAKSYHWJJ-OALUTQOASA-N 2 2 431.585 1.246 20 0 IDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC[C@H]2C1 ZINC001164860472 720874373 /nfs/dbraw/zinc/87/43/73/720874373.db2.gz ONULXUAKSYHWJJ-OALUTQOASA-N 2 2 431.585 1.246 20 0 IDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC[C@H]2C1 ZINC001164860472 720874377 /nfs/dbraw/zinc/87/43/77/720874377.db2.gz ONULXUAKSYHWJJ-OALUTQOASA-N 2 2 431.585 1.246 20 0 IDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC[C@H]2C1 ZINC001164860472 720874380 /nfs/dbraw/zinc/87/43/80/720874380.db2.gz ONULXUAKSYHWJJ-OALUTQOASA-N 2 2 431.585 1.246 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4CO[C@@H](CNC(=O)c5ccno5)[C@@H]4C3)[nH+]2)CC1 ZINC001164862400 720910594 /nfs/dbraw/zinc/91/05/94/720910594.db2.gz VUKCACNXVSDVCL-LMMKCTJWSA-N 2 2 426.521 1.093 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)c4cccnc4)C3)[nH+]2)CC1 ZINC001164780369 721380743 /nfs/dbraw/zinc/38/07/43/721380743.db2.gz GNCJRYKIVDOVKU-JTAQYXEDSA-N 2 2 436.560 1.642 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)[nH+]2)CC1 ZINC001165018093 721776638 /nfs/dbraw/zinc/77/66/38/721776638.db2.gz IKUUBMCNBRSASK-CVDCTZTESA-N 2 2 429.565 1.068 20 0 IDADLP [NH3+]C1CCN(c2cccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)[nH+]2)CC1 ZINC001164914847 721791562 /nfs/dbraw/zinc/79/15/62/721791562.db2.gz GEZPXXFUAXYXMQ-XMMPIXPASA-N 3 2 438.576 1.512 20 0 IDADLP [NH3+]C1CCN(c2cccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)[nH+]2)CC1 ZINC001164914847 721791568 /nfs/dbraw/zinc/79/15/68/721791568.db2.gz GEZPXXFUAXYXMQ-XMMPIXPASA-N 3 2 438.576 1.512 20 0 IDADLP COc1ccc(CN2C(=O)CO[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]32)cc1 ZINC001165018299 721796081 /nfs/dbraw/zinc/79/60/81/721796081.db2.gz HOURRKTXXQUCFP-RTWAWAEBSA-N 2 2 437.544 1.458 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C[C@H](OCC(=O)N5CCCC5)CO4)C3)[nH+]2)CC1 ZINC001164937595 721918350 /nfs/dbraw/zinc/91/83/50/721918350.db2.gz DTJYOAAAQFLCBZ-CVDCTZTESA-N 2 2 429.565 1.210 20 0 IDADLP C(C[NH+]1CCCC1)[C@H]1CCCCN1c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001165046155 721966337 /nfs/dbraw/zinc/96/63/37/721966337.db2.gz HPMRJRDTYSZDNZ-LJQANCHMSA-N 2 2 431.585 1.390 20 0 IDADLP [NH3+]C1CCN(c2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)CC1 ZINC001164963301 722057788 /nfs/dbraw/zinc/05/77/88/722057788.db2.gz WEORWXUEJFTGOY-UHFFFAOYSA-N 3 2 437.592 1.918 20 0 IDADLP [NH3+]C1CCN(c2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)CC1 ZINC001164963301 722057791 /nfs/dbraw/zinc/05/77/91/722057791.db2.gz WEORWXUEJFTGOY-UHFFFAOYSA-N 3 2 437.592 1.918 20 0 IDADLP O=C(c1cccnc1N1CC(=O)NC2(CC[NH2+]CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164389943 718809151 /nfs/dbraw/zinc/80/91/51/718809151.db2.gz LPULJQKHCJGKDD-UHFFFAOYSA-N 2 2 448.571 1.098 20 0 IDADLP CN1CC[NH+](Cc2cc3nc(N4CC[C@H]5[NH2+]CC[C@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164410458 718875586 /nfs/dbraw/zinc/87/55/86/718875586.db2.gz BQEFAMZHGHAWHH-IEBWSBKVSA-N 2 2 443.621 1.216 20 0 IDADLP CN1CC[NH+](Cc2cc3nc(N4CC[C@H]5C[C@@]5([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164417893 718896106 /nfs/dbraw/zinc/89/61/06/718896106.db2.gz AVUPSRIVROQLJX-KSFYIVLOSA-N 2 2 443.621 1.203 20 0 IDADLP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164620213 719009476 /nfs/dbraw/zinc/00/94/76/719009476.db2.gz YASWESULCFCGDL-NTKDMRAZSA-N 3 2 427.593 1.983 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H](C)[N@H+](C)C[C@@H]2C)C[NH2+]1 ZINC001164633599 719199177 /nfs/dbraw/zinc/19/91/77/719199177.db2.gz HUBIROAAJBYWLY-DFHZNHDVSA-N 2 2 429.521 1.450 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C[NH2+]1 ZINC001164633599 719199179 /nfs/dbraw/zinc/19/91/79/719199179.db2.gz HUBIROAAJBYWLY-DFHZNHDVSA-N 2 2 429.521 1.450 20 0 IDADLP COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC2)C1=O ZINC001164634723 719271511 /nfs/dbraw/zinc/27/15/11/719271511.db2.gz MVEMGIAGKFWRGZ-UHFFFAOYSA-N 2 2 436.988 1.356 20 0 IDADLP COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC2)C1=O ZINC001164634723 719271517 /nfs/dbraw/zinc/27/15/17/719271517.db2.gz MVEMGIAGKFWRGZ-UHFFFAOYSA-N 2 2 436.988 1.356 20 0 IDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001164707169 719876859 /nfs/dbraw/zinc/87/68/59/719876859.db2.gz QWVVNOHWVPBCGN-FDDCHVKYSA-N 2 2 432.565 1.787 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H](NC(=O)c4cnccn4)[C@@H]4OCCC[C@H]4C3)[nH+]2)CC1 ZINC001164716745 720054528 /nfs/dbraw/zinc/05/45/28/720054528.db2.gz WXEOQBWGPASBGT-LRXVAGHRSA-N 2 2 437.548 1.037 20 0 IDADLP COCc1nn(-c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2c1C[NH2+]C2 ZINC001164714324 720078587 /nfs/dbraw/zinc/07/85/87/720078587.db2.gz VKSFAEUVXROWMV-UHFFFAOYSA-N 2 2 432.528 1.975 20 0 IDADLP Cn1nnc2c1CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717660 720188354 /nfs/dbraw/zinc/18/83/54/720188354.db2.gz LDWLOXUFIDOHIL-FQEVSTJZSA-N 3 2 440.596 1.178 20 0 IDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(N3CCCC3)cc[nH+]1)C2 ZINC001164828805 720462668 /nfs/dbraw/zinc/46/26/68/720462668.db2.gz AYQUJAZAMBEZJA-IBGZPJMESA-N 2 2 426.565 1.868 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@]4(C(=O)NCCc4ccccc4)C3)[nH+]2)CC1 ZINC001164854643 720816472 /nfs/dbraw/zinc/81/64/72/720816472.db2.gz UWYVIAFAQZGARV-PXDATVDWSA-N 2 2 435.572 1.645 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164743091 720836559 /nfs/dbraw/zinc/83/65/59/720836559.db2.gz INLRTMANVOOWCZ-YPAWHYETSA-N 3 2 436.608 1.804 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164743091 720836560 /nfs/dbraw/zinc/83/65/60/720836560.db2.gz INLRTMANVOOWCZ-YPAWHYETSA-N 3 2 436.608 1.804 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4CO[C@H](CNC(=O)c5ccno5)[C@H]4C3)[nH+]2)CC1 ZINC001164862405 720910843 /nfs/dbraw/zinc/91/08/43/720910843.db2.gz VUKCACNXVSDVCL-ZIFCJYIRSA-N 2 2 426.521 1.093 20 0 IDADLP Cn1cccc1C(=O)NCc1cn2c(n1)CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164868832 721200783 /nfs/dbraw/zinc/20/07/83/721200783.db2.gz OCDVNEUAJVNNLN-UHFFFAOYSA-N 2 2 434.548 1.319 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164882153 721308671 /nfs/dbraw/zinc/30/86/71/721308671.db2.gz ZWHWXCUEFXSEPH-OALUTQOASA-N 2 2 427.574 1.590 20 0 IDADLP COCCn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892909 721416696 /nfs/dbraw/zinc/41/66/96/721416696.db2.gz ZDGZLWQEAMGMOT-WMZHIEFXSA-N 2 2 428.581 1.843 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCCCn5cccn5)CC[C@@H]43)[nH+]2)CC1 ZINC001165020112 721781218 /nfs/dbraw/zinc/78/12/18/721781218.db2.gz LRGGFUWRMBLVAI-MZKRTTBSSA-N 2 2 426.565 1.873 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C3)COCCN(c3ncc(F)cn3)C4)[nH+]2)CC1 ZINC001164924252 721846266 /nfs/dbraw/zinc/84/62/66/721846266.db2.gz XUWSYAMXGXUKMY-QHCPKHFHSA-N 2 2 441.555 1.886 20 0 IDADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCC[C@H]([NH+](C)C)C2)C[NH2+]1 ZINC001165038465 721891469 /nfs/dbraw/zinc/89/14/69/721891469.db2.gz IETWPHIJQHNRHC-GMBSWORKSA-N 2 2 429.521 1.451 20 0 IDADLP COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC001165042943 721945499 /nfs/dbraw/zinc/94/54/99/721945499.db2.gz ZXNLJXGEBMUXEV-YLJYHZDGSA-N 2 2 443.548 1.699 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cscn4)[C@H]4OCCC[C@@H]43)[nH+]2)CC1 ZINC001164950305 722000537 /nfs/dbraw/zinc/00/05/37/722000537.db2.gz HEXSWAMGEKQRIB-RIFZZMRRSA-N 2 2 428.562 1.456 20 0 IDADLP CN1CC[NH+](Cc2cc3nc(N4CC[C@H]5[NH2+]CC[C@@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164410459 718875796 /nfs/dbraw/zinc/87/57/96/718875796.db2.gz BQEFAMZHGHAWHH-MJGOQNOKSA-N 2 2 443.621 1.216 20 0 IDADLP CN1CC[NH+](Cc2cc3nc(N4CC[C@@H]5C[C@]5([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164417895 718896008 /nfs/dbraw/zinc/89/60/08/718896008.db2.gz AVUPSRIVROQLJX-ZHRRBRCNSA-N 2 2 443.621 1.203 20 0 IDADLP Cc1oncc1C(=O)N[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C[C@@H]2CCCO[C@@H]12 ZINC001164653355 719319994 /nfs/dbraw/zinc/31/99/94/719319994.db2.gz MCADTWVZQWGLNU-LRXVAGHRSA-N 2 2 440.548 1.544 20 0 IDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164700531 719864032 /nfs/dbraw/zinc/86/40/32/719864032.db2.gz DUPIRWAFLMMIRO-XXBNENTESA-N 2 2 432.565 1.789 20 0 IDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164700526 719864089 /nfs/dbraw/zinc/86/40/89/719864089.db2.gz DUPIRWAFLMMIRO-AUSIDOKSSA-N 2 2 432.565 1.789 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCC(=O)N3CCCC3)[nH+]2)CC1 ZINC001164715223 720084570 /nfs/dbraw/zinc/08/45/70/720084570.db2.gz ZLTBARFCGAWLNQ-MSYCTHLASA-N 2 2 429.565 1.209 20 0 IDADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715610 720191591 /nfs/dbraw/zinc/19/15/91/720191591.db2.gz LFGOPJVILCEDOM-PXDRNWIDSA-N 2 2 440.548 1.921 20 0 IDADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4cc(OC)c(OC)cc43)C2)C1 ZINC001164720303 720256876 /nfs/dbraw/zinc/25/68/76/720256876.db2.gz UJBSFYYXSLEIIF-QHCPKHFHSA-N 2 2 428.533 1.917 20 0 IDADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4cc(OC)c(OC)cc43)C2)C1 ZINC001164720303 720256888 /nfs/dbraw/zinc/25/68/88/720256888.db2.gz UJBSFYYXSLEIIF-QHCPKHFHSA-N 2 2 428.533 1.917 20 0 IDADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc4cc(OC)c(OC)cc4c[nH+]3)C2)C1 ZINC001164721266 720292590 /nfs/dbraw/zinc/29/25/90/720292590.db2.gz ISDCSHASGZFLSN-HSZRJFAPSA-N 2 2 428.533 1.917 20 0 IDADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc4cc(OC)c(OC)cc4c[nH+]3)C2)C1 ZINC001164721266 720292597 /nfs/dbraw/zinc/29/25/97/720292597.db2.gz ISDCSHASGZFLSN-HSZRJFAPSA-N 2 2 428.533 1.917 20 0 IDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)CC1 ZINC001164831323 720327378 /nfs/dbraw/zinc/32/73/78/720327378.db2.gz QVVDNNNDTZAJAV-LEWJYISDSA-N 3 2 426.609 1.745 20 0 IDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164830051 720469953 /nfs/dbraw/zinc/46/99/53/720469953.db2.gz IWCJJSRWXWKYAM-NRFANRHFSA-N 2 2 440.592 1.864 20 0 IDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCC(C(=O)OC)CC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164851510 720866315 /nfs/dbraw/zinc/86/63/15/720866315.db2.gz AGYJDYDULVBSJL-MOPGFXCFSA-N 2 2 433.553 1.040 20 0 IDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCC(C(=O)OC)CC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164851510 720866316 /nfs/dbraw/zinc/86/63/16/720866316.db2.gz AGYJDYDULVBSJL-MOPGFXCFSA-N 2 2 433.553 1.040 20 0 IDADLP COC(=O)C1CCN(c2cc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)CC1 ZINC001164762010 721169232 /nfs/dbraw/zinc/16/92/32/721169232.db2.gz BUNHPPJNCFLSNR-PMACEKPBSA-N 2 2 439.564 1.558 20 0 IDADLP COC(=O)C1CCN(c2cc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)CC1 ZINC001164762010 721169240 /nfs/dbraw/zinc/16/92/40/721169240.db2.gz BUNHPPJNCFLSNR-PMACEKPBSA-N 2 2 439.564 1.558 20 0 IDADLP COC(=O)C1CCN(c2cc[nH+]c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)CC1 ZINC001164762013 721169698 /nfs/dbraw/zinc/16/96/98/721169698.db2.gz BUNHPPJNCFLSNR-WOJBJXKFSA-N 2 2 439.564 1.558 20 0 IDADLP COC(=O)C1CCN(c2cc[nH+]c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)CC1 ZINC001164762013 721169706 /nfs/dbraw/zinc/16/97/06/721169706.db2.gz BUNHPPJNCFLSNR-WOJBJXKFSA-N 2 2 439.564 1.558 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@H](C(=O)NCc5ccco5)[C@H]4C3)[nH+]2)CC1 ZINC001164767181 721255474 /nfs/dbraw/zinc/25/54/74/721255474.db2.gz WCPOHAUGYZKDCN-HOJAQTOUSA-N 2 2 425.533 1.442 20 0 IDADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164872448 721280893 /nfs/dbraw/zinc/28/08/93/721280893.db2.gz DDDOUWLEFPRMCW-WAYWQWQTSA-N 2 2 430.549 1.583 20 0 IDADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164872448 721280897 /nfs/dbraw/zinc/28/08/97/721280897.db2.gz DDDOUWLEFPRMCW-WAYWQWQTSA-N 2 2 430.549 1.583 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164882152 721308384 /nfs/dbraw/zinc/30/83/84/721308384.db2.gz ZWHWXCUEFXSEPH-KDURUIRLSA-N 2 2 427.574 1.590 20 0 IDADLP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)C3)O2)CC1 ZINC001164890273 721427637 /nfs/dbraw/zinc/42/76/37/721427637.db2.gz CXNNJFRTUKQOQS-URXFXBBRSA-N 3 2 428.625 1.775 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCOC[C@]4(CN(c5ccsc5)C(=O)CO4)C3)[nH+]2)CC1 ZINC001164803590 721594316 /nfs/dbraw/zinc/59/43/16/721594316.db2.gz XDGAMMFFRZMBRS-JOCHJYFZSA-N 2 2 443.573 1.534 20 0 IDADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001165014080 721765840 /nfs/dbraw/zinc/76/58/40/721765840.db2.gz CQMHXESRTMWXPF-UHFFFAOYSA-N 2 2 434.548 1.600 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCCCn5cccn5)CC[C@H]43)[nH+]2)CC1 ZINC001165020114 721781381 /nfs/dbraw/zinc/78/13/81/721781381.db2.gz LRGGFUWRMBLVAI-VIZSFHNOSA-N 2 2 426.565 1.873 20 0 IDADLP COc1ccc(CN2C(=O)CO[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]32)cc1 ZINC001165018297 721796096 /nfs/dbraw/zinc/79/60/96/721796096.db2.gz HOURRKTXXQUCFP-NHCUHLMSSA-N 2 2 437.544 1.458 20 0 IDADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N(C)CC2CC[NH+](C)CC2)C[NH2+]1 ZINC001165041381 721934083 /nfs/dbraw/zinc/93/40/83/721934083.db2.gz SZKRCTSTNLDNGC-XLIONFOSSA-N 2 2 443.548 1.699 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)CN(Cc3cccnc3)C(=O)CO4)[nH+]2)CC1 ZINC001164951859 722002748 /nfs/dbraw/zinc/00/27/48/722002748.db2.gz OBNLEAYGEAWMJV-UHFFFAOYSA-N 2 2 436.560 1.626 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCC4(C[C@@H](C(=O)N5CCOCC5)CO4)CC3)[nH+]2)CC1 ZINC001164957332 722045478 /nfs/dbraw/zinc/04/54/78/722045478.db2.gz BFROBVKIJBOLNP-LJQANCHMSA-N 2 2 429.565 1.068 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(S(C)(=O)=O)c5ccccc5[C@H]4C3)[nH+]2)CC1 ZINC001164971333 722090181 /nfs/dbraw/zinc/09/01/81/722090181.db2.gz BJVZIYCOUJRNLD-MJGOQNOKSA-N 2 2 427.574 1.833 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(S(C)(=O)=O)c5ccccc5[C@@H]4C3)[nH+]2)CC1 ZINC001164971332 722090279 /nfs/dbraw/zinc/09/02/79/722090279.db2.gz BJVZIYCOUJRNLD-IEBWSBKVSA-N 2 2 427.574 1.833 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4CN(S(C)(=O)=O)c5ccccc5[C@H]4C3)[nH+]2)CC1 ZINC001164971331 722090313 /nfs/dbraw/zinc/09/03/13/722090313.db2.gz BJVZIYCOUJRNLD-HKUYNNGSSA-N 2 2 427.574 1.833 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(CC(C(=O)NCc5ccncc5)=NO4)C3)[nH+]2)CC1 ZINC001164994932 722218484 /nfs/dbraw/zinc/21/84/84/722218484.db2.gz FAQLQLZQGCWMNG-DEOSSOPVSA-N 2 2 449.559 1.660 20 0 IDADLP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)[nH+]cc21 ZINC001164639144 719279202 /nfs/dbraw/zinc/27/92/02/719279202.db2.gz IGNVPILEUSDVKW-UHFFFAOYSA-N 2 2 429.521 1.499 20 0 IDADLP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)[nH+]cc21 ZINC001164639144 719279205 /nfs/dbraw/zinc/27/92/05/719279205.db2.gz IGNVPILEUSDVKW-UHFFFAOYSA-N 2 2 429.521 1.499 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)c4cnccn4)C3)[nH+]2)CC1 ZINC001164716743 720054170 /nfs/dbraw/zinc/05/41/70/720054170.db2.gz WXEOQBWGPASBGT-LQBOVUBWSA-N 2 2 437.548 1.037 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](OCC(=O)N5CCCC5)CC[C@@H]43)[nH+]2)CC1 ZINC001164715347 720084733 /nfs/dbraw/zinc/08/47/33/720084733.db2.gz ZLTBARFCGAWLNQ-YDHSSHFGSA-N 2 2 429.565 1.209 20 0 IDADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164717636 720180693 /nfs/dbraw/zinc/18/06/93/720180693.db2.gz KXXBNLCJWZJXFC-SFHVURJKSA-N 2 2 428.537 1.830 20 0 IDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1[nH+][nH]c(Cl)c3ncnc1-3)C2 ZINC001164832648 720460309 /nfs/dbraw/zinc/46/03/09/720460309.db2.gz UUNKOZBGKUHSOD-ZDUSSCGKSA-N 2 2 432.916 1.192 20 0 IDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(C3CC[NH2+]CC3)n1)C2 ZINC001164829295 720463291 /nfs/dbraw/zinc/46/32/91/720463291.db2.gz FIQXHPFVAAXGMG-LJQANCHMSA-N 2 2 441.580 1.130 20 0 IDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC[C@@H]2C1 ZINC001164860485 720874318 /nfs/dbraw/zinc/87/43/18/720874318.db2.gz ONULXUAKSYHWJJ-RTBURBONSA-N 2 2 431.585 1.246 20 0 IDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC[C@@H]2C1 ZINC001164860485 720874322 /nfs/dbraw/zinc/87/43/22/720874322.db2.gz ONULXUAKSYHWJJ-RTBURBONSA-N 2 2 431.585 1.246 20 0 IDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC[C@@H]2C1 ZINC001164860485 720874325 /nfs/dbraw/zinc/87/43/25/720874325.db2.gz ONULXUAKSYHWJJ-RTBURBONSA-N 2 2 431.585 1.246 20 0 IDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC[C@@H]2C1 ZINC001164860485 720874328 /nfs/dbraw/zinc/87/43/28/720874328.db2.gz ONULXUAKSYHWJJ-RTBURBONSA-N 2 2 431.585 1.246 20 0 IDADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164767636 721195323 /nfs/dbraw/zinc/19/53/23/721195323.db2.gz KHFPHHQSQNVKFW-PMACEKPBSA-N 2 2 437.596 1.764 20 0 IDADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164767636 721195327 /nfs/dbraw/zinc/19/53/27/721195327.db2.gz KHFPHHQSQNVKFW-PMACEKPBSA-N 2 2 437.596 1.764 20 0 IDADLP Clc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2c(n1)C[NH2+]CC2 ZINC001164915624 721792538 /nfs/dbraw/zinc/79/25/38/721792538.db2.gz MBXWIPDBDRPAGW-QFIPXVFZSA-N 2 2 429.952 1.884 20 0 IDADLP Clc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2c(n1)C[NH2+]CC2 ZINC001164915624 721792545 /nfs/dbraw/zinc/79/25/45/721792545.db2.gz MBXWIPDBDRPAGW-QFIPXVFZSA-N 2 2 429.952 1.884 20 0 IDADLP COC(=O)[C@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N(C)CC2CC[NH+](C)CC2)C[NH2+]1 ZINC001165041379 721933967 /nfs/dbraw/zinc/93/39/67/721933967.db2.gz SZKRCTSTNLDNGC-FXAWDEMLSA-N 2 2 443.548 1.699 20 0 IDADLP C[NH+]1CCN(c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)CC1 ZINC001164944379 721970091 /nfs/dbraw/zinc/97/00/91/721970091.db2.gz IBUQZKMZIFRKAM-UHFFFAOYSA-N 2 2 435.576 1.199 20 0 IDADLP C[NH+]1CCN(c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)CC1 ZINC001164944379 721970094 /nfs/dbraw/zinc/97/00/94/721970094.db2.gz IBUQZKMZIFRKAM-UHFFFAOYSA-N 2 2 435.576 1.199 20 0 IDADLP [NH3+]C1CCN(c2cccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)[nH+]2)CC1 ZINC001164947509 721977226 /nfs/dbraw/zinc/97/72/26/721977226.db2.gz PFVFUQHIYQSESX-UHFFFAOYSA-N 3 2 434.588 1.980 20 0 IDADLP [NH3+]C1CCN(c2cccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)[nH+]2)CC1 ZINC001164947509 721977227 /nfs/dbraw/zinc/97/72/27/721977227.db2.gz PFVFUQHIYQSESX-UHFFFAOYSA-N 3 2 434.588 1.980 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cscn4)[C@@H]4OCCC[C@H]43)[nH+]2)CC1 ZINC001164950306 722000635 /nfs/dbraw/zinc/00/06/35/722000635.db2.gz HEXSWAMGEKQRIB-VPWXQRGCSA-N 2 2 428.562 1.456 20 0 IDADLP CN1CC[NH+](Cc2cc3nc(N4CCC[C@@H]5[NH2+]C[C@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164450358 718999538 /nfs/dbraw/zinc/99/95/38/718999538.db2.gz VDJODPNMNWOSOJ-PKOBYXMFSA-N 2 2 443.621 1.216 20 0 IDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164703341 719848291 /nfs/dbraw/zinc/84/82/91/719848291.db2.gz QSHCEXFIAOIDFO-IIBYNOLFSA-N 2 2 437.972 1.830 20 0 IDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001164707171 719876614 /nfs/dbraw/zinc/87/66/14/719876614.db2.gz QWVVNOHWVPBCGN-MBSDFSHPSA-N 2 2 432.565 1.787 20 0 IDADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4cc(OC)c(OC)cc43)C2)C1 ZINC001164720301 720255364 /nfs/dbraw/zinc/25/53/64/720255364.db2.gz UJBSFYYXSLEIIF-HSZRJFAPSA-N 2 2 428.533 1.917 20 0 IDADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4cc(OC)c(OC)cc43)C2)C1 ZINC001164720301 720255368 /nfs/dbraw/zinc/25/53/68/720255368.db2.gz UJBSFYYXSLEIIF-HSZRJFAPSA-N 2 2 428.533 1.917 20 0 IDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5c(nn4)CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164819752 720374782 /nfs/dbraw/zinc/37/47/82/720374782.db2.gz IFCCTKYNQYISTC-UHFFFAOYSA-N 2 2 427.578 1.200 20 0 IDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5c(nn4)CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164819752 720374790 /nfs/dbraw/zinc/37/47/90/720374790.db2.gz IFCCTKYNQYISTC-UHFFFAOYSA-N 2 2 427.578 1.200 20 0 IDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)cc[nH+]3)CC[C@H]2C1 ZINC001164860207 720852847 /nfs/dbraw/zinc/85/28/47/720852847.db2.gz VWQORHUJJBFPNM-LAUBAEHRSA-N 2 2 425.533 1.536 20 0 IDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)cc[nH+]3)CC[C@H]2C1 ZINC001164860207 720852848 /nfs/dbraw/zinc/85/28/48/720852848.db2.gz VWQORHUJJBFPNM-LAUBAEHRSA-N 2 2 425.533 1.536 20 0 IDADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164862039 721036298 /nfs/dbraw/zinc/03/62/98/721036298.db2.gz KOEBYOCVDCKPMP-DEOSSOPVSA-N 2 2 449.559 1.073 20 0 IDADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164767639 721194574 /nfs/dbraw/zinc/19/45/74/721194574.db2.gz KHFPHHQSQNVKFW-UXHICEINSA-N 2 2 437.596 1.764 20 0 IDADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164767639 721194590 /nfs/dbraw/zinc/19/45/90/721194590.db2.gz KHFPHHQSQNVKFW-UXHICEINSA-N 2 2 437.596 1.764 20 0 IDADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164872447 721280643 /nfs/dbraw/zinc/28/06/43/721280643.db2.gz DDDOUWLEFPRMCW-AATRIKPKSA-N 2 2 430.549 1.583 20 0 IDADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164872447 721280647 /nfs/dbraw/zinc/28/06/47/721280647.db2.gz DDDOUWLEFPRMCW-AATRIKPKSA-N 2 2 430.549 1.583 20 0 IDADLP CCc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(N2CCOCC2)[nH+]1 ZINC001164886657 721423751 /nfs/dbraw/zinc/42/37/51/721423751.db2.gz KJBLNRFNAUQVGP-ZJSXRUAMSA-N 2 2 444.624 1.641 20 0 IDADLP CCc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(N2CCOCC2)[nH+]1 ZINC001164886657 721423756 /nfs/dbraw/zinc/42/37/56/721423756.db2.gz KJBLNRFNAUQVGP-ZJSXRUAMSA-N 2 2 444.624 1.641 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@H](CC(=O)N5CCC(F)CC5)[C@H]4C3)[nH+]2)CC1 ZINC001164891545 721478407 /nfs/dbraw/zinc/47/84/07/721478407.db2.gz CTAZYWROCIAGNY-QKNQBKEWSA-N 2 2 445.583 1.883 20 0 IDADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001165014077 721765819 /nfs/dbraw/zinc/76/58/19/721765819.db2.gz CJXYHTNOFAJJGE-UHFFFAOYSA-N 2 2 434.548 1.600 20 0 IDADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cccc(N5CCOCC5)[nH+]4)CCO3)C2)c1 ZINC001164914538 721790135 /nfs/dbraw/zinc/79/01/35/721790135.db2.gz DWJJHGIHBLPSMD-HSZRJFAPSA-N 2 2 425.533 1.421 20 0 IDADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cccc(N5CCOCC5)[nH+]4)CCO3)C2)c1 ZINC001164914538 721790137 /nfs/dbraw/zinc/79/01/37/721790137.db2.gz DWJJHGIHBLPSMD-HSZRJFAPSA-N 2 2 425.533 1.421 20 0 IDADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCC[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC001165038470 721891375 /nfs/dbraw/zinc/89/13/75/721891375.db2.gz IETWPHIJQHNRHC-OGWOLHLISA-N 2 2 429.521 1.451 20 0 IDADLP Cn1ccc(CN2CCOCC23CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CC3)n1 ZINC001164935222 721906630 /nfs/dbraw/zinc/90/66/30/721906630.db2.gz CWDAILMKGXVONL-UHFFFAOYSA-N 2 2 425.581 1.438 20 0 IDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164948987 721968900 /nfs/dbraw/zinc/96/89/00/721968900.db2.gz WDBJTIIAXWFXQY-UHFFFAOYSA-N 2 2 426.952 1.747 20 0 IDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164948987 721968903 /nfs/dbraw/zinc/96/89/03/721968903.db2.gz WDBJTIIAXWFXQY-UHFFFAOYSA-N 2 2 426.952 1.747 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cscn4)[C@H]4OCCC[C@H]43)[nH+]2)CC1 ZINC001164950307 722000836 /nfs/dbraw/zinc/00/08/36/722000836.db2.gz HEXSWAMGEKQRIB-XAUMDUMWSA-N 2 2 428.562 1.456 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(CC(C(=O)NCc5ccncc5)=NO4)C3)[nH+]2)CC1 ZINC001164994936 722218496 /nfs/dbraw/zinc/21/84/96/722218496.db2.gz FAQLQLZQGCWMNG-XMMPIXPASA-N 2 2 449.559 1.660 20 0 IDADLP CN1CC[NH+](Cc2cc3nc(N4CC[C@@H]5[NH2+]CC[C@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164410460 718875600 /nfs/dbraw/zinc/87/56/00/718875600.db2.gz BQEFAMZHGHAWHH-PKOBYXMFSA-N 2 2 443.621 1.216 20 0 IDADLP CN1CC[NH+](Cc2cc3nc(N4CCC[C@H]5[NH2+]C[C@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164450356 718999257 /nfs/dbraw/zinc/99/92/57/718999257.db2.gz VDJODPNMNWOSOJ-IEBWSBKVSA-N 2 2 443.621 1.216 20 0 IDADLP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164620196 719009295 /nfs/dbraw/zinc/00/92/95/719009295.db2.gz YASWESULCFCGDL-CYFREDJKSA-N 3 2 427.593 1.983 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H](C)[N@H+](C)C[C@H]2C)C[NH2+]1 ZINC001164633601 719198508 /nfs/dbraw/zinc/19/85/08/719198508.db2.gz HUBIROAAJBYWLY-MVWRLGRASA-N 2 2 429.521 1.450 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H](C)[N@@H+](C)C[C@H]2C)C[NH2+]1 ZINC001164633601 719198515 /nfs/dbraw/zinc/19/85/15/719198515.db2.gz HUBIROAAJBYWLY-MVWRLGRASA-N 2 2 429.521 1.450 20 0 IDADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cncc(N4CC[NH2+]CC4)n2)CC3)cc1 ZINC001164673986 719511393 /nfs/dbraw/zinc/51/13/93/719511393.db2.gz WYYSJERWKDWYTL-UHFFFAOYSA-N 2 2 426.540 1.897 20 0 IDADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2cncc(N4CC[NH2+]CC4)n2)CC3)cc1 ZINC001164673986 719511399 /nfs/dbraw/zinc/51/13/99/719511399.db2.gz WYYSJERWKDWYTL-UHFFFAOYSA-N 2 2 426.540 1.897 20 0 IDADLP C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164683467 719691421 /nfs/dbraw/zinc/69/14/21/719691421.db2.gz FXMMMVGMXMFYNM-GOSISDBHSA-N 2 2 439.564 1.358 20 0 IDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164700528 719864072 /nfs/dbraw/zinc/86/40/72/719864072.db2.gz DUPIRWAFLMMIRO-CVDCTZTESA-N 2 2 432.565 1.789 20 0 IDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001164699940 719875136 /nfs/dbraw/zinc/87/51/36/719875136.db2.gz DAJPKLLJTYEQNG-PGRDOPGGSA-N 2 2 433.553 1.088 20 0 IDADLP Cn1nnc2c1CCN(c1nc(N3CCCCC3)cc[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715214 720189022 /nfs/dbraw/zinc/18/90/22/720189022.db2.gz JVURYZZDDGTALQ-IBGZPJMESA-N 2 2 426.569 1.812 20 0 IDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C5C[NH2+]C5)ncn4)CC3)C2=O)cs1 ZINC001164820778 720385992 /nfs/dbraw/zinc/38/59/92/720385992.db2.gz CGHXGAXSXONYTM-UHFFFAOYSA-N 2 2 427.578 1.242 20 0 IDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C5C[NH2+]C5)ncn4)CC3)C2=O)cs1 ZINC001164820778 720385996 /nfs/dbraw/zinc/38/59/96/720385996.db2.gz CGHXGAXSXONYTM-UHFFFAOYSA-N 2 2 427.578 1.242 20 0 IDADLP CCN(C)c1cc(C)[nH+]c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828053 720427532 /nfs/dbraw/zinc/42/75/32/720427532.db2.gz VWLVNYNTBOFOEW-SFHVURJKSA-N 2 2 429.569 1.427 20 0 IDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001164830684 720464826 /nfs/dbraw/zinc/46/48/26/720464826.db2.gz KTURVQSDSHPJDY-LJQANCHMSA-N 2 2 442.564 1.104 20 0 IDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164831480 720481046 /nfs/dbraw/zinc/48/10/46/720481046.db2.gz GOSPIESYIXULCX-OAQYLSRUSA-N 2 2 440.592 1.864 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@H](C(=O)NCc5ccco5)[C@H]4C3)[nH+]2)CC1 ZINC001164767188 721255596 /nfs/dbraw/zinc/25/55/96/721255596.db2.gz WCPOHAUGYZKDCN-YZGWKJHDSA-N 2 2 425.533 1.442 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(S(=O)(=O)c5ccccc5)C[C@H]4C3)[nH+]2)CC1 ZINC001164882154 721308654 /nfs/dbraw/zinc/30/86/54/721308654.db2.gz ZWHWXCUEFXSEPH-RTBURBONSA-N 2 2 427.574 1.590 20 0 IDADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)C3)O2)CC1 ZINC001164890275 721427848 /nfs/dbraw/zinc/42/78/48/721427848.db2.gz CXNNJFRTUKQOQS-ZJSXRUAMSA-N 3 2 428.625 1.775 20 0 IDADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2)CC1 ZINC001164795324 721521426 /nfs/dbraw/zinc/52/14/26/721521426.db2.gz MNEQFDUVBLJXMZ-UHFFFAOYSA-N 3 2 425.581 1.519 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCC[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC001165038461 721891522 /nfs/dbraw/zinc/89/15/22/721891522.db2.gz IETWPHIJQHNRHC-ALKREAHSSA-N 2 2 429.521 1.451 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@@]4(CCCN(C(=O)c5ccco5)C4)C3)[nH+]2)CC1 ZINC001165000794 722249525 /nfs/dbraw/zinc/24/95/25/722249525.db2.gz LLHXFGWVVGBQHP-QHCPKHFHSA-N 2 2 425.533 1.938 20 0 IDADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164653778 719327173 /nfs/dbraw/zinc/32/71/73/719327173.db2.gz IITXRYIZQRGTDW-UHFFFAOYSA-N 2 2 425.942 1.931 20 0 IDADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC[NH+](CC(C)C)CC2)C[NH2+]1 ZINC001164654362 719333236 /nfs/dbraw/zinc/33/32/36/719333236.db2.gz OFYVMBFUTTZDNN-XLIONFOSSA-N 2 2 443.548 1.699 20 0 IDADLP COC(=O)[C@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CC[NH+](CC(C)C)CC2)C[NH2+]1 ZINC001164654358 719333593 /nfs/dbraw/zinc/33/35/93/719333593.db2.gz OFYVMBFUTTZDNN-FXAWDEMLSA-N 2 2 443.548 1.699 20 0 IDADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164717633 720181272 /nfs/dbraw/zinc/18/12/72/720181272.db2.gz KXXBNLCJWZJXFC-GOSISDBHSA-N 2 2 428.537 1.830 20 0 IDADLP Cn1nnc2c1CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717662 720188188 /nfs/dbraw/zinc/18/81/88/720188188.db2.gz LDWLOXUFIDOHIL-HXUWFJFHSA-N 3 2 440.596 1.178 20 0 IDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4CC[NH2+]CC5)CC3)C2=O)cs1 ZINC001164826825 720358025 /nfs/dbraw/zinc/35/80/25/720358025.db2.gz ZPOSFAXCGPWYEQ-UHFFFAOYSA-N 2 2 441.605 1.243 20 0 IDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4CC[NH2+]CC5)CC3)C2=O)cs1 ZINC001164826825 720358029 /nfs/dbraw/zinc/35/80/29/720358029.db2.gz ZPOSFAXCGPWYEQ-UHFFFAOYSA-N 2 2 441.605 1.243 20 0 IDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5c(n4)CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164823266 720360770 /nfs/dbraw/zinc/36/07/70/720360770.db2.gz DBZWHISFHVGXAL-UHFFFAOYSA-N 2 2 426.590 1.805 20 0 IDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5c(n4)CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164823266 720360774 /nfs/dbraw/zinc/36/07/74/720360774.db2.gz DBZWHISFHVGXAL-UHFFFAOYSA-N 2 2 426.590 1.805 20 0 IDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCC(C(=O)OC)CC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164851513 720866133 /nfs/dbraw/zinc/86/61/33/720866133.db2.gz AGYJDYDULVBSJL-RTBURBONSA-N 2 2 433.553 1.040 20 0 IDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCC(C(=O)OC)CC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164851513 720866135 /nfs/dbraw/zinc/86/61/35/720866135.db2.gz AGYJDYDULVBSJL-RTBURBONSA-N 2 2 433.553 1.040 20 0 IDADLP COc1ccc(CN2C(=O)CO[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]32)cc1 ZINC001165018294 721796016 /nfs/dbraw/zinc/79/60/16/721796016.db2.gz HOURRKTXXQUCFP-LEWJYISDSA-N 2 2 437.544 1.458 20 0 IDADLP Cc1nc(CN2CCOC[C@]3(CN(c4ccc(N5CC[NH2+]CC5)c[nH+]4)CCO3)C2)cs1 ZINC001164920469 721830871 /nfs/dbraw/zinc/83/08/71/721830871.db2.gz FDDRAYZOOSFBGE-JOCHJYFZSA-N 2 2 444.605 1.364 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C[C@@H](OCC(=O)N5CCCC5)CO4)C3)[nH+]2)CC1 ZINC001164937597 721918133 /nfs/dbraw/zinc/91/81/33/721918133.db2.gz DTJYOAAAQFLCBZ-XXBNENTESA-N 2 2 429.565 1.210 20 0 IDADLP COC(=O)[C@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC001165042940 721945420 /nfs/dbraw/zinc/94/54/20/721945420.db2.gz ZXNLJXGEBMUXEV-FXAWDEMLSA-N 2 2 443.548 1.699 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@]4(CCCN(C(=O)c5ccco5)C4)C3)[nH+]2)CC1 ZINC001165000792 722249653 /nfs/dbraw/zinc/24/96/53/722249653.db2.gz LLHXFGWVVGBQHP-HSZRJFAPSA-N 2 2 425.533 1.938 20 0 IDADLP O=C(c1cccnc1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164409560 718863125 /nfs/dbraw/zinc/86/31/25/718863125.db2.gz RHJZVLFLBWLYOT-FYYLOGMGSA-N 2 2 435.572 1.854 20 0 IDADLP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164431785 718970070 /nfs/dbraw/zinc/97/00/70/718970070.db2.gz BIPYZYOFXRHTPY-RTBURBONSA-N 3 2 427.471 1.355 20 0 IDADLP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164620204 719009532 /nfs/dbraw/zinc/00/95/32/719009532.db2.gz YASWESULCFCGDL-DVECYGJZSA-N 3 2 427.593 1.983 20 0 IDADLP Cc1oncc1C(=O)N[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C[C@H]2CCCO[C@@H]21 ZINC001164653348 719320015 /nfs/dbraw/zinc/32/00/15/719320015.db2.gz MCADTWVZQWGLNU-JUXOCIIHSA-N 2 2 440.548 1.544 20 0 IDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001164699943 719875268 /nfs/dbraw/zinc/87/52/68/719875268.db2.gz DAJPKLLJTYEQNG-XMSQKQJNSA-N 2 2 433.553 1.088 20 0 IDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001164704291 719879248 /nfs/dbraw/zinc/87/92/48/719879248.db2.gz UXVKKJZISGMDJV-XXBNENTESA-N 2 2 432.565 1.693 20 0 IDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c12 ZINC001164814103 720226481 /nfs/dbraw/zinc/22/64/81/720226481.db2.gz TYMODVTWOWIHAP-UHFFFAOYSA-N 2 2 425.493 1.552 20 0 IDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164814103 720226490 /nfs/dbraw/zinc/22/64/90/720226490.db2.gz TYMODVTWOWIHAP-UHFFFAOYSA-N 2 2 425.493 1.552 20 0 IDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC001164821524 720346941 /nfs/dbraw/zinc/34/69/41/720346941.db2.gz ANZCXHDXNUEPEK-OALUTQOASA-N 2 2 430.622 1.941 20 0 IDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC001164821524 720346948 /nfs/dbraw/zinc/34/69/48/720346948.db2.gz ANZCXHDXNUEPEK-OALUTQOASA-N 2 2 430.622 1.941 20 0 IDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(C)c(C5C[NH2+]C5)n4)CC3)C2=O)cs1 ZINC001164821833 720385292 /nfs/dbraw/zinc/38/52/92/720385292.db2.gz JDDLXAKYWCIPIC-UHFFFAOYSA-N 2 2 441.605 1.550 20 0 IDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(C)c(C5C[NH2+]C5)n4)CC3)C2=O)cs1 ZINC001164821833 720385297 /nfs/dbraw/zinc/38/52/97/720385297.db2.gz JDDLXAKYWCIPIC-UHFFFAOYSA-N 2 2 441.605 1.550 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164743090 720836825 /nfs/dbraw/zinc/83/68/25/720836825.db2.gz INLRTMANVOOWCZ-FDFHNCONSA-N 3 2 436.608 1.804 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164743090 720836828 /nfs/dbraw/zinc/83/68/28/720836828.db2.gz INLRTMANVOOWCZ-FDFHNCONSA-N 3 2 436.608 1.804 20 0 IDADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]1)CC2 ZINC001164749474 720953797 /nfs/dbraw/zinc/95/37/97/720953797.db2.gz GSKZJMTUNFEHNL-UHFFFAOYSA-N 2 2 449.515 1.205 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)C[C@H](NC(=O)c3cnccn3)CCO4)[nH+]2)CC1 ZINC001164869032 721214253 /nfs/dbraw/zinc/21/42/53/721214253.db2.gz AHJDTNIZOLNZSR-JPYJTQIMSA-N 2 2 437.548 1.181 20 0 IDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c12 ZINC001164870271 721266886 /nfs/dbraw/zinc/26/68/86/721266886.db2.gz VBMRYWJLODGSTO-UHFFFAOYSA-N 2 2 444.536 1.142 20 0 IDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c12 ZINC001164870271 721266888 /nfs/dbraw/zinc/26/68/88/721266888.db2.gz VBMRYWJLODGSTO-UHFFFAOYSA-N 2 2 444.536 1.142 20 0 IDADLP CCOC(=O)c1c(C)cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)[nH+]c1C ZINC001164874528 721277767 /nfs/dbraw/zinc/27/77/67/721277767.db2.gz UCZIWYPIYQHSOW-UHFFFAOYSA-N 2 2 432.565 1.882 20 0 IDADLP CCOC(=O)c1c(C)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)[nH+]c1C ZINC001164874528 721277774 /nfs/dbraw/zinc/27/77/74/721277774.db2.gz UCZIWYPIYQHSOW-UHFFFAOYSA-N 2 2 432.565 1.882 20 0 IDADLP CC(C)C(=O)N1CCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C[C@]2(CCCC(=O)N2)C1 ZINC001164976762 722088362 /nfs/dbraw/zinc/08/83/62/722088362.db2.gz WOQLWOIYGCYEID-HSZRJFAPSA-N 2 2 428.581 1.177 20 0 IDADLP O=C(c1cccnc1N1CCO[C@H]2C[NH2+]CC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164409561 718863260 /nfs/dbraw/zinc/86/32/60/718863260.db2.gz RHJZVLFLBWLYOT-GGAORHGYSA-N 2 2 435.572 1.854 20 0 IDADLP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164620220 719010050 /nfs/dbraw/zinc/01/00/50/719010050.db2.gz YASWESULCFCGDL-YADARESESA-N 3 2 427.593 1.983 20 0 IDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001164699935 719874994 /nfs/dbraw/zinc/87/49/94/719874994.db2.gz DAJPKLLJTYEQNG-AVRDEDQJSA-N 2 2 433.553 1.088 20 0 IDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001164707172 719876505 /nfs/dbraw/zinc/87/65/05/719876505.db2.gz QWVVNOHWVPBCGN-WZONZLPQSA-N 2 2 432.565 1.787 20 0 IDADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715613 720193070 /nfs/dbraw/zinc/19/30/70/720193070.db2.gz LFGOPJVILCEDOM-YJJPMGAVSA-N 2 2 440.548 1.921 20 0 IDADLP c1ncc(O[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@@H+]3C2)cn1 ZINC001164746803 720756648 /nfs/dbraw/zinc/75/66/48/720756648.db2.gz YOALODCUIAAUSW-QZTJIDSGSA-N 2 2 437.552 1.204 20 0 IDADLP c1ncc(O[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@H+]3C2)cn1 ZINC001164746803 720756660 /nfs/dbraw/zinc/75/66/60/720756660.db2.gz YOALODCUIAAUSW-QZTJIDSGSA-N 2 2 437.552 1.204 20 0 IDADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164767645 721195405 /nfs/dbraw/zinc/19/54/05/721195405.db2.gz KHFPHHQSQNVKFW-WOJBJXKFSA-N 2 2 437.596 1.764 20 0 IDADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164767645 721195409 /nfs/dbraw/zinc/19/54/09/721195409.db2.gz KHFPHHQSQNVKFW-WOJBJXKFSA-N 2 2 437.596 1.764 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](CNC(=O)c5ccnnc5)CC[C@H]43)[nH+]2)CC1 ZINC001164875673 721322642 /nfs/dbraw/zinc/32/26/42/721322642.db2.gz GQAGLXMFEGLUKN-SFGWALBWSA-N 2 2 437.548 1.037 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@H]4CNC(=O)c3ccnnc3)[nH+]2)CC1 ZINC001164875672 721322828 /nfs/dbraw/zinc/32/28/28/721322828.db2.gz GQAGLXMFEGLUKN-LRXVAGHRSA-N 2 2 437.548 1.037 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)[nH+]2)CC1 ZINC001165018095 721776401 /nfs/dbraw/zinc/77/64/01/721776401.db2.gz IKUUBMCNBRSASK-XXBNENTESA-N 2 2 429.565 1.068 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)[nH+]2)CC1 ZINC001165018094 721776645 /nfs/dbraw/zinc/77/66/45/721776645.db2.gz IKUUBMCNBRSASK-WMZHIEFXSA-N 2 2 429.565 1.068 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCCCn3cccn3)[nH+]2)CC1 ZINC001165020113 721781439 /nfs/dbraw/zinc/78/14/39/721781439.db2.gz LRGGFUWRMBLVAI-QTEQDKRBSA-N 2 2 426.565 1.873 20 0 IDADLP COc1cc(OC)nc(CN2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)n1 ZINC001165030313 721851287 /nfs/dbraw/zinc/85/12/87/721851287.db2.gz UEKKJEJGPPJGTG-UHFFFAOYSA-N 2 2 428.537 1.684 20 0 IDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164951410 721978788 /nfs/dbraw/zinc/97/87/88/721978788.db2.gz ZAOIXIVXCAZGEX-UHFFFAOYSA-N 2 2 436.560 1.578 20 0 IDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164951410 721978789 /nfs/dbraw/zinc/97/87/89/721978789.db2.gz ZAOIXIVXCAZGEX-UHFFFAOYSA-N 2 2 436.560 1.578 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@H](NC(=O)c4cscn4)[C@@H]4OCCC[C@@H]43)[nH+]2)CC1 ZINC001164950304 722000748 /nfs/dbraw/zinc/00/07/48/722000748.db2.gz HEXSWAMGEKQRIB-KNBMTAEXSA-N 2 2 428.562 1.456 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCC4(C[C@H](C(=O)N5CCOCC5)CO4)CC3)[nH+]2)CC1 ZINC001164957331 722045420 /nfs/dbraw/zinc/04/54/20/722045420.db2.gz BFROBVKIJBOLNP-IBGZPJMESA-N 2 2 429.565 1.068 20 0 IDADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(N4CC[NH2+]CC4)nn2)CC3)cc1 ZINC001164674481 719498745 /nfs/dbraw/zinc/49/87/45/719498745.db2.gz YCXSTOJHASKRNY-UHFFFAOYSA-N 2 2 426.540 1.897 20 0 IDADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(N4CC[NH2+]CC4)nn2)CC3)cc1 ZINC001164674481 719498753 /nfs/dbraw/zinc/49/87/53/719498753.db2.gz YCXSTOJHASKRNY-UHFFFAOYSA-N 2 2 426.540 1.897 20 0 IDADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CC2 ZINC001164689515 719738988 /nfs/dbraw/zinc/73/89/88/719738988.db2.gz GANKPBQKDFAQDI-UHFFFAOYSA-N 2 2 428.585 1.253 20 0 IDADLP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CC2 ZINC001164689515 719739002 /nfs/dbraw/zinc/73/90/02/719739002.db2.gz GANKPBQKDFAQDI-UHFFFAOYSA-N 2 2 428.585 1.253 20 0 IDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c12 ZINC001164811471 720215988 /nfs/dbraw/zinc/21/59/88/720215988.db2.gz IHHQEQZWFDVYID-UHFFFAOYSA-N 2 2 439.520 1.942 20 0 IDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164811471 720215999 /nfs/dbraw/zinc/21/59/99/720215999.db2.gz IHHQEQZWFDVYID-UHFFFAOYSA-N 2 2 439.520 1.942 20 0 IDADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4cc(OC)c(OC)cc4c[nH+]3)C2)C1 ZINC001164721267 720291968 /nfs/dbraw/zinc/29/19/68/720291968.db2.gz ISDCSHASGZFLSN-QHCPKHFHSA-N 2 2 428.533 1.917 20 0 IDADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc4cc(OC)c(OC)cc4c[nH+]3)C2)C1 ZINC001164721267 720291974 /nfs/dbraw/zinc/29/19/74/720291974.db2.gz ISDCSHASGZFLSN-QHCPKHFHSA-N 2 2 428.533 1.917 20 0 IDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC001164821517 720347210 /nfs/dbraw/zinc/34/72/10/720347210.db2.gz ANZCXHDXNUEPEK-MOPGFXCFSA-N 2 2 430.622 1.941 20 0 IDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC001164821517 720347216 /nfs/dbraw/zinc/34/72/16/720347216.db2.gz ANZCXHDXNUEPEK-MOPGFXCFSA-N 2 2 430.622 1.941 20 0 IDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(N3CCCC3)cc[nH+]1)C2 ZINC001164828807 720462103 /nfs/dbraw/zinc/46/21/03/720462103.db2.gz AYQUJAZAMBEZJA-LJQANCHMSA-N 2 2 426.565 1.868 20 0 IDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164829320 720468382 /nfs/dbraw/zinc/46/83/82/720468382.db2.gz FPSFLSHWKPMRAL-INIZCTEOSA-N 2 2 446.983 1.567 20 0 IDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164831179 720473321 /nfs/dbraw/zinc/47/33/21/720473321.db2.gz NFQZVSGNYCSNCD-HXUWFJFHSA-N 2 2 440.592 1.862 20 0 IDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164831179 720473323 /nfs/dbraw/zinc/47/33/23/720473323.db2.gz NFQZVSGNYCSNCD-HXUWFJFHSA-N 2 2 440.592 1.862 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@]4(C(=O)NCCc4ccccc4)C3)[nH+]2)CC1 ZINC001164854644 720816451 /nfs/dbraw/zinc/81/64/51/720816451.db2.gz UWYVIAFAQZGARV-SQJMNOBHSA-N 2 2 435.572 1.645 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@]4(C(=O)NCCc4ccccc4)C3)[nH+]2)CC1 ZINC001164854641 720816742 /nfs/dbraw/zinc/81/67/42/720816742.db2.gz UWYVIAFAQZGARV-BWKNWUBXSA-N 2 2 435.572 1.645 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164743087 720837106 /nfs/dbraw/zinc/83/71/06/720837106.db2.gz INLRTMANVOOWCZ-BHDDXSALSA-N 3 2 436.608 1.804 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164743087 720837107 /nfs/dbraw/zinc/83/71/07/720837107.db2.gz INLRTMANVOOWCZ-BHDDXSALSA-N 3 2 436.608 1.804 20 0 IDADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)cc[nH+]3)CC[C@H]2C1 ZINC001164860212 720852567 /nfs/dbraw/zinc/85/25/67/720852567.db2.gz VWQORHUJJBFPNM-UWJYYQICSA-N 2 2 425.533 1.536 20 0 IDADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)cc[nH+]3)CC[C@H]2C1 ZINC001164860212 720852568 /nfs/dbraw/zinc/85/25/68/720852568.db2.gz VWQORHUJJBFPNM-UWJYYQICSA-N 2 2 425.533 1.536 20 0 IDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC[C@H]2C1 ZINC001164860478 720874395 /nfs/dbraw/zinc/87/43/95/720874395.db2.gz ONULXUAKSYHWJJ-RBUKOAKNSA-N 2 2 431.585 1.246 20 0 IDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC[C@H]2C1 ZINC001164860478 720874396 /nfs/dbraw/zinc/87/43/96/720874396.db2.gz ONULXUAKSYHWJJ-RBUKOAKNSA-N 2 2 431.585 1.246 20 0 IDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC[C@H]2C1 ZINC001164860478 720874399 /nfs/dbraw/zinc/87/43/99/720874399.db2.gz ONULXUAKSYHWJJ-RBUKOAKNSA-N 2 2 431.585 1.246 20 0 IDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC[C@H]2C1 ZINC001164860478 720874404 /nfs/dbraw/zinc/87/44/04/720874404.db2.gz ONULXUAKSYHWJJ-RBUKOAKNSA-N 2 2 431.585 1.246 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4CO[C@@H](CNC(=O)c5ccno5)[C@H]4C3)[nH+]2)CC1 ZINC001164862391 720910362 /nfs/dbraw/zinc/91/03/62/720910362.db2.gz VUKCACNXVSDVCL-AOIWGVFYSA-N 2 2 426.521 1.093 20 0 IDADLP COC(=O)C[C@H](c1cc[nH+]c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1)C1CC1 ZINC001164751680 720961836 /nfs/dbraw/zinc/96/18/36/720961836.db2.gz RVXZJZZKOJCQMI-KRWDZBQOSA-N 2 2 441.532 1.980 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[C@@H](NC(=O)c3cnccn3)CCO4)[nH+]2)CC1 ZINC001164869031 721214154 /nfs/dbraw/zinc/21/41/54/721214154.db2.gz AHJDTNIZOLNZSR-FDDCHVKYSA-N 2 2 437.548 1.181 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@H](C(=O)NCc5ccco5)[C@@H]4C3)[nH+]2)CC1 ZINC001164767183 721255335 /nfs/dbraw/zinc/25/53/35/721255335.db2.gz WCPOHAUGYZKDCN-MISYRCLQSA-N 2 2 425.533 1.442 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4OCC[C@H]4[C@H](C(=O)NCc4cccnc4)C3)[nH+]2)CC1 ZINC001164877355 721304009 /nfs/dbraw/zinc/30/40/09/721304009.db2.gz INPDPPPNNBLZMG-HBMCJLEFSA-N 2 2 436.560 1.386 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H](NC(=O)c4cccnc4)[C@@H]4OCCC[C@H]4C3)[nH+]2)CC1 ZINC001164780370 721380717 /nfs/dbraw/zinc/38/07/17/721380717.db2.gz GNCJRYKIVDOVKU-MIZPHKNDSA-N 2 2 436.560 1.642 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H](NC(=O)c4cccnc4)[C@H]4OCCC[C@H]4C3)[nH+]2)CC1 ZINC001164780371 721380795 /nfs/dbraw/zinc/38/07/95/721380795.db2.gz GNCJRYKIVDOVKU-MZKRTTBSSA-N 2 2 436.560 1.642 20 0 IDADLP Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CC[NH2+]C2 ZINC001164911399 721772978 /nfs/dbraw/zinc/77/29/78/721772978.db2.gz GOXYUUZJHOCBJX-NRFANRHFSA-N 2 2 430.940 1.279 20 0 IDADLP Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CC[NH2+]C2 ZINC001164911399 721772981 /nfs/dbraw/zinc/77/29/81/721772981.db2.gz GOXYUUZJHOCBJX-NRFANRHFSA-N 2 2 430.940 1.279 20 0 IDADLP Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(N5CC[NH2+]CC5)c[nH+]4)CCO3)C2)cs1 ZINC001164920470 721830849 /nfs/dbraw/zinc/83/08/49/721830849.db2.gz FDDRAYZOOSFBGE-QFIPXVFZSA-N 2 2 444.605 1.364 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N(C)CC2CC[NH+](C)CC2)C[NH2+]1 ZINC001165041380 721934003 /nfs/dbraw/zinc/93/40/03/721934003.db2.gz SZKRCTSTNLDNGC-PXNSSMCTSA-N 2 2 443.548 1.699 20 0 IDADLP COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N(C)CC2CC[NH+](C)CC2)C[NH2+]1 ZINC001165041382 721934023 /nfs/dbraw/zinc/93/40/23/721934023.db2.gz SZKRCTSTNLDNGC-YLJYHZDGSA-N 2 2 443.548 1.699 20 0 IDADLP C(C[NH+]1CCCC1)[C@@H]1CCCCN1c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001165046154 721966366 /nfs/dbraw/zinc/96/63/66/721966366.db2.gz HPMRJRDTYSZDNZ-IBGZPJMESA-N 2 2 431.585 1.390 20 0 IDADLP O=C1NCCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)C12C[NH2+]C2 ZINC001164412564 718878993 /nfs/dbraw/zinc/87/89/93/718878993.db2.gz WWQJWJUUINLXJG-UHFFFAOYSA-N 2 2 426.590 1.834 20 0 IDADLP CN1CC[NH+](Cc2cc3nc(N4CCC[C@@H]5[NH2+]C[C@@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164450355 718999350 /nfs/dbraw/zinc/99/93/50/718999350.db2.gz VDJODPNMNWOSOJ-HKUYNNGSSA-N 2 2 443.621 1.216 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H](C)[N@H+](C)C[C@H]2C)C[NH2+]1 ZINC001164633606 719198334 /nfs/dbraw/zinc/19/83/34/719198334.db2.gz HUBIROAAJBYWLY-ZLHSVIROSA-N 2 2 429.521 1.450 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H](C)[N@@H+](C)C[C@H]2C)C[NH2+]1 ZINC001164633606 719198341 /nfs/dbraw/zinc/19/83/41/719198341.db2.gz HUBIROAAJBYWLY-ZLHSVIROSA-N 2 2 429.521 1.450 20 0 IDADLP COCCN1CC[N@H+](C)C2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)C1=O ZINC001164644310 719283737 /nfs/dbraw/zinc/28/37/37/719283737.db2.gz HUAQIJDURWIFQZ-UHFFFAOYSA-N 3 2 431.581 1.314 20 0 IDADLP COCCN1CC[N@@H+](C)C2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)C1=O ZINC001164644310 719283742 /nfs/dbraw/zinc/28/37/42/719283742.db2.gz HUAQIJDURWIFQZ-UHFFFAOYSA-N 3 2 431.581 1.314 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CC[NH+](CC(C)C)CC2)C[NH2+]1 ZINC001164654360 719333575 /nfs/dbraw/zinc/33/35/75/719333575.db2.gz OFYVMBFUTTZDNN-PXNSSMCTSA-N 2 2 443.548 1.699 20 0 IDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164703342 719848226 /nfs/dbraw/zinc/84/82/26/719848226.db2.gz QSHCEXFIAOIDFO-KKSFZXQISA-N 2 2 437.972 1.830 20 0 IDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164700529 719863778 /nfs/dbraw/zinc/86/37/78/719863778.db2.gz DUPIRWAFLMMIRO-WMZHIEFXSA-N 2 2 432.565 1.789 20 0 IDADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1 ZINC001164718700 720260483 /nfs/dbraw/zinc/26/04/83/720260483.db2.gz HEKIHFBCTDJUTK-JOCHJYFZSA-N 2 2 436.000 1.996 20 0 IDADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1 ZINC001164718700 720260491 /nfs/dbraw/zinc/26/04/91/720260491.db2.gz HEKIHFBCTDJUTK-JOCHJYFZSA-N 2 2 436.000 1.996 20 0 IDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)CC1 ZINC001164831325 720327009 /nfs/dbraw/zinc/32/70/09/720327009.db2.gz QVVDNNNDTZAJAV-RTWAWAEBSA-N 3 2 426.609 1.745 20 0 IDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC001164821528 720347291 /nfs/dbraw/zinc/34/72/91/720347291.db2.gz ANZCXHDXNUEPEK-RTBURBONSA-N 2 2 430.622 1.941 20 0 IDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC001164821528 720347299 /nfs/dbraw/zinc/34/72/99/720347299.db2.gz ANZCXHDXNUEPEK-RTBURBONSA-N 2 2 430.622 1.941 20 0 IDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(C3CC[NH2+]CC3)n1)C2 ZINC001164829293 720463911 /nfs/dbraw/zinc/46/39/11/720463911.db2.gz FIQXHPFVAAXGMG-IBGZPJMESA-N 2 2 441.580 1.130 20 0 IDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164830058 720470202 /nfs/dbraw/zinc/47/02/02/720470202.db2.gz IWCJJSRWXWKYAM-OAQYLSRUSA-N 2 2 440.592 1.864 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4CO[C@H](CNC(=O)c5ccno5)[C@@H]4C3)[nH+]2)CC1 ZINC001164862403 720910331 /nfs/dbraw/zinc/91/03/31/720910331.db2.gz VUKCACNXVSDVCL-ZHALLVOQSA-N 2 2 426.521 1.093 20 0 IDADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164862040 721036397 /nfs/dbraw/zinc/03/63/97/721036397.db2.gz KOEBYOCVDCKPMP-XMMPIXPASA-N 2 2 449.559 1.073 20 0 IDADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164767642 721195957 /nfs/dbraw/zinc/19/59/57/721195957.db2.gz KHFPHHQSQNVKFW-VQTJNVASSA-N 2 2 437.596 1.764 20 0 IDADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164767642 721195962 /nfs/dbraw/zinc/19/59/62/721195962.db2.gz KHFPHHQSQNVKFW-VQTJNVASSA-N 2 2 437.596 1.764 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[C@H](NC(=O)c3cnccn3)CCO4)[nH+]2)CC1 ZINC001164869034 721214604 /nfs/dbraw/zinc/21/46/04/721214604.db2.gz AHJDTNIZOLNZSR-WZONZLPQSA-N 2 2 437.548 1.181 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)C[C@@H](NC(=O)c3cnccn3)CCO4)[nH+]2)CC1 ZINC001164869033 721214677 /nfs/dbraw/zinc/21/46/77/721214677.db2.gz AHJDTNIZOLNZSR-MBSDFSHPSA-N 2 2 437.548 1.181 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](CNC(=O)c5ccnnc5)CC[C@@H]43)[nH+]2)CC1 ZINC001164875674 721322669 /nfs/dbraw/zinc/32/26/69/721322669.db2.gz GQAGLXMFEGLUKN-ZWCUEREDSA-N 2 2 437.548 1.037 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)c4cccnc4)C3)[nH+]2)CC1 ZINC001164780372 721380857 /nfs/dbraw/zinc/38/08/57/721380857.db2.gz GNCJRYKIVDOVKU-SXWKCWPCSA-N 2 2 436.560 1.642 20 0 IDADLP CCc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(N2CCOCC2)[nH+]1 ZINC001164886647 721423944 /nfs/dbraw/zinc/42/39/44/721423944.db2.gz KJBLNRFNAUQVGP-QPPBQGQZSA-N 2 2 444.624 1.641 20 0 IDADLP CCc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(N2CCOCC2)[nH+]1 ZINC001164886647 721423947 /nfs/dbraw/zinc/42/39/47/721423947.db2.gz KJBLNRFNAUQVGP-QPPBQGQZSA-N 2 2 444.624 1.641 20 0 IDADLP CCc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(N2CCOCC2)[nH+]1 ZINC001164886654 721424014 /nfs/dbraw/zinc/42/40/14/721424014.db2.gz KJBLNRFNAUQVGP-XUZZJYLKSA-N 2 2 444.624 1.641 20 0 IDADLP CCc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(N2CCOCC2)[nH+]1 ZINC001164886654 721424015 /nfs/dbraw/zinc/42/40/15/721424015.db2.gz KJBLNRFNAUQVGP-XUZZJYLKSA-N 2 2 444.624 1.641 20 0 IDADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)C3)O2)CC1 ZINC001164890274 721427447 /nfs/dbraw/zinc/42/74/47/721427447.db2.gz CXNNJFRTUKQOQS-XUZZJYLKSA-N 3 2 428.625 1.775 20 0 IDADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cccc(N5CCOCC5)[nH+]4)CCO3)C2)c1 ZINC001164914540 721790672 /nfs/dbraw/zinc/79/06/72/721790672.db2.gz DWJJHGIHBLPSMD-QHCPKHFHSA-N 2 2 425.533 1.421 20 0 IDADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cccc(N5CCOCC5)[nH+]4)CCO3)C2)c1 ZINC001164914540 721790673 /nfs/dbraw/zinc/79/06/73/721790673.db2.gz DWJJHGIHBLPSMD-QHCPKHFHSA-N 2 2 425.533 1.421 20 0 IDADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(OC5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164913901 721795503 /nfs/dbraw/zinc/79/55/03/721795503.db2.gz IQEIRHGOKCWGTK-QHCPKHFHSA-N 2 2 440.548 1.110 20 0 IDADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(OC5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164913901 721795508 /nfs/dbraw/zinc/79/55/08/721795508.db2.gz IQEIRHGOKCWGTK-QHCPKHFHSA-N 2 2 440.548 1.110 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC001165042941 721945543 /nfs/dbraw/zinc/94/55/43/721945543.db2.gz ZXNLJXGEBMUXEV-PXNSSMCTSA-N 2 2 443.548 1.699 20 0 IDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164944521 721970916 /nfs/dbraw/zinc/97/09/16/721970916.db2.gz JTTKUUQUAUYQME-UHFFFAOYSA-N 2 2 426.952 1.747 20 0 IDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164944521 721970918 /nfs/dbraw/zinc/97/09/18/721970918.db2.gz JTTKUUQUAUYQME-UHFFFAOYSA-N 2 2 426.952 1.747 20 0 IDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c12 ZINC001164996573 722231214 /nfs/dbraw/zinc/23/12/14/722231214.db2.gz JUAQFAKIBNITNI-UHFFFAOYSA-N 2 2 436.520 1.282 20 0 IDADLP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164431784 718969577 /nfs/dbraw/zinc/96/95/77/718969577.db2.gz BIPYZYOFXRHTPY-RBUKOAKNSA-N 3 2 427.471 1.355 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H](C)[N@H+](C)C[C@@H]2C)C[NH2+]1 ZINC001164633604 719199465 /nfs/dbraw/zinc/19/94/65/719199465.db2.gz HUBIROAAJBYWLY-PWDMQXDWSA-N 2 2 429.521 1.450 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H](C)[N@@H+](C)C[C@@H]2C)C[NH2+]1 ZINC001164633604 719199470 /nfs/dbraw/zinc/19/94/70/719199470.db2.gz HUBIROAAJBYWLY-PWDMQXDWSA-N 2 2 429.521 1.450 20 0 IDADLP Cc1oncc1C(=O)N[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C[C@@H]2CCCO[C@H]12 ZINC001164653352 719319926 /nfs/dbraw/zinc/31/99/26/719319926.db2.gz MCADTWVZQWGLNU-KPLVRAHFSA-N 2 2 440.548 1.544 20 0 IDADLP COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC[NH+](CC(C)C)CC2)C[NH2+]1 ZINC001164654363 719333474 /nfs/dbraw/zinc/33/34/74/719333474.db2.gz OFYVMBFUTTZDNN-YLJYHZDGSA-N 2 2 443.548 1.699 20 0 IDADLP Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164694703 719835167 /nfs/dbraw/zinc/83/51/67/719835167.db2.gz IOTABAKDYOLIGX-LJQANCHMSA-N 2 2 434.548 1.678 20 0 IDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001164699938 719875044 /nfs/dbraw/zinc/87/50/44/719875044.db2.gz DAJPKLLJTYEQNG-GCJKJVERSA-N 2 2 433.553 1.088 20 0 IDADLP Cn1nnc2c1CCN(c1nc(N3CCCCC3)cc[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715218 720189490 /nfs/dbraw/zinc/18/94/90/720189490.db2.gz JVURYZZDDGTALQ-LJQANCHMSA-N 2 2 426.569 1.812 20 0 IDADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1 ZINC001164718701 720260973 /nfs/dbraw/zinc/26/09/73/720260973.db2.gz HEKIHFBCTDJUTK-QFIPXVFZSA-N 2 2 436.000 1.996 20 0 IDADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1 ZINC001164718701 720260978 /nfs/dbraw/zinc/26/09/78/720260978.db2.gz HEKIHFBCTDJUTK-QFIPXVFZSA-N 2 2 436.000 1.996 20 0 IDADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)C1 ZINC001164725926 720303790 /nfs/dbraw/zinc/30/37/90/720303790.db2.gz XFFNAMLLGZSMEU-HSZRJFAPSA-N 3 2 431.581 1.219 20 0 IDADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)C1 ZINC001164725926 720303800 /nfs/dbraw/zinc/30/38/00/720303800.db2.gz XFFNAMLLGZSMEU-HSZRJFAPSA-N 3 2 431.581 1.219 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@@]4(C(=O)NCCc4ccccc4)C3)[nH+]2)CC1 ZINC001164854642 720816585 /nfs/dbraw/zinc/81/65/85/720816585.db2.gz UWYVIAFAQZGARV-OFVILXPXSA-N 2 2 435.572 1.645 20 0 IDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC[C@@H]2C1 ZINC001164860457 720874486 /nfs/dbraw/zinc/87/44/86/720874486.db2.gz ONULXUAKSYHWJJ-MOPGFXCFSA-N 2 2 431.585 1.246 20 0 IDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC[C@@H]2C1 ZINC001164860457 720874492 /nfs/dbraw/zinc/87/44/92/720874492.db2.gz ONULXUAKSYHWJJ-MOPGFXCFSA-N 2 2 431.585 1.246 20 0 IDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC[C@@H]2C1 ZINC001164860457 720874494 /nfs/dbraw/zinc/87/44/94/720874494.db2.gz ONULXUAKSYHWJJ-MOPGFXCFSA-N 2 2 431.585 1.246 20 0 IDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC[C@@H]2C1 ZINC001164860457 720874496 /nfs/dbraw/zinc/87/44/96/720874496.db2.gz ONULXUAKSYHWJJ-MOPGFXCFSA-N 2 2 431.585 1.246 20 0 IDADLP CCOC(=O)c1cc2cc[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c2[nH]1 ZINC001164750873 720953058 /nfs/dbraw/zinc/95/30/58/720953058.db2.gz OHZJGHHUZLMZMK-UHFFFAOYSA-N 2 2 426.477 1.582 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](CNC(=O)c5ccnnc5)CC[C@@H]43)[nH+]2)CC1 ZINC001164875671 721322866 /nfs/dbraw/zinc/32/28/66/721322866.db2.gz GQAGLXMFEGLUKN-LQBOVUBWSA-N 2 2 437.548 1.037 20 0 IDADLP CCc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(N2CCOCC2)[nH+]1 ZINC001164886651 721423336 /nfs/dbraw/zinc/42/33/36/721423336.db2.gz KJBLNRFNAUQVGP-URXFXBBRSA-N 2 2 444.624 1.641 20 0 IDADLP CCc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(N2CCOCC2)[nH+]1 ZINC001164886651 721423341 /nfs/dbraw/zinc/42/33/41/721423341.db2.gz KJBLNRFNAUQVGP-URXFXBBRSA-N 2 2 444.624 1.641 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)CN(C(=O)c3cnccn3)CCO4)[nH+]2)CC1 ZINC001165013687 721759676 /nfs/dbraw/zinc/75/96/76/721759676.db2.gz QQXFJJUOJOZBCD-UHFFFAOYSA-N 2 2 437.548 1.135 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(C3)COCCN(c3ncc(F)cn3)C4)[nH+]2)CC1 ZINC001164924251 721846286 /nfs/dbraw/zinc/84/62/86/721846286.db2.gz XUWSYAMXGXUKMY-HSZRJFAPSA-N 2 2 441.555 1.886 20 0 IDADLP CN1CC[NH+](Cc2cc3nc(N4CC[C@@H]5[NH2+]CC[C@@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164410457 718875857 /nfs/dbraw/zinc/87/58/57/718875857.db2.gz BQEFAMZHGHAWHH-HKUYNNGSSA-N 2 2 443.621 1.216 20 0 IDADLP CN1CC[NH+](Cc2cc3nc(N4CCC[C@H]5[NH2+]C[C@@H]54)nc(N4CCOCC4)c3s2)CC1 ZINC001164450357 718999832 /nfs/dbraw/zinc/99/98/32/718999832.db2.gz VDJODPNMNWOSOJ-MJGOQNOKSA-N 2 2 443.621 1.216 20 0 IDADLP C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164683476 719691307 /nfs/dbraw/zinc/69/13/07/719691307.db2.gz FXMMMVGMXMFYNM-SFHVURJKSA-N 2 2 439.564 1.358 20 0 IDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001164704290 719879020 /nfs/dbraw/zinc/87/90/20/719879020.db2.gz UXVKKJZISGMDJV-WMZHIEFXSA-N 2 2 432.565 1.693 20 0 IDADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715612 720191867 /nfs/dbraw/zinc/19/18/67/720191867.db2.gz LFGOPJVILCEDOM-ROUKRRSUSA-N 2 2 440.548 1.921 20 0 IDADLP Cn1nnc2c1CCN(c1cc(N3CCSCC3)[nH+]cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715132 720201703 /nfs/dbraw/zinc/20/17/03/720201703.db2.gz JCCSUTCGAQREGG-SFHVURJKSA-N 2 2 444.609 1.375 20 0 IDADLP Cn1nnc2c1CCN(c1cc(N3CCSCC3)nc[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715132 720201718 /nfs/dbraw/zinc/20/17/18/720201718.db2.gz JCCSUTCGAQREGG-SFHVURJKSA-N 2 2 444.609 1.375 20 0 IDADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)C1 ZINC001164725933 720302911 /nfs/dbraw/zinc/30/29/11/720302911.db2.gz XFFNAMLLGZSMEU-QHCPKHFHSA-N 3 2 431.581 1.219 20 0 IDADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)C1 ZINC001164725933 720302920 /nfs/dbraw/zinc/30/29/20/720302920.db2.gz XFFNAMLLGZSMEU-QHCPKHFHSA-N 3 2 431.581 1.219 20 0 IDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164831177 720473598 /nfs/dbraw/zinc/47/35/98/720473598.db2.gz NFQZVSGNYCSNCD-FQEVSTJZSA-N 2 2 440.592 1.862 20 0 IDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164831177 720473605 /nfs/dbraw/zinc/47/36/05/720473605.db2.gz NFQZVSGNYCSNCD-FQEVSTJZSA-N 2 2 440.592 1.862 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164743089 720836792 /nfs/dbraw/zinc/83/67/92/720836792.db2.gz INLRTMANVOOWCZ-BHIFYINESA-N 3 2 436.608 1.804 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]2)CC1 ZINC001164743089 720836793 /nfs/dbraw/zinc/83/67/93/720836793.db2.gz INLRTMANVOOWCZ-BHIFYINESA-N 3 2 436.608 1.804 20 0 IDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCC(C(=O)OC)CC4)cc[nH+]3)CC[C@H]2C1 ZINC001164851512 720866426 /nfs/dbraw/zinc/86/64/26/720866426.db2.gz AGYJDYDULVBSJL-RBUKOAKNSA-N 2 2 433.553 1.040 20 0 IDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCC(C(=O)OC)CC4)cc[nH+]3)CC[C@H]2C1 ZINC001164851512 720866428 /nfs/dbraw/zinc/86/64/28/720866428.db2.gz AGYJDYDULVBSJL-RBUKOAKNSA-N 2 2 433.553 1.040 20 0 IDADLP COC(=O)C1CCN(c2cc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)CC1 ZINC001164762012 721170502 /nfs/dbraw/zinc/17/05/02/721170502.db2.gz BUNHPPJNCFLSNR-VQTJNVASSA-N 2 2 439.564 1.558 20 0 IDADLP COC(=O)C1CCN(c2cc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)CC1 ZINC001164762012 721170513 /nfs/dbraw/zinc/17/05/13/721170513.db2.gz BUNHPPJNCFLSNR-VQTJNVASSA-N 2 2 439.564 1.558 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@H](C(=O)NCc5ccco5)[C@@H]4C3)[nH+]2)CC1 ZINC001164767185 721255676 /nfs/dbraw/zinc/25/56/76/721255676.db2.gz WCPOHAUGYZKDCN-RLLQIKCJSA-N 2 2 425.533 1.442 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4OCC[C@H]4[C@@H](C(=O)NCc4cccnc4)C3)[nH+]2)CC1 ZINC001164877351 721303744 /nfs/dbraw/zinc/30/37/44/721303744.db2.gz INPDPPPNNBLZMG-ACRUOGEOSA-N 2 2 436.560 1.386 20 0 IDADLP COCCn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892908 721416488 /nfs/dbraw/zinc/41/64/88/721416488.db2.gz ZDGZLWQEAMGMOT-CVDCTZTESA-N 2 2 428.581 1.843 20 0 IDADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)C3)O2)CC1 ZINC001164890272 721427776 /nfs/dbraw/zinc/42/77/76/721427776.db2.gz CXNNJFRTUKQOQS-QPPBQGQZSA-N 3 2 428.625 1.775 20 0 IDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCC[C@H]([NH+](C)C)C2)C[NH2+]1 ZINC001165038473 721891408 /nfs/dbraw/zinc/89/14/08/721891408.db2.gz IETWPHIJQHNRHC-QOKNQOGYSA-N 2 2 429.521 1.451 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C[C@@H](OCC(=O)N5CCCC5)CO4)C3)[nH+]2)CC1 ZINC001164937594 721918184 /nfs/dbraw/zinc/91/81/84/721918184.db2.gz DTJYOAAAQFLCBZ-AUSIDOKSSA-N 2 2 429.565 1.210 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4c5ccccc5N(S(C)(=O)=O)C[C@@H]4C3)[nH+]2)CC1 ZINC001164971334 722090205 /nfs/dbraw/zinc/09/02/05/722090205.db2.gz BJVZIYCOUJRNLD-PKOBYXMFSA-N 2 2 427.574 1.833 20 0 IDADLP O=C(c1cccnc1N1CCO[C@H]2C[NH2+]CC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164409562 718863285 /nfs/dbraw/zinc/86/32/85/718863285.db2.gz RHJZVLFLBWLYOT-GMAHTHKFSA-N 2 2 435.572 1.854 20 0 IDADLP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164431783 718969838 /nfs/dbraw/zinc/96/98/38/718969838.db2.gz BIPYZYOFXRHTPY-OALUTQOASA-N 3 2 427.471 1.355 20 0 IDADLP COCCN1CC[N@H+](C)C2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)C1=O ZINC001164642342 719279043 /nfs/dbraw/zinc/27/90/43/719279043.db2.gz ZHOXNTRUJRNISI-UHFFFAOYSA-N 2 2 431.581 1.316 20 0 IDADLP COCCN1CC[N@@H+](C)C2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)C1=O ZINC001164642342 719279048 /nfs/dbraw/zinc/27/90/48/719279048.db2.gz ZHOXNTRUJRNISI-UHFFFAOYSA-N 2 2 431.581 1.316 20 0 IDADLP Cc1oncc1C(=O)N[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C[C@H]2CCCO[C@H]21 ZINC001164653357 719320129 /nfs/dbraw/zinc/32/01/29/719320129.db2.gz MCADTWVZQWGLNU-SFGWALBWSA-N 2 2 440.548 1.544 20 0 IDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001164703340 719848101 /nfs/dbraw/zinc/84/81/01/719848101.db2.gz QSHCEXFIAOIDFO-IERDGZPVSA-N 2 2 437.972 1.830 20 0 IDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001164704286 719879324 /nfs/dbraw/zinc/87/93/24/719879324.db2.gz UXVKKJZISGMDJV-AUSIDOKSSA-N 2 2 432.565 1.693 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCC(=O)N5CCCC5)CC[C@@H]43)[nH+]2)CC1 ZINC001164715348 720084502 /nfs/dbraw/zinc/08/45/02/720084502.db2.gz ZLTBARFCGAWLNQ-YYDVJCTNSA-N 2 2 429.565 1.209 20 0 IDADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715607 720191367 /nfs/dbraw/zinc/19/13/67/720191367.db2.gz LFGOPJVILCEDOM-HCZHMGAMSA-N 2 2 440.548 1.921 20 0 IDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1[nH+][nH]c(Cl)c3ncnc1-3)C2 ZINC001164832647 720460771 /nfs/dbraw/zinc/46/07/71/720460771.db2.gz UUNKOZBGKUHSOD-CYBMUJFWSA-N 2 2 432.916 1.192 20 0 IDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001164830680 720465157 /nfs/dbraw/zinc/46/51/57/720465157.db2.gz KTURVQSDSHPJDY-IBGZPJMESA-N 2 2 442.564 1.104 20 0 IDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164829323 720468069 /nfs/dbraw/zinc/46/80/69/720468069.db2.gz FPSFLSHWKPMRAL-MRXNPFEDSA-N 2 2 446.983 1.567 20 0 IDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)cc[nH+]3)CC[C@@H]2C1 ZINC001164860205 720852646 /nfs/dbraw/zinc/85/26/46/720852646.db2.gz VWQORHUJJBFPNM-DYESRHJHSA-N 2 2 425.533 1.536 20 0 IDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)cc[nH+]3)CC[C@@H]2C1 ZINC001164860205 720852648 /nfs/dbraw/zinc/85/26/48/720852648.db2.gz VWQORHUJJBFPNM-DYESRHJHSA-N 2 2 425.533 1.536 20 0 IDADLP COC(=O)C[C@@H](c1cc[nH+]c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1)C1CC1 ZINC001164751687 720961892 /nfs/dbraw/zinc/96/18/92/720961892.db2.gz RVXZJZZKOJCQMI-QGZVFWFLSA-N 2 2 441.532 1.980 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@H](CC(=O)N5CCC(F)CC5)[C@@H]4C3)[nH+]2)CC1 ZINC001164891553 721478312 /nfs/dbraw/zinc/47/83/12/721478312.db2.gz CTAZYWROCIAGNY-ZVDOUQERSA-N 2 2 445.583 1.883 20 0 IDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@H](CC(=O)N5CCC(F)CC5)[C@@H]4C3)[nH+]2)CC1 ZINC001164891548 721478344 /nfs/dbraw/zinc/47/83/44/721478344.db2.gz CTAZYWROCIAGNY-SBHAEUEKSA-N 2 2 445.583 1.883 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCOC[C@@]4(CN(c5ccsc5)C(=O)CO4)C3)[nH+]2)CC1 ZINC001164803592 721594168 /nfs/dbraw/zinc/59/41/68/721594168.db2.gz XDGAMMFFRZMBRS-QFIPXVFZSA-N 2 2 443.573 1.534 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)[nH+]2)CC1 ZINC001165018092 721776459 /nfs/dbraw/zinc/77/64/59/721776459.db2.gz IKUUBMCNBRSASK-AUSIDOKSSA-N 2 2 429.565 1.068 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](OCCCn5cccn5)CC[C@@H]43)[nH+]2)CC1 ZINC001165020111 721781319 /nfs/dbraw/zinc/78/13/19/721781319.db2.gz LRGGFUWRMBLVAI-JTAQYXEDSA-N 2 2 426.565 1.873 20 0 IDADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(OC5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164913899 721795115 /nfs/dbraw/zinc/79/51/15/721795115.db2.gz IQEIRHGOKCWGTK-HSZRJFAPSA-N 2 2 440.548 1.110 20 0 IDADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc(OC5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164913899 721795120 /nfs/dbraw/zinc/79/51/20/721795120.db2.gz IQEIRHGOKCWGTK-HSZRJFAPSA-N 2 2 440.548 1.110 20 0 IDADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C[C@H](OCC(=O)N5CCCC5)CO4)C3)[nH+]2)CC1 ZINC001164937596 721918248 /nfs/dbraw/zinc/91/82/48/721918248.db2.gz DTJYOAAAQFLCBZ-WMZHIEFXSA-N 2 2 429.565 1.210 20 0 IDADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC001165042942 721945607 /nfs/dbraw/zinc/94/56/07/721945607.db2.gz ZXNLJXGEBMUXEV-XLIONFOSSA-N 2 2 443.548 1.699 20 0 IDADLP O=C(c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1)N1CC[NH2+]CC1 ZINC001164948307 721976254 /nfs/dbraw/zinc/97/62/54/721976254.db2.gz XLQPHWCWVFTPNT-UHFFFAOYSA-N 2 2 448.571 1.098 20 0 IDADLP O=C(c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1)N1CC[NH2+]CC1 ZINC001164948307 721976255 /nfs/dbraw/zinc/97/62/55/721976255.db2.gz XLQPHWCWVFTPNT-UHFFFAOYSA-N 2 2 448.571 1.098 20 0 IDADLP CCc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(N2CCOCC2)[nH+]1 ZINC001164997124 722235420 /nfs/dbraw/zinc/23/54/20/722235420.db2.gz KWGKKIMXETWMNX-UHFFFAOYSA-N 2 2 438.580 1.023 20 0 IDADLP