smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C[C@H]3CCO)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164392379 718811176 /nfs/dbraw/zinc/81/11/76/718811176.db2.gz MDNUNDGTOFLCOI-RTBURBONSA-N 1 0 444.620 2.869 20 0 IFADRO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@H]5[NH2+]CCO[C@H]5C3)n2)CCC4)CC1 ZINC001164390445 718824453 /nfs/dbraw/zinc/82/44/53/718824453.db2.gz OQGHPSUJIROQPO-MSOLQXFVSA-N 1 0 427.618 2.979 20 0 IFADRO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@H]5[NH2+]CCO[C@@H]5C3)n2)CCC4)CC1 ZINC001164390447 718824596 /nfs/dbraw/zinc/82/45/96/718824596.db2.gz OQGHPSUJIROQPO-QZTJIDSGSA-N 1 0 427.618 2.979 20 0 IFADRO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@@H]5[NH2+]CCO[C@@H]5C3)n2)CCC4)CC1 ZINC001164390450 718824652 /nfs/dbraw/zinc/82/46/52/718824652.db2.gz OQGHPSUJIROQPO-ZWKOTPCHSA-N 1 0 427.618 2.979 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@H]5C[NH2+]C[C@]5(CO)C4)c32)C1 ZINC001164410282 718853330 /nfs/dbraw/zinc/85/33/30/718853330.db2.gz ZVKYRWZBVATIGU-HOZJOUCCSA-N 1 0 441.645 2.820 20 0 IFADRO O=C1NCCN(C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)C12C[NH2+]C2 ZINC001164414853 718879510 /nfs/dbraw/zinc/87/95/10/718879510.db2.gz YICSGJOMJCWFDS-UHFFFAOYSA-N 1 0 429.858 2.773 20 0 IFADRO CC(C)(C)C(=O)Nc1ccnc(N2CCCCC23CC[NH2+]CC3)c1CN1CC[C@H](CO)C1 ZINC001164420015 718911383 /nfs/dbraw/zinc/91/13/83/718911383.db2.gz FUWOBGRNWZHHGN-IBGZPJMESA-N 1 0 443.636 2.993 20 0 IFADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c2c1C ZINC001164423457 718916228 /nfs/dbraw/zinc/91/62/28/718916228.db2.gz GVEYOFYEPTXLDW-QHCPKHFHSA-N 1 0 445.633 2.879 20 0 IFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCCO[C@]3(C[NH2+]CCOC3)C2)n1 ZINC001164423843 718916583 /nfs/dbraw/zinc/91/65/83/718916583.db2.gz KCIYHCRSGQTJCO-JOCHJYFZSA-N 1 0 433.622 2.735 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164434876 718968171 /nfs/dbraw/zinc/96/81/71/718968171.db2.gz WQZRVPHFMKTWLW-CHWSQXEVSA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164434119 718969097 /nfs/dbraw/zinc/96/90/97/718969097.db2.gz OJTPZMQUGYTWDI-ZIAGYGMSSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CCC([NH+]4CCC(C(=O)OCC)CC4)CC3)c2[nH]1 ZINC001164614097 719025339 /nfs/dbraw/zinc/02/53/39/719025339.db2.gz NEOZWMUJMHUJEF-UHFFFAOYSA-N 1 0 428.533 2.984 20 0 IFADRO CCOC(=O)c1cnc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)cc1OCC ZINC001164618389 719025842 /nfs/dbraw/zinc/02/58/42/719025842.db2.gz VUHFPTFWYYBDHM-UHFFFAOYSA-N 1 0 433.549 2.901 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)COc3ccc(Cl)nn3)CC2)CC1 ZINC001164618611 719031857 /nfs/dbraw/zinc/03/18/57/719031857.db2.gz VSWRSAMHJLNNCZ-UHFFFAOYSA-N 1 0 432.899 2.841 20 0 IFADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001164622622 719046743 /nfs/dbraw/zinc/04/67/43/719046743.db2.gz LAOAKLXIDHHGPP-AEFFLSMTSA-N 1 0 442.919 2.511 20 0 IFADRO COC(=O)C1CCN(c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)CC1 ZINC001164621941 719085619 /nfs/dbraw/zinc/08/56/19/719085619.db2.gz IMEICHJZFGMSAK-FGZHOGPDSA-N 1 0 435.572 2.967 20 0 IFADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@@H]2CF)CC1 ZINC001164621768 719122536 /nfs/dbraw/zinc/12/25/36/719122536.db2.gz NHTRGIRBODXFEQ-HOCLYGCPSA-N 1 0 431.581 2.525 20 0 IFADRO c1cncc(OCc2nnn3c2CN(c2cccc(OCC[NH+]4CCCC4)n2)CCC3)c1 ZINC001164655286 719328075 /nfs/dbraw/zinc/32/80/75/719328075.db2.gz PQHJNZSDXMVCHG-UHFFFAOYSA-N 1 0 435.532 2.532 20 0 IFADRO CC(C)C[NH+]1CCN(c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@H](CO)C2)CC1 ZINC001164657593 719335435 /nfs/dbraw/zinc/33/54/35/719335435.db2.gz TWFRMDCAWGPYPU-IBGZPJMESA-N 1 0 431.625 2.658 20 0 IFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682566 719616601 /nfs/dbraw/zinc/61/66/01/719616601.db2.gz DVLVYMPOVYNBSR-UHFFFAOYSA-N 1 0 427.883 2.802 20 0 IFADRO COC(=O)c1cnc(Cl)c(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164680574 719636213 /nfs/dbraw/zinc/63/62/13/719636213.db2.gz WNMYKGLSNHPHHP-UHFFFAOYSA-N 1 0 427.883 2.802 20 0 IFADRO COc1ccc(CN(C)c2ccnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)n2)cc1 ZINC001164679555 719646848 /nfs/dbraw/zinc/64/68/48/719646848.db2.gz GJFQDVYPUGYDKN-UHFFFAOYSA-N 1 0 435.576 2.793 20 0 IFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc4c(cn3)NC(=O)C4)CC2)c2ccccc21 ZINC001164684455 719660338 /nfs/dbraw/zinc/66/03/38/719660338.db2.gz XMMVNDQLIYKFAP-IBGZPJMESA-N 1 0 447.583 2.670 20 0 IFADRO COc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)n1 ZINC001164682911 719667950 /nfs/dbraw/zinc/66/79/50/719667950.db2.gz QCZJIILGVUYBAR-LJQANCHMSA-N 1 0 437.588 2.887 20 0 IFADRO COCc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164684512 719681983 /nfs/dbraw/zinc/68/19/83/719681983.db2.gz IZXOALQLEJQOAH-LJQANCHMSA-N 1 0 437.588 2.716 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164687488 719722245 /nfs/dbraw/zinc/72/22/45/719722245.db2.gz YFYGDZOXVHRFSE-UHFFFAOYSA-N 1 0 436.535 2.800 20 0 IFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)c2c1 ZINC001164689617 719737055 /nfs/dbraw/zinc/73/70/55/719737055.db2.gz JHSUUNVHPCCUJW-UHFFFAOYSA-N 1 0 445.951 2.641 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164690054 719743095 /nfs/dbraw/zinc/74/30/95/719743095.db2.gz RMYGONMWQJHUCA-UHFFFAOYSA-N 1 0 433.984 2.542 20 0 IFADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@@H]5OCCN(c6ncccn6)[C@H]5C4)ccc3C2)cc1 ZINC001164694807 719796625 /nfs/dbraw/zinc/79/66/25/719796625.db2.gz HOJRIMQFEUSCEO-GOTSBHOMSA-N 1 0 428.540 2.524 20 0 IFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164691700 719802481 /nfs/dbraw/zinc/80/24/81/719802481.db2.gz IYBLMJZYNAWFRD-ROUUACIJSA-N 1 0 448.905 2.541 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](N3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164703705 719876906 /nfs/dbraw/zinc/87/69/06/719876906.db2.gz KFIIETLZZGTNIA-PQNGQFLHSA-N 1 0 430.593 2.861 20 0 IFADRO Cc1noc([C@@]23COC[C@H]2CN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)C3)n1 ZINC001164808563 720064015 /nfs/dbraw/zinc/06/40/15/720064015.db2.gz IELYWIBKNCFQBY-BEFAXECRSA-N 1 0 437.878 2.752 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(N)=O)c(Cl)cn1)CC2 ZINC001164713004 720099729 /nfs/dbraw/zinc/09/97/29/720099729.db2.gz ZVSNYHMDHZOKMA-KRWDZBQOSA-N 1 0 429.952 2.736 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(F)cc1C(N)=O)CC2 ZINC001164714195 720106037 /nfs/dbraw/zinc/10/60/37/720106037.db2.gz AMROWJWDPHZTTC-INIZCTEOSA-N 1 0 447.942 2.876 20 0 IFADRO CCOC(=O)c1cncc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714297 720115141 /nfs/dbraw/zinc/11/51/41/720115141.db2.gz BQHAIPFCDUUEIV-IBGZPJMESA-N 1 0 425.533 2.556 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1[C@H](C)CC(=O)N3)CC2 ZINC001164718641 720119910 /nfs/dbraw/zinc/11/99/10/720119910.db2.gz UEOFFPPMZHORCW-MJGOQNOKSA-N 1 0 436.560 2.825 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1[C@@H](C)CC(=O)N3)CC2 ZINC001164718637 720120824 /nfs/dbraw/zinc/12/08/24/720120824.db2.gz UEOFFPPMZHORCW-HKUYNNGSSA-N 1 0 436.560 2.825 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3ncnc(Cl)c3n1)CC2 ZINC001164713069 720129824 /nfs/dbraw/zinc/12/98/24/720129824.db2.gz QAIMZKVCGWKPET-KRWDZBQOSA-N 1 0 439.951 2.976 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)C2 ZINC001164816320 720155205 /nfs/dbraw/zinc/15/52/05/720155205.db2.gz KWYLWQRBTWMBRN-IFXJQAMLSA-N 1 0 428.911 2.564 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1ccnc(Cl)c1F)[C@H]2COCC[NH+]1CCCC1 ZINC001164714054 720169556 /nfs/dbraw/zinc/16/95/56/720169556.db2.gz NXRYVDWJZHTWHI-HNNXBMFYSA-N 1 0 444.889 2.764 20 0 IFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3ccc(F)cc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715064 720171140 /nfs/dbraw/zinc/17/11/40/720171140.db2.gz SKEHNKFZOXPZKX-GOSISDBHSA-N 1 0 445.930 2.767 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)Oc1cccnc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164719591 720173428 /nfs/dbraw/zinc/17/34/28/720173428.db2.gz WNCPCZXCRGKVDV-HNNXBMFYSA-N 1 0 442.898 2.504 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)Oc1ccc(Cl)nc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719911 720175581 /nfs/dbraw/zinc/17/55/81/720175581.db2.gz YRCUCVGMPDIOOX-MRXNPFEDSA-N 1 0 442.898 2.504 20 0 IFADRO Cn1nnc2c1CCN(c1ncc3cc(Cl)ccc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718249 720184704 /nfs/dbraw/zinc/18/47/04/720184704.db2.gz NZMVBPHEZAKJKG-LJQANCHMSA-N 1 0 427.940 2.628 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cc1C(=O)OCC ZINC001164812933 720203823 /nfs/dbraw/zinc/20/38/23/720203823.db2.gz NIDPXARYKYBCLI-KOSHJBKYSA-N 1 0 445.560 2.620 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(=O)OC(C)(C)C)ccn1)CCC2 ZINC001164811787 720214589 /nfs/dbraw/zinc/21/45/89/720214589.db2.gz KCKUYDURANUYHR-UHFFFAOYSA-N 1 0 427.549 2.844 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc(-c3ccccc3)n1)CCC2 ZINC001164812748 720218320 /nfs/dbraw/zinc/21/83/20/720218320.db2.gz ITNOGXJFQPZAGY-UHFFFAOYSA-N 1 0 439.951 2.999 20 0 IFADRO CSc1nc2c(c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)n1)CCCC2 ZINC001164814106 720220364 /nfs/dbraw/zinc/22/03/64/720220364.db2.gz UGASVRNGTYOXDH-UHFFFAOYSA-N 1 0 428.606 2.885 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(N3CCC(C)CC3)nn1)CCC2 ZINC001164814479 720238686 /nfs/dbraw/zinc/23/86/86/720238686.db2.gz UQLNFOPFZDEIGB-UHFFFAOYSA-N 1 0 425.581 2.520 20 0 IFADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164818745 720288757 /nfs/dbraw/zinc/28/87/57/720288757.db2.gz MOPQHANZEAHACP-ZWKOTPCHSA-N 1 0 434.968 2.823 20 0 IFADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821306 720293841 /nfs/dbraw/zinc/29/38/41/720293841.db2.gz JVFCWTSJTNVFBR-AWTHQZBNSA-N 1 0 426.561 2.569 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(C(=O)OC(C)(C)C)ccn2)CC1 ZINC001164821311 720300436 /nfs/dbraw/zinc/30/04/36/720300436.db2.gz JVXVEPVDNCGVGS-UXHICEINSA-N 1 0 428.577 2.948 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C(=O)OC(C)(C)C)ccn2)CC1 ZINC001164821312 720300623 /nfs/dbraw/zinc/30/06/23/720300623.db2.gz JVXVEPVDNCGVGS-VQTJNVASSA-N 1 0 428.577 2.948 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC ZINC001164827828 720302781 /nfs/dbraw/zinc/30/27/81/720302781.db2.gz YGXLCDWOWDIUTG-VQTJNVASSA-N 1 0 439.560 2.559 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c1 ZINC001164821573 720313315 /nfs/dbraw/zinc/31/33/15/720313315.db2.gz KUBNBXVRCJKGMO-FCHUYYIVSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(OCc3ccccc3)cn2)CC1 ZINC001164833427 720331019 /nfs/dbraw/zinc/33/10/19/720331019.db2.gz XDHLFLJYRFGMPS-FCHUYYIVSA-N 1 0 435.572 2.967 20 0 IFADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833750 720333764 /nfs/dbraw/zinc/33/37/64/720333764.db2.gz XOBYUNDOVDECOI-HOTGVXAUSA-N 1 0 443.926 2.595 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)nn1 ZINC001164822285 720340775 /nfs/dbraw/zinc/34/07/75/720340775.db2.gz CZDOKSZAOJOMMI-SJORKVTESA-N 1 0 427.927 2.895 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccncc3)nc3c2CCC3)CC1 ZINC001164831576 720346893 /nfs/dbraw/zinc/34/68/93/720346893.db2.gz YUASARSOKGPFTO-GOTSBHOMSA-N 1 0 446.599 2.939 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccncc3)nc3c2CCC3)CC1 ZINC001164831579 720347456 /nfs/dbraw/zinc/34/74/56/720347456.db2.gz YUASARSOKGPFTO-PKTZIBPZSA-N 1 0 446.599 2.939 20 0 IFADRO CCCSc1ncnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1OC ZINC001164830278 720353684 /nfs/dbraw/zinc/35/36/84/720353684.db2.gz VRJDACDHTMHRIB-MSOLQXFVSA-N 1 0 433.622 2.899 20 0 IFADRO O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164724458 720501907 /nfs/dbraw/zinc/50/19/07/720501907.db2.gz GIFVPESCTUWLMF-YKSBVNFPSA-N 1 0 437.544 2.575 20 0 IFADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840755 720508447 /nfs/dbraw/zinc/50/84/47/720508447.db2.gz XJZATELEEBREJY-ZIFCJYIRSA-N 1 0 444.605 2.950 20 0 IFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834705 720516736 /nfs/dbraw/zinc/51/67/36/720516736.db2.gz HENWJWFNANNYGS-XQBPLPMBSA-N 1 0 434.544 2.991 20 0 IFADRO CCOC(=O)c1cc(Cl)nnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837192 720522426 /nfs/dbraw/zinc/52/24/26/720522426.db2.gz OJQNFXDSVMJJJU-LZLYRXPVSA-N 1 0 432.956 2.881 20 0 IFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1 ZINC001164733352 720522625 /nfs/dbraw/zinc/52/26/25/720522625.db2.gz JEAJSYFQTUDOTK-AWEZNQCLSA-N 1 0 428.924 2.854 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc21 ZINC001164836114 720526650 /nfs/dbraw/zinc/52/66/50/720526650.db2.gz MTQKTKFQGCIXLM-NPPFBWRTSA-N 1 0 434.544 2.991 20 0 IFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)C1 ZINC001164736566 720533868 /nfs/dbraw/zinc/53/38/68/720533868.db2.gz ZLZWIAXFNDVHEX-ZDUSSCGKSA-N 1 0 428.871 2.766 20 0 IFADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839618 720548406 /nfs/dbraw/zinc/54/84/06/720548406.db2.gz QVLHKRYSXYZANI-ZHALLVOQSA-N 1 0 446.983 2.810 20 0 IFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164736165 720583470 /nfs/dbraw/zinc/58/34/70/720583470.db2.gz FVUKRYUWLTUZJJ-UHFFFAOYSA-N 1 0 432.528 2.770 20 0 IFADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838292 720583651 /nfs/dbraw/zinc/58/36/51/720583651.db2.gz KPVJCTZYCHEIOH-IRFCIJBXSA-N 1 0 426.565 2.598 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1C ZINC001164838738 720595900 /nfs/dbraw/zinc/59/59/00/720595900.db2.gz LJKCWUJLVDYUMN-YESZJQIVSA-N 1 0 428.972 2.899 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1C ZINC001164838736 720596458 /nfs/dbraw/zinc/59/64/58/720596458.db2.gz LJKCWUJLVDYUMN-GVDBMIGSSA-N 1 0 428.972 2.899 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(Cn4ccccc4=O)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839786 720611816 /nfs/dbraw/zinc/61/18/16/720611816.db2.gz OPBYVWLIHWIFCP-RJGXRXQPSA-N 1 0 432.572 2.866 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCSCC4)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838153 720628840 /nfs/dbraw/zinc/62/88/40/720628840.db2.gz KATFJGVPBQVOLK-HSALFYBXSA-N 1 0 427.622 2.604 20 0 IFADRO C[C@H]1C(=O)Nc2cnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2N1C ZINC001164844418 720692801 /nfs/dbraw/zinc/69/28/01/720692801.db2.gz RVYASOOFKDHCBC-PKOBYXMFSA-N 1 0 436.560 2.513 20 0 IFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(CN3C(=O)CCC3=O)cn1)CC2 ZINC001164840367 720700659 /nfs/dbraw/zinc/70/06/59/720700659.db2.gz DGOMBSGLPSVNQX-QFIPXVFZSA-N 1 0 448.567 2.991 20 0 IFADRO Clc1ncc(OCc2ccccc2)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740066 720702948 /nfs/dbraw/zinc/70/29/48/720702948.db2.gz PLVFEQQNZGBNFD-MSOLQXFVSA-N 1 0 438.919 2.841 20 0 IFADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738999 720720499 /nfs/dbraw/zinc/72/04/99/720720499.db2.gz HKCGOLYXDDYIEG-HOTGVXAUSA-N 1 0 432.862 2.960 20 0 IFADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739001 720722501 /nfs/dbraw/zinc/72/25/01/720722501.db2.gz HKCGOLYXDDYIEG-HZPDHXFCSA-N 1 0 432.862 2.960 20 0 IFADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164739448 720727735 /nfs/dbraw/zinc/72/77/35/720727735.db2.gz IQZNNGMRNLNHJP-GOEBONIOSA-N 1 0 443.870 2.588 20 0 IFADRO CN(C)c1cc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc(Cl)n1 ZINC001164843437 720740635 /nfs/dbraw/zinc/74/06/35/720740635.db2.gz JTGXVLBPZPJCRJ-UHFFFAOYSA-N 1 0 425.915 2.990 20 0 IFADRO c1csc(-c2noc(-c3ccnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c3)n2)c1 ZINC001164747452 720785122 /nfs/dbraw/zinc/78/51/22/720785122.db2.gz OBXGUZHWHMLOMS-IAGOWNOFSA-N 1 0 447.524 2.992 20 0 IFADRO c1csc(-c2noc(-c3ccnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c3)n2)c1 ZINC001164747458 720785168 /nfs/dbraw/zinc/78/51/68/720785168.db2.gz OBXGUZHWHMLOMS-SJORKVTESA-N 1 0 447.524 2.992 20 0 IFADRO c1csc(-c2noc(-c3ccnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c3)n2)c1 ZINC001164747455 720785652 /nfs/dbraw/zinc/78/56/52/720785652.db2.gz OBXGUZHWHMLOMS-IRXDYDNUSA-N 1 0 447.524 2.992 20 0 IFADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164746709 720796792 /nfs/dbraw/zinc/79/67/92/720796792.db2.gz MSUVPDMUEZCVRY-SJORKVTESA-N 1 0 431.525 2.885 20 0 IFADRO Clc1cccc(COc2cncc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164742376 720801832 /nfs/dbraw/zinc/80/18/32/720801832.db2.gz CYDJZMVYNPYKIK-MOPGFXCFSA-N 1 0 438.919 2.841 20 0 IFADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1Cl ZINC001164742339 720813125 /nfs/dbraw/zinc/81/31/25/720813125.db2.gz CWALCNUARPYZQJ-FUHIMQAGSA-N 1 0 444.967 2.883 20 0 IFADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739720 720817490 /nfs/dbraw/zinc/81/74/90/720817490.db2.gz IBBCDMUTUQDUCW-IXDOHACOSA-N 1 0 437.926 2.954 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164740652 720824114 /nfs/dbraw/zinc/82/41/14/720824114.db2.gz KIFHALAZZMJFFI-QNWVGRARSA-N 1 0 446.555 2.992 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c1 ZINC001164744460 720824605 /nfs/dbraw/zinc/82/46/05/720824605.db2.gz ULEIBXRXZGHBMN-QNWVGRARSA-N 1 0 446.555 2.992 20 0 IFADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737919 720830582 /nfs/dbraw/zinc/83/05/82/720830582.db2.gz CKHMVPPNELWEEH-IIDMSEBBSA-N 1 0 437.926 2.833 20 0 IFADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737913 720830587 /nfs/dbraw/zinc/83/05/87/720830587.db2.gz CKHMVPPNELWEEH-HDMKZQKVSA-N 1 0 437.926 2.833 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c(OC)c1 ZINC001164747349 720832593 /nfs/dbraw/zinc/83/25/93/720832593.db2.gz QINRAHNATXSDOE-BBTUJRGHSA-N 1 0 449.559 2.618 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c(OC)c1 ZINC001164747356 720832796 /nfs/dbraw/zinc/83/27/96/720832796.db2.gz QINRAHNATXSDOE-LVCYWYKZSA-N 1 0 449.559 2.618 20 0 IFADRO Nc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164750304 720834163 /nfs/dbraw/zinc/83/41/63/720834163.db2.gz XFPZGPXVCBZVIJ-DJIMGWMZSA-N 1 0 437.926 2.833 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164748059 720834958 /nfs/dbraw/zinc/83/49/58/720834958.db2.gz SJAMRMPAMSQYQO-PCCBWWKXSA-N 1 0 438.576 2.846 20 0 IFADRO COC(=O)c1ccc2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164750410 720844285 /nfs/dbraw/zinc/84/42/85/720844285.db2.gz XLCWLDDFOKIJCD-DNVJHFABSA-N 1 0 446.555 2.992 20 0 IFADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccccn2)n1 ZINC001164740486 720845930 /nfs/dbraw/zinc/84/59/30/720845930.db2.gz BZKGXBINSILVGV-JAXLGGSGSA-N 1 0 430.560 2.818 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)nn1 ZINC001164741188 720848539 /nfs/dbraw/zinc/84/85/39/720848539.db2.gz DTBARSBAAPKPJL-JFIYKMOQSA-N 1 0 437.926 2.954 20 0 IFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164860148 720852057 /nfs/dbraw/zinc/85/20/57/720852057.db2.gz VPMLXSSJDYLHIU-CRAIPNDOSA-N 1 0 448.951 2.633 20 0 IFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748242 720855399 /nfs/dbraw/zinc/85/53/99/720855399.db2.gz LGYGYEWPYXNHET-NJDAHSKKSA-N 1 0 446.559 2.980 20 0 IFADRO COc1cc(OC)c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164752771 720859886 /nfs/dbraw/zinc/85/98/86/720859886.db2.gz UQLSWSPNOUGUMD-DBXWQHBBSA-N 1 0 449.559 2.618 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)CC[C@H]2C1 ZINC001164859508 720859863 /nfs/dbraw/zinc/85/98/63/720859863.db2.gz UDSHZKNEKKTECN-SIKLNZKXSA-N 1 0 439.535 2.792 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001164854851 720860563 /nfs/dbraw/zinc/86/05/63/720860563.db2.gz LEXCDOYMDFIQQQ-KNQAVFIVSA-N 1 0 439.535 2.792 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)CC[C@H]2C1 ZINC001164856023 720862802 /nfs/dbraw/zinc/86/28/02/720862802.db2.gz NPWAUZZYWSOXTE-MAUKXSAKSA-N 1 0 425.957 2.864 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)CC[C@@H]2C1 ZINC001164856910 720863516 /nfs/dbraw/zinc/86/35/16/720863516.db2.gz PXTBZGWPWVJPAU-PBHICJAKSA-N 1 0 437.903 2.630 20 0 IFADRO Cn1cnc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754384 720874786 /nfs/dbraw/zinc/87/47/86/720874786.db2.gz RPDMRTPMEODFPJ-HYBUGGRVSA-N 1 0 433.560 2.513 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)CC[C@H]2C1 ZINC001164853888 720877962 /nfs/dbraw/zinc/87/79/62/720877962.db2.gz DMMCGBLILBUCAQ-ROUUACIJSA-N 1 0 425.558 2.927 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)CC[C@H]2C1 ZINC001164864605 720880065 /nfs/dbraw/zinc/88/00/65/720880065.db2.gz WCPUPRMFFCFSSW-FCHUYYIVSA-N 1 0 425.529 2.612 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccncc4)nc4sccc43)CC[C@H]2C1 ZINC001164861515 720885247 /nfs/dbraw/zinc/88/52/47/720885247.db2.gz PPUGDPNHOUAVMZ-PKOBYXMFSA-N 1 0 425.558 2.927 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Oc4ccc(OC)cc4)nc(C)n3)CC[C@@H]2C1 ZINC001164858250 720885897 /nfs/dbraw/zinc/88/58/97/720885897.db2.gz KQAWACUQYXKLFW-NQIIRXRSSA-N 1 0 428.533 2.759 20 0 IFADRO COc1ncc(F)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752739 720886941 /nfs/dbraw/zinc/88/69/41/720886941.db2.gz FYEFVONPUCSXHR-AUSIDOKSSA-N 1 0 427.524 2.774 20 0 IFADRO COc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1OC ZINC001164756822 720889177 /nfs/dbraw/zinc/88/91/77/720889177.db2.gz RDSOWWMQTYHIAU-YKSBVNFPSA-N 1 0 439.560 2.644 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)CC[C@@H]2C1 ZINC001164856713 720890061 /nfs/dbraw/zinc/89/00/61/720890061.db2.gz JAZXQNKIFYREFJ-ZBFHGGJFSA-N 1 0 448.898 2.545 20 0 IFADRO O=C1COc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2N1 ZINC001164750726 720891584 /nfs/dbraw/zinc/89/15/84/720891584.db2.gz BRNIXWHLIAJPEX-NLFFAJNJSA-N 1 0 449.555 2.563 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC[C@@H]2C1 ZINC001164855087 720892865 /nfs/dbraw/zinc/89/28/65/720892865.db2.gz AIOZCAPEQLRANQ-OLZOCXBDSA-N 1 0 447.939 2.544 20 0 IFADRO C[C@@H]1C(=O)Nc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164753906 720894677 /nfs/dbraw/zinc/89/46/77/720894677.db2.gz HUZVUTKSBZLUBU-OYRDERLMSA-N 1 0 448.571 2.682 20 0 IFADRO Cc1nc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2[nH]1 ZINC001164752679 720898944 /nfs/dbraw/zinc/89/89/44/720898944.db2.gz FQFHXUKYWVZQFF-RDPSFJRHSA-N 1 0 433.560 2.763 20 0 IFADRO Cc1cc(C(N)=O)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752334 720934677 /nfs/dbraw/zinc/93/46/77/720934677.db2.gz NWYHGNYTWZDUEJ-RDGATRHJSA-N 1 0 435.572 2.639 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164749218 720954778 /nfs/dbraw/zinc/95/47/78/720954778.db2.gz BKELSSWVCJLVSP-UHFFFAOYSA-N 1 0 434.274 2.775 20 0 IFADRO COC(=O)c1cc2c(OC)[nH]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)cc-2n1 ZINC001164860743 720957429 /nfs/dbraw/zinc/95/74/29/720957429.db2.gz ROUGCEQDQTYPRF-AWEZNQCLSA-N 1 0 426.521 2.976 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc(Cl)nc1-c1ccccc1)CC2 ZINC001164753446 720964805 /nfs/dbraw/zinc/96/48/05/720964805.db2.gz FPKYKOKUSWRQFN-UHFFFAOYSA-N 1 0 426.908 2.639 20 0 IFADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N(c2ccc(C[N@H+](C)C3CC3)cn2)C1 ZINC001164759054 721016180 /nfs/dbraw/zinc/01/61/80/721016180.db2.gz KEKZCLQETHGQDL-PTUXOGIPSA-N 1 0 435.572 2.713 20 0 IFADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2ccc(C[NH+]3CCCC3)cn2)C1 ZINC001164757958 721016213 /nfs/dbraw/zinc/01/62/13/721016213.db2.gz GTMLVXDLCWYKRX-YMPZKCBVSA-N 1 0 435.572 2.715 20 0 IFADRO CCOC(=O)c1nc2ccccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870482 721053536 /nfs/dbraw/zinc/05/35/36/721053536.db2.gz VZNVJXUMRJSKIX-RTBURBONSA-N 1 0 433.512 2.681 20 0 IFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868890 721060269 /nfs/dbraw/zinc/06/02/69/721060269.db2.gz QXZOAOSXUWISHA-HZPDHXFCSA-N 1 0 438.910 2.616 20 0 IFADRO COC(=O)c1cc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cnc1Cl ZINC001164773758 721105627 /nfs/dbraw/zinc/10/56/27/721105627.db2.gz YVODZRZKLYVCEU-HUUCEWRRSA-N 1 0 439.894 2.758 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164771363 721115478 /nfs/dbraw/zinc/11/54/78/721115478.db2.gz SHGPYVQSXCPNOF-GOTSBHOMSA-N 1 0 443.599 2.727 20 0 IFADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164764192 721122343 /nfs/dbraw/zinc/12/23/43/721122343.db2.gz HHQKPBBKOVOAKC-LSDHHAIUSA-N 1 0 439.894 2.758 20 0 IFADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164876511 721123109 /nfs/dbraw/zinc/12/31/09/721123109.db2.gz MXUUJBRFLXMNEL-ARMKIQIJSA-N 1 0 433.512 2.624 20 0 IFADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164876514 721123693 /nfs/dbraw/zinc/12/36/93/721123693.db2.gz MXUUJBRFLXMNEL-XRPLYRAWSA-N 1 0 433.512 2.624 20 0 IFADRO Cc1cc(NC(=O)c2cccnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)no1 ZINC001164875520 721138345 /nfs/dbraw/zinc/13/83/45/721138345.db2.gz LRXBHPRUYABFAC-RTBURBONSA-N 1 0 434.500 2.505 20 0 IFADRO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164764779 721148860 /nfs/dbraw/zinc/14/88/60/721148860.db2.gz HXBWSMMNOVJZJU-IEBWSBKVSA-N 1 0 430.984 2.909 20 0 IFADRO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164764777 721149399 /nfs/dbraw/zinc/14/93/99/721149399.db2.gz HXBWSMMNOVJZJU-HKUYNNGSSA-N 1 0 430.984 2.909 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001164765092 721159103 /nfs/dbraw/zinc/15/91/03/721159103.db2.gz IXEXXRSLQGNZPA-LSDHHAIUSA-N 1 0 433.894 2.915 20 0 IFADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164876551 721166966 /nfs/dbraw/zinc/16/69/66/721166966.db2.gz NDQKRFUAQOJZAL-NHCUHLMSSA-N 1 0 428.540 2.902 20 0 IFADRO CCOC(=O)c1cc2ncnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2s1 ZINC001164769417 721168060 /nfs/dbraw/zinc/16/80/60/721168060.db2.gz MHUHMUPZKUFGBV-CVEARBPZSA-N 1 0 426.546 2.560 20 0 IFADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164771135 721171382 /nfs/dbraw/zinc/17/13/82/721171382.db2.gz PJULVCJVZRGEKL-RTWAWAEBSA-N 1 0 447.587 2.707 20 0 IFADRO Clc1nc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880990 721171893 /nfs/dbraw/zinc/17/18/93/721171893.db2.gz YQKZIQLQHXJFQW-ZIAGYGMSSA-N 1 0 432.315 2.601 20 0 IFADRO COC(=O)c1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c2ccccc2c1OC ZINC001164773369 721223376 /nfs/dbraw/zinc/22/33/76/721223376.db2.gz WSMWXUIEUFYABT-ZWKOTPCHSA-N 1 0 435.528 2.722 20 0 IFADRO COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164875972 721225098 /nfs/dbraw/zinc/22/50/98/721225098.db2.gz YSAKICRUAIVYDV-HXUWFJFHSA-N 1 0 425.577 2.629 20 0 IFADRO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164875968 721225362 /nfs/dbraw/zinc/22/53/62/721225362.db2.gz YSAKICRUAIVYDV-FQEVSTJZSA-N 1 0 425.577 2.629 20 0 IFADRO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164760705 721229434 /nfs/dbraw/zinc/22/94/34/721229434.db2.gz GENLFGBQXZRTMP-SFTDATJTSA-N 1 0 431.544 2.729 20 0 IFADRO COc1ccc(CN(C)c2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164767953 721230506 /nfs/dbraw/zinc/23/05/06/721230506.db2.gz XGTFQMQPEYNYGD-VXKWHMMOSA-N 1 0 447.587 2.813 20 0 IFADRO Cc1ccc2nc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c(Cl)nc2c1 ZINC001164870304 721270877 /nfs/dbraw/zinc/27/08/77/721270877.db2.gz VNBUUBCZZPYBGK-UHFFFAOYSA-N 1 0 431.968 2.599 20 0 IFADRO Cc1sc2nc(C)nc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2c1C ZINC001164869833 721272123 /nfs/dbraw/zinc/27/21/23/721272123.db2.gz PFTXAQZRNLLNPT-UHFFFAOYSA-N 1 0 431.606 2.624 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(C(F)F)nc4ccccc43)CC2)C1 ZINC001164873814 721287151 /nfs/dbraw/zinc/28/71/51/721287151.db2.gz BHYCTYFVARPBMI-UHFFFAOYSA-N 1 0 433.503 2.574 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3c(Cl)nc(Cl)nc3C3CC3)CC2)C1 ZINC001164878591 721292414 /nfs/dbraw/zinc/29/24/14/721292414.db2.gz RKLLUTACBIXFJK-UHFFFAOYSA-N 1 0 442.391 2.668 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CCC4(C[C@H](Oc5ncccc5F)CO4)CC3)n2)CC1 ZINC001164776594 721326321 /nfs/dbraw/zinc/32/63/21/721326321.db2.gz GRIXHSCYNJIUQK-SFHVURJKSA-N 1 0 427.524 2.574 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(Cl)c(C(N)=O)n3)C2)C1 ZINC001164777429 721336589 /nfs/dbraw/zinc/33/65/89/721336589.db2.gz NEQOUTDHZOQBIX-NRFANRHFSA-N 1 0 433.940 2.558 20 0 IFADRO O=C(c1ccccc1)N1CCO[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]2C1 ZINC001164883797 721350654 /nfs/dbraw/zinc/35/06/54/721350654.db2.gz MCCVWUIVKWOADH-VXKWHMMOSA-N 1 0 436.556 2.534 20 0 IFADRO CCOC(=O)Cc1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164778769 721351399 /nfs/dbraw/zinc/35/13/99/721351399.db2.gz OLHRHZPXJUUALG-DEOSSOPVSA-N 1 0 442.560 2.911 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+][n-]c(Cl)c4ncnc3-4)C2)C1 ZINC001164780002 721357045 /nfs/dbraw/zinc/35/70/45/721357045.db2.gz BVXCMIJTJPPBLT-HXUWFJFHSA-N 1 0 431.928 2.730 20 0 IFADRO CCn1cnc2c1ncnc2N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164780223 721366273 /nfs/dbraw/zinc/36/62/73/721366273.db2.gz DILICRBSMAOWHM-JOCHJYFZSA-N 1 0 425.537 2.570 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884456 721384313 /nfs/dbraw/zinc/38/43/13/721384313.db2.gz BCYXVICHQWHXCY-LPHOPBHVSA-N 1 0 429.943 2.749 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CCO[C@@]4(CCC[C@@H]4COCc4ccncc4)C3)n2)CC1 ZINC001164779613 721385518 /nfs/dbraw/zinc/38/55/18/721385518.db2.gz BEKNRPIPPGZKIH-RDGATRHJSA-N 1 0 437.588 2.821 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C(=O)OC(C)(C)C)ccn4)C3)O2)CC1 ZINC001164887387 721389462 /nfs/dbraw/zinc/38/94/62/721389462.db2.gz HXMOZNGRCNOZRA-RDPSFJRHSA-N 1 0 430.593 2.802 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CSCC5)C3)O2)CC1 ZINC001164887741 721389761 /nfs/dbraw/zinc/38/97/61/721389761.db2.gz IFLQFISRHDOEPY-HRAATJIYSA-N 1 0 438.041 2.685 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(C(=O)OC(C)(C)C)ccn4)C3)O2)CC1 ZINC001164887381 721389838 /nfs/dbraw/zinc/38/98/38/721389838.db2.gz HXMOZNGRCNOZRA-GBXCKJPGSA-N 1 0 430.593 2.802 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(NC(=O)OC(C)(C)C)ncn4)C3)O2)CC1 ZINC001164892186 721392235 /nfs/dbraw/zinc/39/22/35/721392235.db2.gz SANBXFVMUMYGTP-WZONZLPQSA-N 1 0 446.596 2.589 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4COC5(C)C)C3)O2)CC1 ZINC001164892924 721398140 /nfs/dbraw/zinc/39/81/40/721398140.db2.gz URVOLAQIMFZUKO-KSFYIVLOSA-N 1 0 436.000 2.661 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164888888 721404169 /nfs/dbraw/zinc/40/41/69/721404169.db2.gz PDLUIQHCFKQXNO-BWKNWUBXSA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4N)C3)O2)CC1 ZINC001164886240 721414178 /nfs/dbraw/zinc/41/41/78/721414178.db2.gz IJXDUDODPVOBSI-BEFAXECRSA-N 1 0 429.943 2.628 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(OCc5ccccc5)cnn4)C3)O2)CC1 ZINC001164891452 721419099 /nfs/dbraw/zinc/41/90/99/721419099.db2.gz WGCKSQDBLHRRLE-DHLKQENFSA-N 1 0 437.588 2.821 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883495 721422529 /nfs/dbraw/zinc/42/25/29/721422529.db2.gz ADSPDSQIGUXLGQ-CJFMBICVSA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C3)O2)CC1 ZINC001164894315 721427781 /nfs/dbraw/zinc/42/77/81/721427781.db2.gz LLSUVIQCQMZAPI-RDTXWAMCSA-N 1 0 447.983 2.729 20 0 IFADRO COc1ccccc1-c1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164898760 721434968 /nfs/dbraw/zinc/43/49/68/721434968.db2.gz WWIZNPMOZIIAEB-NLFFAJNJSA-N 1 0 437.588 2.918 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164890407 721447665 /nfs/dbraw/zinc/44/76/65/721447665.db2.gz RMPFMSBKDNMNDQ-VGOFRKELSA-N 1 0 436.984 2.595 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164890402 721447860 /nfs/dbraw/zinc/44/78/60/721447860.db2.gz RMPFMSBKDNMNDQ-HTAPYJJXSA-N 1 0 436.984 2.595 20 0 IFADRO CCOC(=O)c1cccnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164789369 721451411 /nfs/dbraw/zinc/45/14/11/721451411.db2.gz VBMZVQLHVXMWKB-FQEVSTJZSA-N 1 0 431.577 2.992 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)cc1C(N)=O)CC2 ZINC001164785966 721452030 /nfs/dbraw/zinc/45/20/30/721452030.db2.gz KKZXDMGHAJMZOB-GOSISDBHSA-N 1 0 436.984 2.568 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(N)=O)c(Cl)cn1)CC2 ZINC001164790416 721452188 /nfs/dbraw/zinc/45/21/88/721452188.db2.gz YVZKGYDWRASMPW-QGZVFWFLSA-N 1 0 436.984 2.568 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C(=O)OC)c1C)CC2 ZINC001164790137 721455159 /nfs/dbraw/zinc/45/51/59/721455159.db2.gz WXZCLKXTNZZILD-HXUWFJFHSA-N 1 0 431.577 2.911 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc(Cl)n1)CC2 ZINC001164786009 721455316 /nfs/dbraw/zinc/45/53/16/721455316.db2.gz LZDPPFQOUAKZSG-HNNXBMFYSA-N 1 0 430.380 2.912 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ccc1C(N)=O)CC2 ZINC001164785655 721460321 /nfs/dbraw/zinc/46/03/21/721460321.db2.gz MIWKGOBHHVZNJL-QGZVFWFLSA-N 1 0 436.984 2.568 20 0 IFADRO CCNC(=O)c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164787461 721466942 /nfs/dbraw/zinc/46/69/42/721466942.db2.gz FYBUAORDJKEGTR-OAQYLSRUSA-N 1 0 430.593 2.565 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3nnco3)ccn1)CC2 ZINC001164786303 721468407 /nfs/dbraw/zinc/46/84/07/721468407.db2.gz ASEBHMQUILOWBX-HXUWFJFHSA-N 1 0 427.549 2.866 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3nnco3)ccn1)CC2 ZINC001164786301 721468701 /nfs/dbraw/zinc/46/87/01/721468701.db2.gz ASEBHMQUILOWBX-FQEVSTJZSA-N 1 0 427.549 2.866 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)nccc1C(N)=O)CC2 ZINC001164789976 721471523 /nfs/dbraw/zinc/47/15/23/721471523.db2.gz PRCXTXPHBZBWEB-KRWDZBQOSA-N 1 0 436.984 2.568 20 0 IFADRO C[N@H+](Cc1ccc(N2C[C@@H]3COC[C@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)nc1)C1CC1 ZINC001164894534 721479273 /nfs/dbraw/zinc/47/92/73/721479273.db2.gz NNDFOLAMTDXNPI-NNMXDRDESA-N 1 0 430.568 2.725 20 0 IFADRO O=C(C[C@@H]1COC[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21)N1CCC(F)CC1 ZINC001164895685 721479660 /nfs/dbraw/zinc/47/96/60/721479660.db2.gz MQFGDBYZQGDGJQ-RZUBCFFCSA-N 1 0 430.568 2.727 20 0 IFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164796803 721500650 /nfs/dbraw/zinc/50/06/50/721500650.db2.gz YNKOTFBAFUMFDP-UHFFFAOYSA-N 1 0 441.601 2.798 20 0 IFADRO CC(C)C(=O)N[C@H]1COCCC12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164895945 721501874 /nfs/dbraw/zinc/50/18/74/721501874.db2.gz FWYUJWAEGGBTPZ-FQEVSTJZSA-N 1 0 430.593 2.704 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(Cl)ncc2Cl)CC3)CC1 ZINC001164795283 721509427 /nfs/dbraw/zinc/50/94/27/721509427.db2.gz JNSAZIHDKXETDY-UHFFFAOYSA-N 1 0 431.318 2.897 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4cc(C(C)(C)C)sc42)CC3)CC1 ZINC001164794115 721511424 /nfs/dbraw/zinc/51/14/24/721511424.db2.gz GJZKYDDIDQKPRM-UHFFFAOYSA-N 1 0 425.606 2.953 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc(SCc4ccccc4)n2)CC3)CC1 ZINC001164795685 721521290 /nfs/dbraw/zinc/52/12/90/721521290.db2.gz RLWHTRRIPBMUJK-UHFFFAOYSA-N 1 0 435.601 2.733 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)CC3)CC1 ZINC001164795664 721522493 /nfs/dbraw/zinc/52/24/93/721522493.db2.gz QRBHZNXBVZFYBH-UHFFFAOYSA-N 1 0 436.938 2.819 20 0 IFADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[N@@H+]5C[C@@H](Oc6cccc(F)c6)C[C@@H]5C4)c3)cc21 ZINC001164910351 721531367 /nfs/dbraw/zinc/53/13/67/721531367.db2.gz UKSGGXWVRZMAOD-QUCCMNQESA-N 1 0 447.514 2.844 20 0 IFADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164912021 721548425 /nfs/dbraw/zinc/54/84/25/721548425.db2.gz YDGYEFDDQBZXAV-SJLPKXTDSA-N 1 0 439.491 2.626 20 0 IFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164907551 721551191 /nfs/dbraw/zinc/55/11/91/721551191.db2.gz OHKBTWSTVKTGJD-ZFWWWQNUSA-N 1 0 445.882 2.879 20 0 IFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904262 721566844 /nfs/dbraw/zinc/56/68/44/721566844.db2.gz DQRMCBOJWVFWJZ-UNEWFSDZSA-N 1 0 434.899 2.888 20 0 IFADRO CCOC(=O)[C@@H]1CCc2nnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)cc2C1 ZINC001164905884 721567752 /nfs/dbraw/zinc/56/77/52/721567752.db2.gz HQTLTCHXMUKKRX-OZOXKJRCSA-N 1 0 440.519 2.626 20 0 IFADRO COC(=O)CSc1cccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164800865 721571343 /nfs/dbraw/zinc/57/13/43/721571343.db2.gz FTMYJRGZDBTZRS-KGVIQGDOSA-N 1 0 428.558 2.610 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CCC4(CCOC[C@@H]4COc4cccnc4)CC3)n2)CC1 ZINC001164799312 721603960 /nfs/dbraw/zinc/60/39/60/721603960.db2.gz JOFHHEWKIYNNLF-OAQYLSRUSA-N 1 0 437.588 2.931 20 0 IFADRO CCOC(=O)c1cnc(OC)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904907 721700385 /nfs/dbraw/zinc/70/03/85/721700385.db2.gz HNTMVYXEZRBWFI-OAQYLSRUSA-N 1 0 447.486 2.795 20 0 IFADRO CON(C)C(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164909149 721730649 /nfs/dbraw/zinc/73/06/49/721730649.db2.gz CNYGJPUTAGMVNB-NRFANRHFSA-N 1 0 431.487 2.848 20 0 IFADRO O=C1CSc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2N1 ZINC001164912611 721736717 /nfs/dbraw/zinc/73/67/17/721736717.db2.gz OVHYZZQUMONRSE-LJQANCHMSA-N 1 0 432.500 2.654 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(-c3nc(C(C)(C)C)no3)ccn2)CC1 ZINC001165010297 721743471 /nfs/dbraw/zinc/74/34/71/721743471.db2.gz LJLFEXALZYIXPN-UHFFFAOYSA-N 1 0 426.565 2.952 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C2)nc1)C1CC1 ZINC001165014294 721753722 /nfs/dbraw/zinc/75/37/22/721753722.db2.gz XUDNWOYNUPZTRQ-SGNDLWITSA-N 1 0 449.599 2.661 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@@]3(CN(C(=O)C(C)C)CCO3)C2)nc1 ZINC001165020959 721788277 /nfs/dbraw/zinc/78/82/77/721788277.db2.gz MOKNTJVGKZIWGP-URXFXBBRSA-N 1 0 430.593 2.719 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(S(N)(=O)=O)cc3Cl)C[C@@H]21 ZINC001165018795 721809123 /nfs/dbraw/zinc/80/91/23/721809123.db2.gz AFWOXZPQFUDXQM-UCLAIMLFSA-N 1 0 435.981 2.514 20 0 IFADRO CCNS(=O)(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020805 721817702 /nfs/dbraw/zinc/81/77/02/721817702.db2.gz DDIQTMUDOQVZDD-YSIASYRMSA-N 1 0 429.590 2.512 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(CCOC)CCO[C@@H]3C2)nc1 ZINC001164923268 721844920 /nfs/dbraw/zinc/84/49/20/721844920.db2.gz UQVKUSNMBHSNDZ-BHDDXSALSA-N 1 0 430.593 2.719 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)COCc3cnc(-c5ccccc5)nc34)n2)CC1 ZINC001164928789 721898818 /nfs/dbraw/zinc/89/88/18/721898818.db2.gz PCODQNFIJJIPMU-AREMUKBSSA-N 1 0 442.567 2.969 20 0 IFADRO CN(C)C(=O)c1cc2cnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2n1C1CCCC1 ZINC001165038400 721909882 /nfs/dbraw/zinc/90/98/82/721909882.db2.gz LGIZPTMHXKYAHY-IBGZPJMESA-N 1 0 426.565 2.549 20 0 IFADRO COC(=O)c1cc2cnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nc2n1C ZINC001164940004 721930207 /nfs/dbraw/zinc/93/02/07/721930207.db2.gz PLCGGUWMNLAVMG-UHFFFAOYSA-N 1 0 449.555 2.935 20 0 IFADRO Cc1cc(CN(C)c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)n(C)n1 ZINC001165051104 721990007 /nfs/dbraw/zinc/99/00/07/721990007.db2.gz NYOGBJAACFBOCF-KRWDZBQOSA-N 1 0 428.581 2.559 20 0 IFADRO O=S(=O)(c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1)N1CCCC1 ZINC001164955702 722021621 /nfs/dbraw/zinc/02/16/21/722021621.db2.gz NTTHKDDJPHOTTG-UHFFFAOYSA-N 1 0 441.601 2.754 20 0 IFADRO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164956211 722021987 /nfs/dbraw/zinc/02/19/87/722021987.db2.gz YGPXGZDKYYQMGS-UHFFFAOYSA-N 1 0 443.617 3.000 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@H]3COC[C@@H]32)nc1 ZINC001164962493 722037955 /nfs/dbraw/zinc/03/79/55/722037955.db2.gz NQQRCSMURVIJOJ-SRUXOGRHSA-N 1 0 437.588 2.991 20 0 IFADRO COC(=O)c1cccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncc21 ZINC001164963879 722054531 /nfs/dbraw/zinc/05/45/31/722054531.db2.gz PKTKTZUDDSABPL-UHFFFAOYSA-N 1 0 447.539 2.930 20 0 IFADRO CN(C)C(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)c1 ZINC001164962213 722059823 /nfs/dbraw/zinc/05/98/23/722059823.db2.gz QEBMBXIPYLGVRV-UHFFFAOYSA-N 1 0 443.979 2.951 20 0 IFADRO O=c1ccccn1Cc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164961682 722060454 /nfs/dbraw/zinc/06/04/54/722060454.db2.gz NZMQBTSOSKEUDF-UHFFFAOYSA-N 1 0 445.567 2.806 20 0 IFADRO O=C(NCCSCc1ccco1)c1cccnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967181 722073707 /nfs/dbraw/zinc/07/37/07/722073707.db2.gz MOLSYBWBZAYPEG-BGYRXZFFSA-N 1 0 442.585 2.637 20 0 IFADRO CS(=O)(=O)N1C[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]2c2ccccc21 ZINC001164973993 722090329 /nfs/dbraw/zinc/09/03/29/722090329.db2.gz LXRGHEVPWQNQML-ICSRJNTNSA-N 1 0 442.585 2.556 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164979505 722093739 /nfs/dbraw/zinc/09/37/39/722093739.db2.gz KMJBLKSJSWBATO-IIZPIQPGSA-N 1 0 438.576 2.528 20 0 IFADRO COC(=O)c1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164983432 722104654 /nfs/dbraw/zinc/10/46/54/722104654.db2.gz QDPCPOQLZFEKCN-DENIHFKCSA-N 1 0 433.512 2.539 20 0 IFADRO CC(C)(C)OC(=O)Nc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164985284 722105650 /nfs/dbraw/zinc/10/56/50/722105650.db2.gz WEUUNYNYBUKNLN-RBUKOAKNSA-N 1 0 440.548 2.946 20 0 IFADRO COc1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c(OC)c1 ZINC001164981900 722123276 /nfs/dbraw/zinc/12/32/76/722123276.db2.gz VKEULJJYHKBDDS-AVRDEDQJSA-N 1 0 435.528 2.769 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH]c-2n1 ZINC001164983370 722130808 /nfs/dbraw/zinc/13/08/08/722130808.db2.gz UQZAFJLUSCOLBN-TZIWHRDSSA-N 1 0 435.528 2.862 20 0 IFADRO FC(F)(COc1cncc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976065 722143979 /nfs/dbraw/zinc/14/39/79/722143979.db2.gz GXZFTFZNUFBKAO-IRXDYDNUSA-N 1 0 439.894 2.720 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(CNC(=O)C(C)C)nnc3C2)nc1 ZINC001164989869 722190445 /nfs/dbraw/zinc/19/04/45/722190445.db2.gz QSVHODOFPRFFAG-LJQANCHMSA-N 1 0 425.581 2.903 20 0 IFADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(N4CCOCC4)nc4c2CCN4)C3)c1 ZINC001164993692 722196723 /nfs/dbraw/zinc/19/67/23/722196723.db2.gz HSTTTZBVVWTWCO-XMMPIXPASA-N 1 0 438.551 2.665 20 0 IFADRO C[NH+]1CCN(c2ccc(N3CCC4(CC3)C(=O)N(CC3CC3)[C@H]4c3ccccc3)nn2)CC1 ZINC001164998332 722221178 /nfs/dbraw/zinc/22/11/78/722221178.db2.gz INVDEUOAOLSOQO-DEOSSOPVSA-N 1 0 446.599 2.809 20 0 IFADRO CC(=O)NCc1ncn2c1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CCC2 ZINC001165000503 722227809 /nfs/dbraw/zinc/22/78/09/722227809.db2.gz SVALFNHGHHMLOQ-UHFFFAOYSA-N 1 0 430.556 2.883 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nnc(Cl)cc1-c1ccncc1)CCC2 ZINC001165000854 722251566 /nfs/dbraw/zinc/25/15/66/722251566.db2.gz VLLWHRBQMZTOLR-UHFFFAOYSA-N 1 0 427.940 2.877 20 0 IFADRO COc1ccc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(Cl)n1 ZINC001165000830 722253350 /nfs/dbraw/zinc/25/33/50/722253350.db2.gz UZSJFPIRIBCMTC-UHFFFAOYSA-N 1 0 429.899 2.974 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CCC2 ZINC001165004682 722257190 /nfs/dbraw/zinc/25/71/90/722257190.db2.gz USZMTXYPSKPHRU-UHFFFAOYSA-N 1 0 439.898 2.841 20 0 IFADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C[C@@H]3CCO)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164392376 718811246 /nfs/dbraw/zinc/81/12/46/718811246.db2.gz MDNUNDGTOFLCOI-MOPGFXCFSA-N 1 0 444.620 2.869 20 0 IFADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164423501 718914290 /nfs/dbraw/zinc/91/42/90/718914290.db2.gz HRCADNHUSWWEQG-QGZVFWFLSA-N 1 0 449.285 2.947 20 0 IFADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425561 718918499 /nfs/dbraw/zinc/91/84/99/718918499.db2.gz SZLQPLJJCIKNQH-KRWDZBQOSA-N 1 0 430.908 2.989 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164435042 718969092 /nfs/dbraw/zinc/96/90/92/718969092.db2.gz YAUSKUOZXZKMOG-KBPBESRZSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164432304 718970127 /nfs/dbraw/zinc/97/01/27/718970127.db2.gz FZSZHESYDNPWJD-LSDHHAIUSA-N 1 0 442.816 2.813 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164619874 719010718 /nfs/dbraw/zinc/01/07/18/719010718.db2.gz XHZIXQLKGSBCJA-AUUYWEPGSA-N 1 0 444.910 2.747 20 0 IFADRO CCOC(=O)c1cnc(SC)nc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164615975 719021618 /nfs/dbraw/zinc/02/16/18/719021618.db2.gz KGCILIXXWISSBR-UHFFFAOYSA-N 1 0 436.578 2.619 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3C(=O)N3CCCCC3)CC2)CC1 ZINC001164614412 719022234 /nfs/dbraw/zinc/02/22/34/719022234.db2.gz SHLGFWMVVSUEIH-UHFFFAOYSA-N 1 0 428.577 2.952 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc4nc(C(=O)OC)cc-4c(OC)[nH]3)CC2)CC1 ZINC001164613932 719026085 /nfs/dbraw/zinc/02/60/85/719026085.db2.gz KCYMZEJMGOWPDE-UHFFFAOYSA-N 1 0 444.532 2.602 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC2)CC1 ZINC001164618681 719031982 /nfs/dbraw/zinc/03/19/82/719031982.db2.gz YGEBIVCWYPNIQH-UHFFFAOYSA-N 1 0 442.898 2.747 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)COc3cncc(Cl)n3)CC2)CC1 ZINC001164618605 719032813 /nfs/dbraw/zinc/03/28/13/719032813.db2.gz VMOQWXFBUAHKKA-UHFFFAOYSA-N 1 0 432.899 2.841 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)nc(C(=O)OC)nc3Cl)CC2)CC1 ZINC001164617996 719035198 /nfs/dbraw/zinc/03/51/98/719035198.db2.gz QNJIYDQLCOCVOD-UHFFFAOYSA-N 1 0 445.347 2.814 20 0 IFADRO C(c1nc2sc3c(c2c(N2CCC(C4C[NH2+]C4)CC2)n1)CCCC3)N1CCOCC1 ZINC001164615222 719037048 /nfs/dbraw/zinc/03/70/48/719037048.db2.gz LUZOXUKUJGHSHP-UHFFFAOYSA-N 1 0 427.618 2.838 20 0 IFADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1 ZINC001164622635 719046919 /nfs/dbraw/zinc/04/69/19/719046919.db2.gz LAOAKLXIDHHGPP-WMZOPIPTSA-N 1 0 442.919 2.511 20 0 IFADRO CCOC(=O)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1C(=O)OCC ZINC001164621788 719067742 /nfs/dbraw/zinc/06/77/42/719067742.db2.gz HPKRHWDAKMJYFT-QUCCMNQESA-N 1 0 438.528 2.931 20 0 IFADRO O=S(=O)(c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1)N1CCCC1 ZINC001164626877 719097628 /nfs/dbraw/zinc/09/76/28/719097628.db2.gz JMRLXVQRMRFMOX-IRLDBZIGSA-N 1 0 426.586 2.967 20 0 IFADRO O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(c3ncccc3C[NH+]3CCCC3)C2)C1 ZINC001164653536 719322423 /nfs/dbraw/zinc/32/24/23/719322423.db2.gz NQQFZKUQMLCTIO-DEOSSOPVSA-N 1 0 437.519 2.858 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(COCC(=O)N(C)C)c3C2)nc1 ZINC001164661612 719341496 /nfs/dbraw/zinc/34/14/96/719341496.db2.gz LTNCPGJIMUCNKF-HXUWFJFHSA-N 1 0 427.549 2.784 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5OCC[N@H+](C)[C@H]5C4)c23)C1 ZINC001164669443 719442856 /nfs/dbraw/zinc/44/28/56/719442856.db2.gz MBZWQXVATJJQEQ-NJAFHUGGSA-N 1 0 427.618 2.931 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5[C@H](C4)OCC[N@@H+]5C)c23)C1 ZINC001164669445 719443902 /nfs/dbraw/zinc/44/39/02/719443902.db2.gz MBZWQXVATJJQEQ-NXHRZFHOSA-N 1 0 427.618 2.931 20 0 IFADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681139 719631721 /nfs/dbraw/zinc/63/17/21/719631721.db2.gz BNODQOIRVVKGLM-UHFFFAOYSA-N 1 0 442.564 2.524 20 0 IFADRO CN(C)c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164680206 719656451 /nfs/dbraw/zinc/65/64/51/719656451.db2.gz DEWIQYQGAGXWJK-LJQANCHMSA-N 1 0 436.604 2.636 20 0 IFADRO COc1cc(C)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686924 719666541 /nfs/dbraw/zinc/66/65/41/719666541.db2.gz ZBMIVEVNTOIIBG-LJQANCHMSA-N 1 0 437.588 2.887 20 0 IFADRO CCOc1nccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680770 719670517 /nfs/dbraw/zinc/67/05/17/719670517.db2.gz HLTSYVUWQQJDAS-LJQANCHMSA-N 1 0 437.588 2.969 20 0 IFADRO CCOc1cc2ncnc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)c2cc1OCC ZINC001164685522 719720198 /nfs/dbraw/zinc/72/01/98/719720198.db2.gz LWAKJNCHCXZVAK-UHFFFAOYSA-N 1 0 427.549 2.608 20 0 IFADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@H]5OCCN(c6ncccn6)[C@@H]5C4)ccc3C2)cc1 ZINC001164694806 719797330 /nfs/dbraw/zinc/79/73/30/719797330.db2.gz HOJRIMQFEUSCEO-DHIUTWEWSA-N 1 0 428.540 2.524 20 0 IFADRO O=C1COC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)CN1c1ccccc1 ZINC001164697352 719836510 /nfs/dbraw/zinc/83/65/10/719836510.db2.gz WSQBVTNHNKNVMZ-UHFFFAOYSA-N 1 0 436.556 2.959 20 0 IFADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(CN5CCOCC5)cn4)CC3)C2)c1 ZINC001164694746 719887414 /nfs/dbraw/zinc/88/74/14/719887414.db2.gz DWXUTKLHLRLUPY-UHFFFAOYSA-N 1 0 428.602 2.847 20 0 IFADRO COC(OC)c1c(CO)ccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696162 719895978 /nfs/dbraw/zinc/89/59/78/719895978.db2.gz AAKMKCHDZOXIKH-UHFFFAOYSA-N 1 0 433.574 2.798 20 0 IFADRO COC(=O)CSc1cncc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164705518 719899159 /nfs/dbraw/zinc/89/91/59/719899159.db2.gz CTMFUUWENOOMSE-UHFFFAOYSA-N 1 0 434.587 2.675 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(F)cc1C(=O)OC)CC2 ZINC001164710257 720097151 /nfs/dbraw/zinc/09/71/51/720097151.db2.gz ICGFSUHDORIFBU-IBGZPJMESA-N 1 0 428.508 2.910 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC)c(OC)n1)CC2 ZINC001164710263 720101456 /nfs/dbraw/zinc/10/14/56/720101456.db2.gz IDFAETGKZNXKMB-IBGZPJMESA-N 1 0 440.544 2.779 20 0 IFADRO CCOC(=O)c1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164712634 720103368 /nfs/dbraw/zinc/10/33/68/720103368.db2.gz XJHLXWDMLRWRRJ-LJQANCHMSA-N 1 0 425.533 2.556 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3nc(C(=O)OC)cc-3c(OC)[nH]1)C2 ZINC001164813787 720112433 /nfs/dbraw/zinc/11/24/33/720112433.db2.gz QNSKNHHPOWBFEV-QMHKHESXSA-N 1 0 428.533 2.543 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)nc1C(=O)OC)CC2 ZINC001164719669 720120291 /nfs/dbraw/zinc/12/02/91/720120291.db2.gz ZUGUAMAGRZHRAD-QGZVFWFLSA-N 1 0 445.951 2.819 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3c1CNC3=O)CC2 ZINC001164719661 720126129 /nfs/dbraw/zinc/12/61/29/720126129.db2.gz ZTTUGYHBWOXYDU-QGZVFWFLSA-N 1 0 441.963 2.881 20 0 IFADRO CNC(=O)c1nc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ccc1Cl ZINC001164715525 720126581 /nfs/dbraw/zinc/12/65/81/720126581.db2.gz GYJKRLPHEQAPNU-SFHVURJKSA-N 1 0 443.979 2.997 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)C2 ZINC001164816322 720156856 /nfs/dbraw/zinc/15/68/56/720156856.db2.gz KWYLWQRBTWMBRN-LIRRHRJNSA-N 1 0 428.911 2.564 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1ccc(Cl)nc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711409 720163837 /nfs/dbraw/zinc/16/38/37/720163837.db2.gz BMZITOPMLJQQFP-MRXNPFEDSA-N 1 0 426.899 2.625 20 0 IFADRO Cc1sc2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1C ZINC001164714617 720170929 /nfs/dbraw/zinc/17/09/29/720170929.db2.gz QRWVXCKURAFRTD-QGZVFWFLSA-N 1 0 427.578 2.653 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1ccc(F)c(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715719 720170972 /nfs/dbraw/zinc/17/09/72/720170972.db2.gz WFVZTCMKQKWCHX-HNNXBMFYSA-N 1 0 444.889 2.764 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)C2 ZINC001164818690 720172212 /nfs/dbraw/zinc/17/22/12/720172212.db2.gz UCWLOWDSKPCBJU-ACJLOTCBSA-N 1 0 426.899 2.688 20 0 IFADRO Cn1nnc2c1CCN(c1cnc3cc(Cl)ccc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716595 720177327 /nfs/dbraw/zinc/17/73/27/720177327.db2.gz INNZIGWSGILHFW-IBGZPJMESA-N 1 0 427.940 2.628 20 0 IFADRO Cc1cccc2nc(Cl)nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164715633 720191759 /nfs/dbraw/zinc/19/17/59/720191759.db2.gz LJMCBZXGWPULOT-SFHVURJKSA-N 1 0 441.967 2.936 20 0 IFADRO Cn1nnc2c1CCN(c1nc(Cl)cc(C(C)(C)C)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717115 720193124 /nfs/dbraw/zinc/19/31/24/720193124.db2.gz SHVHEZIIWDQOOB-INIZCTEOSA-N 1 0 433.988 2.772 20 0 IFADRO Cc1c[nH]c2nc(Cl)cc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164715765 720194886 /nfs/dbraw/zinc/19/48/86/720194886.db2.gz NDWOYTXUAVXTRV-KRWDZBQOSA-N 1 0 429.956 2.869 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)C2 ZINC001164810942 720195531 /nfs/dbraw/zinc/19/55/31/720195531.db2.gz FSVCGYDYHJCNFW-DNVCBOLYSA-N 1 0 429.943 2.926 20 0 IFADRO Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(-c2ccsc2)n1 ZINC001164717179 720199897 /nfs/dbraw/zinc/19/98/97/720199897.db2.gz UIIXTUNCIIEOKE-LJQANCHMSA-N 1 0 439.589 2.858 20 0 IFADRO CCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1C(=O)OCC ZINC001164812136 720202958 /nfs/dbraw/zinc/20/29/58/720202958.db2.gz KXLSXGGKTAHFDF-MHECFPHRSA-N 1 0 445.560 2.620 20 0 IFADRO Cn1nnc2c1CCN(c1ncc(F)c(-c3ccsc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717290 720204567 /nfs/dbraw/zinc/20/45/67/720204567.db2.gz ICSQTTXWNWSUNX-GOSISDBHSA-N 1 0 443.552 2.689 20 0 IFADRO Cn1nnc2c1CCN(c1nc(C3CCC3)nc3[nH]ccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716765 720206879 /nfs/dbraw/zinc/20/68/79/720206879.db2.gz DVQZOLKUHGVJHS-IBGZPJMESA-N 1 0 436.564 2.570 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)N1CCCCC1)CCC2 ZINC001164813523 720210962 /nfs/dbraw/zinc/21/09/62/720210962.db2.gz QSYSGVZELSRMCT-UHFFFAOYSA-N 1 0 438.576 2.515 20 0 IFADRO COC(=O)c1ccc2nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)ccc2c1 ZINC001164812656 720221037 /nfs/dbraw/zinc/22/10/37/720221037.db2.gz HYAFLXWKUOFTKY-UHFFFAOYSA-N 1 0 435.528 2.829 20 0 IFADRO CSc1nc2ncnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2s1 ZINC001164812362 720230967 /nfs/dbraw/zinc/23/09/67/720230967.db2.gz GKXFGBPDFKXUNY-UHFFFAOYSA-N 1 0 431.591 2.615 20 0 IFADRO COc1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nn2)cc1 ZINC001164812631 720237510 /nfs/dbraw/zinc/23/75/10/720237510.db2.gz HFDRLIITWKOBRJ-UHFFFAOYSA-N 1 0 434.544 2.959 20 0 IFADRO CCCSc1ncnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1OC ZINC001164818566 720245344 /nfs/dbraw/zinc/24/53/44/720245344.db2.gz ZLUIUMXBSKPYOJ-UHFFFAOYSA-N 1 0 432.594 2.795 20 0 IFADRO CNC(=O)CN1CCOC[C@@]2(CCCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164719427 720260715 /nfs/dbraw/zinc/26/07/15/720260715.db2.gz NGQQLFWOJMQBQV-SANMLTNESA-N 1 0 447.583 2.749 20 0 IFADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164819809 720285963 /nfs/dbraw/zinc/28/59/63/720285963.db2.gz SGEKDZXWEWYYGR-ROUUACIJSA-N 1 0 434.968 2.823 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827405 720293184 /nfs/dbraw/zinc/29/31/84/720293184.db2.gz XOXQWNHTZFTDAN-CVEARBPZSA-N 1 0 427.927 2.895 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164822094 720312469 /nfs/dbraw/zinc/31/24/69/720312469.db2.gz MPYDVUCXRBZKSQ-VXKWHMMOSA-N 1 0 436.556 2.933 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c1 ZINC001164821574 720313231 /nfs/dbraw/zinc/31/32/31/720313231.db2.gz KUBNBXVRCJKGMO-FGZHOGPDSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(OCc3ccccc3)n2)CC1 ZINC001164831358 720317979 /nfs/dbraw/zinc/31/79/79/720317979.db2.gz RMCVOPWHBUALGQ-YADHBBJMSA-N 1 0 435.572 2.967 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C(=O)NC(C)(C)C)cn2)CC1 ZINC001164823305 720318994 /nfs/dbraw/zinc/31/89/94/720318994.db2.gz AKNRRGYBNXZOJC-PMACEKPBSA-N 1 0 427.593 2.521 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164833910 720322492 /nfs/dbraw/zinc/32/24/92/720322492.db2.gz XYDDWOHOURBWJI-HUUCEWRRSA-N 1 0 434.997 2.960 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(OCc3ccccc3)cnn2)CC1 ZINC001164826250 720324702 /nfs/dbraw/zinc/32/47/02/720324702.db2.gz FZXYLBOCXCYMGR-DHIUTWEWSA-N 1 0 435.572 2.967 20 0 IFADRO CSc1nc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2s1 ZINC001164823897 720329467 /nfs/dbraw/zinc/32/94/67/720329467.db2.gz BPNPHZPBHGWHCI-HUUCEWRRSA-N 1 0 432.619 2.720 20 0 IFADRO CCOC(=O)c1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164833386 720332462 /nfs/dbraw/zinc/33/24/62/720332462.db2.gz WLAWEEMKSIVDQH-MSOLQXFVSA-N 1 0 434.968 2.823 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3cccnc3)nc3c2CCC3)CC1 ZINC001164825215 720347317 /nfs/dbraw/zinc/34/73/17/720347317.db2.gz IXORGHSHWJJCNR-XZOQPEGZSA-N 1 0 446.599 2.939 20 0 IFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(CN(C)C(C)=O)nnc3C2)nc1 ZINC001164823646 720415013 /nfs/dbraw/zinc/41/50/13/720415013.db2.gz IPJVNTSJJAHBAT-FQEVSTJZSA-N 1 0 425.581 2.999 20 0 IFADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840752 720508463 /nfs/dbraw/zinc/50/84/63/720508463.db2.gz XJZATELEEBREJY-ZHALLVOQSA-N 1 0 444.605 2.950 20 0 IFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc3c(Cl)nc(Cl)nc32)C1 ZINC001164731220 720509734 /nfs/dbraw/zinc/50/97/34/720509734.db2.gz OFVXALPHSWKQLF-SECBINFHSA-N 1 0 427.727 2.775 20 0 IFADRO COC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164832958 720516810 /nfs/dbraw/zinc/51/68/10/720516810.db2.gz CDTNGGPVBAKVLE-NNMXDRDESA-N 1 0 434.544 2.991 20 0 IFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834703 720517271 /nfs/dbraw/zinc/51/72/71/720517271.db2.gz HENWJWFNANNYGS-WOIUINJBSA-N 1 0 434.544 2.991 20 0 IFADRO CCOC(=O)c1cc(Cl)nnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837190 720521787 /nfs/dbraw/zinc/52/17/87/720521787.db2.gz OJQNFXDSVMJJJU-JFIYKMOQSA-N 1 0 432.956 2.881 20 0 IFADRO COc1ccc(-c2ccc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nn2)c(OC)c1OC ZINC001164732073 720530680 /nfs/dbraw/zinc/53/06/80/720530680.db2.gz BXMFQOUJKWYRBR-MRXNPFEDSA-N 1 0 438.532 2.564 20 0 IFADRO CCOC(Cc1c(Cl)ncnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1)OCC ZINC001164727086 720565697 /nfs/dbraw/zinc/56/56/97/720565697.db2.gz BBYGLYGUQVOTNY-UHFFFAOYSA-N 1 0 448.999 2.927 20 0 IFADRO CCOC(=O)c1cc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2s1 ZINC001164728079 720573717 /nfs/dbraw/zinc/57/37/17/720573717.db2.gz IXYRDZBHNFSROQ-UHFFFAOYSA-N 1 0 426.546 2.723 20 0 IFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736507 720582013 /nfs/dbraw/zinc/58/20/13/720582013.db2.gz MOMBYOAUKGYJGS-UHFFFAOYSA-N 1 0 439.894 2.922 20 0 IFADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838306 720583683 /nfs/dbraw/zinc/58/36/83/720583683.db2.gz KPVJCTZYCHEIOH-SVFBPWRDSA-N 1 0 426.565 2.598 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(Cn4ccccc4=O)cn3)CC[C@@H]21 ZINC001164839794 720612453 /nfs/dbraw/zinc/61/24/53/720612453.db2.gz OPBYVWLIHWIFCP-VJBWXMMDSA-N 1 0 432.572 2.866 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3CN(C)CC4)CC[C@@H]21 ZINC001164838179 720637953 /nfs/dbraw/zinc/63/79/53/720637953.db2.gz KGLCRTYGYONITN-ZWOKBUDYSA-N 1 0 430.000 2.692 20 0 IFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837627 720667886 /nfs/dbraw/zinc/66/78/86/720667886.db2.gz DONRONAVQGFSFL-SFHVURJKSA-N 1 0 435.528 2.956 20 0 IFADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741461 720674895 /nfs/dbraw/zinc/67/48/95/720674895.db2.gz TXIQNAWGMHJPBA-LSDHHAIUSA-N 1 0 432.862 2.960 20 0 IFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164839333 720716608 /nfs/dbraw/zinc/71/66/08/720716608.db2.gz LAJXHCSCELLICO-NRFANRHFSA-N 1 0 431.540 2.887 20 0 IFADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744391 720721526 /nfs/dbraw/zinc/72/15/26/720721526.db2.gz ZPJCWPKZAHEXSM-HUUCEWRRSA-N 1 0 431.924 2.822 20 0 IFADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164744814 720724151 /nfs/dbraw/zinc/72/41/51/720724151.db2.gz STMGOWHZCFJBOR-GOEBONIOSA-N 1 0 443.870 2.588 20 0 IFADRO CNC(=O)c1cc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840312 720727669 /nfs/dbraw/zinc/72/76/69/720727669.db2.gz OZVAIZJWQRBONB-KRWDZBQOSA-N 1 0 429.952 2.750 20 0 IFADRO COC(=O)c1ncnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164836207 720729200 /nfs/dbraw/zinc/72/92/00/720729200.db2.gz CDKGQYWVFKWTTI-SFHVURJKSA-N 1 0 426.517 2.532 20 0 IFADRO COC(=O)c1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2C)cc1 ZINC001164738124 720749087 /nfs/dbraw/zinc/74/90/87/720749087.db2.gz DTXVIDFZXQYXKI-LEWJYISDSA-N 1 0 445.523 2.976 20 0 IFADRO c1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)nc1 ZINC001164737157 720760155 /nfs/dbraw/zinc/76/01/55/720760155.db2.gz AEWBCZKMNZMIOG-ZWKOTPCHSA-N 1 0 425.496 2.824 20 0 IFADRO O=C(NC1CCCC1)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164746785 720769320 /nfs/dbraw/zinc/76/93/20/720769320.db2.gz YMPDBCROAHYFBP-MSOLQXFVSA-N 1 0 442.951 2.539 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743535 720812156 /nfs/dbraw/zinc/81/21/56/720812156.db2.gz GOKMUZKLVZQEPD-YESZJQIVSA-N 1 0 437.926 2.954 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743533 720812345 /nfs/dbraw/zinc/81/23/45/720812345.db2.gz GOKMUZKLVZQEPD-IXDOHACOSA-N 1 0 437.926 2.954 20 0 IFADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747921 720812812 /nfs/dbraw/zinc/81/28/12/720812812.db2.gz PSGXUYGCKVMKJR-LELNOUPNSA-N 1 0 436.560 2.629 20 0 IFADRO O=C([C@@H]1CC[C@H]2[C@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1)N1CCCO1 ZINC001164848818 720818911 /nfs/dbraw/zinc/81/89/11/720818911.db2.gz NIFKANVLWQGPRD-HJOGWXRNSA-N 1 0 448.567 2.930 20 0 IFADRO Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)SCC2 ZINC001164741289 720822872 /nfs/dbraw/zinc/82/28/72/720822872.db2.gz NEAPPJLIDJWXRL-YQQAZPJKSA-N 1 0 431.997 2.749 20 0 IFADRO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2c1CCCC2 ZINC001164745133 720825468 /nfs/dbraw/zinc/82/54/68/720825468.db2.gz WNHFPNIBKKRITE-SQGPQFPESA-N 1 0 427.984 2.980 20 0 IFADRO Nc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164750306 720834140 /nfs/dbraw/zinc/83/41/40/720834140.db2.gz XFPZGPXVCBZVIJ-USXIJHARSA-N 1 0 437.926 2.833 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750252 720837881 /nfs/dbraw/zinc/83/78/81/720837881.db2.gz WXAPPCIMDOSBQR-CSODHUTKSA-N 1 0 437.523 2.748 20 0 IFADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748359 720841143 /nfs/dbraw/zinc/84/11/43/720841143.db2.gz UKQRHMJULAMOEU-LEGWXMGDSA-N 1 0 436.560 2.547 20 0 IFADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccncc2)n1 ZINC001164751814 720845197 /nfs/dbraw/zinc/84/51/97/720845197.db2.gz YVCHFAUZUVDTBS-BHDDXSALSA-N 1 0 430.560 2.818 20 0 IFADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164857898 720849600 /nfs/dbraw/zinc/84/96/00/720849600.db2.gz YXDIWGQMDGWBPP-SJLPKXTDSA-N 1 0 446.573 2.555 20 0 IFADRO Clc1nc2c(nc1N1CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)CCCC2 ZINC001164745521 720859732 /nfs/dbraw/zinc/85/97/32/720859732.db2.gz DVVYWCFCISHSOY-FUHIMQAGSA-N 1 0 427.984 2.980 20 0 IFADRO Clc1nc2c(nc1N1CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)CCCC2 ZINC001164745523 720859858 /nfs/dbraw/zinc/85/98/58/720859858.db2.gz DVVYWCFCISHSOY-MBOZVWFJSA-N 1 0 427.984 2.980 20 0 IFADRO COc1cc(C)c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164752753 720861693 /nfs/dbraw/zinc/86/16/93/720861693.db2.gz UNKNRVMKOJTAOJ-XQBPLPMBSA-N 1 0 433.560 2.918 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C(=O)NC4CCCC4)cc3Cl)CC[C@@H]2C1 ZINC001164855822 720878632 /nfs/dbraw/zinc/87/86/32/720878632.db2.gz HZCXMLQGXZYRRF-OXQOHEQNSA-N 1 0 436.984 2.581 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)Oc3ccc(Cl)nc3Cl)CC[C@@H]2C1 ZINC001164855310 720888104 /nfs/dbraw/zinc/88/81/04/720888104.db2.gz GRLTYDFNIBGDMI-TZMCWYRMSA-N 1 0 426.291 2.987 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)CC[C@H]2C1 ZINC001164853871 720889390 /nfs/dbraw/zinc/88/93/90/720889390.db2.gz DHMVUUOJPJMSKY-JSGCOSHPSA-N 1 0 426.291 2.987 20 0 IFADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ncc4c(n2)CCCN4)C3)c1 ZINC001164749601 720889884 /nfs/dbraw/zinc/88/98/84/720889884.db2.gz AJILBQRZWSXOJA-BWKNWUBXSA-N 1 0 434.588 2.985 20 0 IFADRO c1cn(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cn1 ZINC001164749931 720897474 /nfs/dbraw/zinc/89/74/74/720897474.db2.gz BAFZUOYDGWKTCC-DHLKQENFSA-N 1 0 445.571 2.812 20 0 IFADRO CNC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758500 720898009 /nfs/dbraw/zinc/89/80/09/720898009.db2.gz YRWJFWASGKLTBY-OFVILXPXSA-N 1 0 435.572 2.591 20 0 IFADRO CNC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753412 720898607 /nfs/dbraw/zinc/89/86/07/720898607.db2.gz GUJOVIIRGGFAPT-DHLKQENFSA-N 1 0 435.572 2.591 20 0 IFADRO CNC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753415 720898656 /nfs/dbraw/zinc/89/86/56/720898656.db2.gz GUJOVIIRGGFAPT-RCZVLFRGSA-N 1 0 435.572 2.591 20 0 IFADRO Cc1ccc(C(N)=O)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164749772 720908327 /nfs/dbraw/zinc/90/83/27/720908327.db2.gz ILNOEZYGGIMLFJ-OFVILXPXSA-N 1 0 435.572 2.639 20 0 IFADRO CCn1cnc2c1ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753640 720913150 /nfs/dbraw/zinc/91/31/50/720913150.db2.gz RUEZXPGVICBIGD-OFVILXPXSA-N 1 0 447.587 2.996 20 0 IFADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc4c(nn2)CCOC4)C3)c1 ZINC001164750177 720928882 /nfs/dbraw/zinc/92/88/82/720928882.db2.gz JOZBUYCOPKFQEB-RDGATRHJSA-N 1 0 435.572 2.699 20 0 IFADRO Cc1cc(C(N)=O)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752328 720935027 /nfs/dbraw/zinc/93/50/27/720935027.db2.gz NWYHGNYTWZDUEJ-RCZVLFRGSA-N 1 0 435.572 2.639 20 0 IFADRO C[C@@H]1CCc2c(sc3ncnc(N4CCc5onc(C(=O)NCC[NH+](C)C)c5C4)c23)C1 ZINC001164749418 720953595 /nfs/dbraw/zinc/95/35/95/720953595.db2.gz DSYNGUBUHIBRKQ-CYBMUJFWSA-N 1 0 440.573 2.658 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nnc(Cl)c3ccc(Cl)cc31)CC2 ZINC001164754897 720966330 /nfs/dbraw/zinc/96/63/30/720966330.db2.gz ZDBHTVAUSKXKIF-UHFFFAOYSA-N 1 0 435.315 2.779 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164754106 720967292 /nfs/dbraw/zinc/96/72/92/720967292.db2.gz KYHYJYXXYSWEOW-UHFFFAOYSA-N 1 0 449.540 2.595 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164754859 720968415 /nfs/dbraw/zinc/96/84/15/720968415.db2.gz YQOMBXGAJDWZKQ-UHFFFAOYSA-N 1 0 442.907 2.764 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)[C@@H]2C ZINC001164859691 721006226 /nfs/dbraw/zinc/00/62/26/721006226.db2.gz LJKNTLXNUQJBGA-MRXNPFEDSA-N 1 0 446.983 2.825 20 0 IFADRO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@H]21 ZINC001164758005 721023652 /nfs/dbraw/zinc/02/36/52/721023652.db2.gz HLULYRRMUWVDCD-XPWALMASSA-N 1 0 435.572 2.620 20 0 IFADRO O=C(NCc1ccccc1)c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868154 721054515 /nfs/dbraw/zinc/05/45/15/721054515.db2.gz NDUCHYMPJHXNIP-XZOQPEGZSA-N 1 0 443.551 2.886 20 0 IFADRO CC(C)(C)OC(=O)Nc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164871508 721060844 /nfs/dbraw/zinc/06/08/44/721060844.db2.gz ZJEXUFXDUFEWNJ-ZWKOTPCHSA-N 1 0 426.521 2.698 20 0 IFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1OCC ZINC001164866669 721084979 /nfs/dbraw/zinc/08/49/79/721084979.db2.gz UQEWUENZAJKDGD-RTBURBONSA-N 1 0 426.517 2.532 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)C[C@@H]3C2)cn1 ZINC001164761512 721087072 /nfs/dbraw/zinc/08/70/72/721087072.db2.gz BLOMKRMPYYNZOE-PKTZIBPZSA-N 1 0 443.599 2.727 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)C[C@H]3C2)cn1 ZINC001164761514 721087901 /nfs/dbraw/zinc/08/79/01/721087901.db2.gz BLOMKRMPYYNZOE-XZOQPEGZSA-N 1 0 443.599 2.727 20 0 IFADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1Cl ZINC001164769477 721098257 /nfs/dbraw/zinc/09/82/57/721098257.db2.gz ORNISCUMFJDIMQ-CABCVRRESA-N 1 0 439.894 2.758 20 0 IFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764892 721111391 /nfs/dbraw/zinc/11/13/91/721111391.db2.gz ILCFCHSDVLTASQ-LSDHHAIUSA-N 1 0 439.894 2.758 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865805 721118230 /nfs/dbraw/zinc/11/82/30/721118230.db2.gz PQDXWWCRHGLDQV-SJORKVTESA-N 1 0 427.940 2.935 20 0 IFADRO COC(=O)c1ccc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164764189 721123089 /nfs/dbraw/zinc/12/30/89/721123089.db2.gz HHQKPBBKOVOAKC-HUUCEWRRSA-N 1 0 439.894 2.758 20 0 IFADRO COc1nc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879897 721130450 /nfs/dbraw/zinc/13/04/50/721130450.db2.gz VBQYGHHGHYMJOW-LSDHHAIUSA-N 1 0 425.867 2.558 20 0 IFADRO COc1cc2nc(Cl)c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2cc1OC ZINC001164765189 721138091 /nfs/dbraw/zinc/13/80/91/721138091.db2.gz JEEAGNAZVNSPNA-HZPDHXFCSA-N 1 0 442.951 2.992 20 0 IFADRO CC1CCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2)CC1 ZINC001164871026 721142275 /nfs/dbraw/zinc/14/22/75/721142275.db2.gz CZIGRZBODUWEQL-GOTSBHOMSA-N 1 0 435.572 2.828 20 0 IFADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762778 721148338 /nfs/dbraw/zinc/14/83/38/721148338.db2.gz DOUFTELZKDTXOQ-ZIAGYGMSSA-N 1 0 439.347 2.652 20 0 IFADRO COc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(Cl)n1 ZINC001164868455 721190031 /nfs/dbraw/zinc/19/00/31/721190031.db2.gz MWOCDUIJJYXVKI-LSDHHAIUSA-N 1 0 425.867 2.558 20 0 IFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164772350 721195209 /nfs/dbraw/zinc/19/52/09/721195209.db2.gz SRDJXAITMSSVKJ-CABCVRRESA-N 1 0 439.894 2.758 20 0 IFADRO COc1ccc(OC)c(-c2ccc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)c1 ZINC001164765762 721217926 /nfs/dbraw/zinc/21/79/26/721217926.db2.gz IFOJMDFGJJXDBA-RTBURBONSA-N 1 0 434.544 2.853 20 0 IFADRO COc1ccc(CN(C)c2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164767951 721231559 /nfs/dbraw/zinc/23/15/59/721231559.db2.gz XGTFQMQPEYNYGD-FCHUYYIVSA-N 1 0 447.587 2.813 20 0 IFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@H]2OCCN(c3cnccn3)[C@H]2C1 ZINC001164767010 721267627 /nfs/dbraw/zinc/26/76/27/721267627.db2.gz PWJWSCAMELHBLO-ZWKOTPCHSA-N 1 0 448.905 2.541 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)ncc3-c3ccccc3)CC2)C1 ZINC001164870242 721274360 /nfs/dbraw/zinc/27/43/60/721274360.db2.gz UTZFYQBOSMMOSJ-UHFFFAOYSA-N 1 0 443.979 2.804 20 0 IFADRO c1ncn2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@H](COc1cccnc1)C2 ZINC001164770694 721275689 /nfs/dbraw/zinc/27/56/89/721275689.db2.gz WZFWSGRHIYFLDP-FQEVSTJZSA-N 1 0 434.544 2.863 20 0 IFADRO Cc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1Cl ZINC001164875629 721275743 /nfs/dbraw/zinc/27/57/43/721275743.db2.gz YBLDDNDRDARUIX-UHFFFAOYSA-N 1 0 430.927 2.595 20 0 IFADRO Cc1cc2nc(Cl)c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc2cc1C ZINC001164875342 721278341 /nfs/dbraw/zinc/27/83/41/721278341.db2.gz VOBTXLRPNPZWTR-UHFFFAOYSA-N 1 0 445.995 2.907 20 0 IFADRO COCCOc1cc2ncnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2cc1OCCOC ZINC001164770627 721283013 /nfs/dbraw/zinc/28/30/13/721283013.db2.gz VCFLBJKOPIBABX-UHFFFAOYSA-N 1 0 442.560 2.602 20 0 IFADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164771219 721296222 /nfs/dbraw/zinc/29/62/22/721296222.db2.gz YPAIYIJTKNIIND-QFIPXVFZSA-N 1 0 448.974 2.915 20 0 IFADRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164776892 721324479 /nfs/dbraw/zinc/32/44/79/721324479.db2.gz FZWPWUZSNZIJAI-UHFFFAOYSA-N 1 0 446.555 2.863 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4nc[nH]c43)C2)C1 ZINC001164778609 721333545 /nfs/dbraw/zinc/33/35/45/721333545.db2.gz XTHZYNKWUAQMFJ-FQEVSTJZSA-N 1 0 431.928 2.730 20 0 IFADRO CNC(=O)c1nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ccc1Cl ZINC001164785310 721355591 /nfs/dbraw/zinc/35/55/91/721355591.db2.gz UJERHXAMFYVJQY-QFIPXVFZSA-N 1 0 447.967 2.818 20 0 IFADRO CNC(=O)c1nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ccc1Cl ZINC001164785309 721355673 /nfs/dbraw/zinc/35/56/73/721355673.db2.gz UJERHXAMFYVJQY-JOCHJYFZSA-N 1 0 447.967 2.818 20 0 IFADRO CCNC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164781649 721365731 /nfs/dbraw/zinc/36/57/31/721365731.db2.gz KIDVBKCRZARFJU-QHCPKHFHSA-N 1 0 427.549 2.555 20 0 IFADRO CCOC(=O)Cc1ccnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164786159 721375575 /nfs/dbraw/zinc/37/55/75/721375575.db2.gz TZBXYVDMBMBYDY-XMMPIXPASA-N 1 0 442.560 2.911 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CSCC5)C3)O2)CC1 ZINC001164887763 721389885 /nfs/dbraw/zinc/38/98/85/721389885.db2.gz IFLQFISRHDOEPY-IIBYNOLFSA-N 1 0 438.041 2.685 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2[nH]1 ZINC001164889453 721403912 /nfs/dbraw/zinc/40/39/12/721403912.db2.gz QQEGXFVMWKGJDJ-DVECYGJZSA-N 1 0 441.576 2.505 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164886587 721403970 /nfs/dbraw/zinc/40/39/70/721403970.db2.gz KGOTZLAHGLSLGF-BWKNWUBXSA-N 1 0 438.572 2.787 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ccc2c1 ZINC001164883958 721405995 /nfs/dbraw/zinc/40/59/95/721405995.db2.gz CTJQQOCBEBVRNY-OFVILXPXSA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc(OCc5ccccc5)n4)C3)O2)CC1 ZINC001164891109 721410635 /nfs/dbraw/zinc/41/06/35/721410635.db2.gz VFXHNXNPJCWLEU-WIOPSUGQSA-N 1 0 437.588 2.821 20 0 IFADRO CCCN(CCC)c1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164884503 721424190 /nfs/dbraw/zinc/42/41/90/721424190.db2.gz DLGWNXGWFGRRMG-ZJSXRUAMSA-N 1 0 430.641 2.868 20 0 IFADRO CCCN(CCC)c1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164884496 721424560 /nfs/dbraw/zinc/42/45/60/721424560.db2.gz DLGWNXGWFGRRMG-QPPBQGQZSA-N 1 0 430.641 2.868 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc(OCc5ccccc5)cn4)C3)O2)CC1 ZINC001164890777 721426260 /nfs/dbraw/zinc/42/62/60/721426260.db2.gz FOERLMTXVHKEFQ-RCZVLFRGSA-N 1 0 437.588 2.821 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5sc6c(c54)CCC6)C3)O2)CC1 ZINC001164890743 721433291 /nfs/dbraw/zinc/43/32/91/721433291.db2.gz DSSQQSKHLBHDHL-UZUQRXQVSA-N 1 0 427.618 2.945 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5sc6c(c54)CCC6)C3)O2)CC1 ZINC001164890740 721433464 /nfs/dbraw/zinc/43/34/64/721433464.db2.gz DSSQQSKHLBHDHL-GAJHUEQPSA-N 1 0 427.618 2.945 20 0 IFADRO COc1ccccc1-c1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164899805 721438149 /nfs/dbraw/zinc/43/81/49/721438149.db2.gz ZDZZITUNRVGEAX-CPJSRVTESA-N 1 0 437.588 2.918 20 0 IFADRO COc1ccc2nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c(C)nc2c1 ZINC001164894870 721439492 /nfs/dbraw/zinc/43/94/92/721439492.db2.gz MUTMOGXBWDAREY-GBXCKJPGSA-N 1 0 425.577 2.712 20 0 IFADRO Cc1nc(C)c(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)s1 ZINC001164899460 721443941 /nfs/dbraw/zinc/44/39/41/721443941.db2.gz YLUZAETUGXIRHL-CVDCTZTESA-N 1 0 442.633 2.982 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4ncn5-c4ccccc4)C3)O2)CC1 ZINC001164894376 721445192 /nfs/dbraw/zinc/44/51/92/721445192.db2.gz LWYNOWZKXPEZKR-SQJMNOBHSA-N 1 0 447.587 2.581 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164890405 721447778 /nfs/dbraw/zinc/44/77/78/721447778.db2.gz RMPFMSBKDNMNDQ-JTSKRJEESA-N 1 0 436.984 2.595 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890863 721447961 /nfs/dbraw/zinc/44/79/61/721447961.db2.gz SUMQPLFXNVMLSS-MJGOQNOKSA-N 1 0 430.927 2.925 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)cc1C(N)=O)CC2 ZINC001164785967 721452166 /nfs/dbraw/zinc/45/21/66/721452166.db2.gz KKZXDMGHAJMZOB-SFHVURJKSA-N 1 0 436.984 2.568 20 0 IFADRO CCOC(=O)c1cccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164785235 721457318 /nfs/dbraw/zinc/45/73/18/721457318.db2.gz HPAAZGWSPXTWQW-FQEVSTJZSA-N 1 0 431.577 2.992 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(CC(=O)OC)n1)CC2 ZINC001164783641 721458595 /nfs/dbraw/zinc/45/85/95/721458595.db2.gz DZBHSFATHDMDGM-NRFANRHFSA-N 1 0 431.577 2.531 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)nc(SC)n1)CC2 ZINC001164786623 721459628 /nfs/dbraw/zinc/45/96/28/721459628.db2.gz ORBFKQHCCBKYIU-SFHVURJKSA-N 1 0 436.622 2.941 20 0 IFADRO Cc1nc(CN2CC[C@]3(CCCN(c4cccc(N5CC[NH+](C)CC5)n4)C3)C2=O)cs1 ZINC001164887966 721461619 /nfs/dbraw/zinc/46/16/19/721461619.db2.gz LCZVYJQYPDJLEI-QHCPKHFHSA-N 1 0 440.617 2.617 20 0 IFADRO Cc1nc(CN2CC[C@@]3(CCCN(c4cccc(N5CC[NH+](C)CC5)n4)C3)C2=O)cs1 ZINC001164887958 721461705 /nfs/dbraw/zinc/46/17/05/721461705.db2.gz LCZVYJQYPDJLEI-HSZRJFAPSA-N 1 0 440.617 2.617 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3ncnc(Cl)c3n1)CC2 ZINC001164786844 721462855 /nfs/dbraw/zinc/46/28/55/721462855.db2.gz PVDSSJLFNWRQRI-QGZVFWFLSA-N 1 0 446.983 2.807 20 0 IFADRO CCNC(=O)c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164787457 721467044 /nfs/dbraw/zinc/46/70/44/721467044.db2.gz FYBUAORDJKEGTR-NRFANRHFSA-N 1 0 430.593 2.565 20 0 IFADRO CCCNC(=O)c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164787965 721467405 /nfs/dbraw/zinc/46/74/05/721467405.db2.gz HAIGOSUMSZRPFC-QFIPXVFZSA-N 1 0 444.620 2.955 20 0 IFADRO CCCNC(=O)c1cccnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164786325 721467447 /nfs/dbraw/zinc/46/74/47/721467447.db2.gz AULUHCOJYCCHRH-OAQYLSRUSA-N 1 0 444.620 2.955 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164789298 721470645 /nfs/dbraw/zinc/47/06/45/721470645.db2.gz MEFUPZAUXINTPK-XLIONFOSSA-N 1 0 442.963 2.991 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@@H](F)Oc1ccc(Cl)nn1)CC2 ZINC001164790654 721473908 /nfs/dbraw/zinc/47/39/08/721473908.db2.gz TYGKHWOZTIXWJA-FXAWDEMLSA-N 1 0 442.963 2.991 20 0 IFADRO O=C(C[C@@H]1COC[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21)N1CCC(F)CC1 ZINC001164896958 721478806 /nfs/dbraw/zinc/47/88/06/721478806.db2.gz YNDZGZRZJLNAAJ-URVUXULASA-N 1 0 430.568 2.727 20 0 IFADRO O=C(C[C@@H]1COC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21)N1CCC(F)CC1 ZINC001164896957 721478915 /nfs/dbraw/zinc/47/89/15/721478915.db2.gz YNDZGZRZJLNAAJ-SJBKTWHCSA-N 1 0 430.568 2.727 20 0 IFADRO C[N@H+](Cc1ccc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)nc1)C1CC1 ZINC001164894537 721479191 /nfs/dbraw/zinc/47/91/91/721479191.db2.gz NNDFOLAMTDXNPI-WOIUINJBSA-N 1 0 430.568 2.725 20 0 IFADRO Fc1cccnc1OC[C@]12COC[C@@H]1CN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164793226 721487093 /nfs/dbraw/zinc/48/70/93/721487093.db2.gz QEOHHJBPAPGFHB-MBSDFSHPSA-N 1 0 428.508 2.622 20 0 IFADRO CN(C)S(=O)(=O)c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164795728 721499940 /nfs/dbraw/zinc/49/99/40/721499940.db2.gz KZGKFAMENNPWFQ-UHFFFAOYSA-N 1 0 429.590 2.608 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(Cl)nc(Cl)c2)CC3)CC1 ZINC001164797397 721508721 /nfs/dbraw/zinc/50/87/21/721508721.db2.gz ZDWKKKASPAVCRR-UHFFFAOYSA-N 1 0 431.318 2.897 20 0 IFADRO CCOC(=O)c1cnc(SC)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901752 721509995 /nfs/dbraw/zinc/50/99/95/721509995.db2.gz YNWMOXKKIVKQKX-NVXWUHKLSA-N 1 0 432.521 2.856 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc(Cl)c(Cl)n2)CC3)CC1 ZINC001164794032 721512964 /nfs/dbraw/zinc/51/29/64/721512964.db2.gz BVBMCFVAZSYRMN-UHFFFAOYSA-N 1 0 431.318 2.897 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4[nH]c5ccc(Cl)cc5c42)CC3)CC1 ZINC001164796719 721517892 /nfs/dbraw/zinc/51/78/92/721517892.db2.gz AFSMUJSGICMVEV-UHFFFAOYSA-N 1 0 436.951 2.729 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4cccnc4)nc4ccccc42)CC3)CC1 ZINC001164797326 721519027 /nfs/dbraw/zinc/51/90/27/721519027.db2.gz KEZUOXGPWYTIHN-UHFFFAOYSA-N 1 0 440.555 2.656 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(C4CC4)nnc2Cl)CC3)CC1 ZINC001164797799 721519642 /nfs/dbraw/zinc/51/96/42/721519642.db2.gz NQVNACHXWPXNET-UHFFFAOYSA-N 1 0 437.926 2.516 20 0 IFADRO CCN(c1ccccc1)c1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ncn1 ZINC001164795799 721520469 /nfs/dbraw/zinc/52/04/69/721520469.db2.gz SIMYPSNTPZIBED-UHFFFAOYSA-N 1 0 432.576 2.599 20 0 IFADRO CCOC(=O)c1c[nH]c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164896879 721521150 /nfs/dbraw/zinc/52/11/50/721521150.db2.gz BRAZDWILOYOUCC-NVXWUHKLSA-N 1 0 425.464 2.616 20 0 IFADRO CCOC(=O)c1c[nH]c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164896878 721521603 /nfs/dbraw/zinc/52/16/03/721521603.db2.gz BRAZDWILOYOUCC-DOTOQJQBSA-N 1 0 425.464 2.616 20 0 IFADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[N@@H+]5C[C@@H](Oc6cccc(F)c6)C[C@H]5C4)c3)cc21 ZINC001164910349 721530776 /nfs/dbraw/zinc/53/07/76/721530776.db2.gz UKSGGXWVRZMAOD-ICSRJNTNSA-N 1 0 447.514 2.844 20 0 IFADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[N@@H+]5C[C@H](Oc6cccc(F)c6)C[C@H]5C4)c3)cc21 ZINC001164910347 721531162 /nfs/dbraw/zinc/53/11/62/721531162.db2.gz UKSGGXWVRZMAOD-AZUAARDMSA-N 1 0 447.514 2.844 20 0 IFADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)cc-2n1 ZINC001164912386 721532270 /nfs/dbraw/zinc/53/22/70/721532270.db2.gz ZMLAPZJYDHXVIO-NVXWUHKLSA-N 1 0 440.475 2.839 20 0 IFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc4c(cc32)OCCO4)[C@@H]2CCCO[C@H]12 ZINC001164806636 721536838 /nfs/dbraw/zinc/53/68/38/721536838.db2.gz PKFUJWOSIZDSCK-VIZSFHNOSA-N 1 0 433.512 2.664 20 0 IFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)CC[N@@H+]3C2)c1 ZINC001164904720 721554389 /nfs/dbraw/zinc/55/43/89/721554389.db2.gz FKYLQCGEROEHCY-TZMCWYRMSA-N 1 0 438.841 2.984 20 0 IFADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164904313 721554617 /nfs/dbraw/zinc/55/46/17/721554617.db2.gz DWIOGUUXVKSLLR-JSGCOSHPSA-N 1 0 438.841 2.984 20 0 IFADRO O=C(NC1CCCC1)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164909949 721559055 /nfs/dbraw/zinc/55/90/55/721559055.db2.gz VULWGUUPSIBYLR-QUCCMNQESA-N 1 0 425.508 2.630 20 0 IFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)CC[N@@H+]3C2)c1 ZINC001164907523 721566431 /nfs/dbraw/zinc/56/64/31/721566431.db2.gz NZBCIZXCDFBZJH-RYQLBKOJSA-N 1 0 434.899 2.779 20 0 IFADRO Cc1cccc(CN2CCO[C@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@H]3C2=O)n1 ZINC001164802698 721603008 /nfs/dbraw/zinc/60/30/08/721603008.db2.gz SUVSDEHKOJKPOI-PKTZIBPZSA-N 1 0 435.572 2.633 20 0 IFADRO NC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(C2CC2)n1 ZINC001164909077 721738832 /nfs/dbraw/zinc/73/88/32/721738832.db2.gz AVFUOZWTZJAMCA-OAQYLSRUSA-N 1 0 428.487 2.586 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)ccc2C(=O)NC(C)(C)C)CC1 ZINC001165010648 721738993 /nfs/dbraw/zinc/73/89/93/721738993.db2.gz IOASPTQRASNVIX-UHFFFAOYSA-N 1 0 436.000 2.786 20 0 IFADRO O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]12 ZINC001165013507 721754043 /nfs/dbraw/zinc/75/40/43/721754043.db2.gz MZQKYKFYPHKYJV-SMIHKQSGSA-N 1 0 449.599 2.663 20 0 IFADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1nccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164911732 721757965 /nfs/dbraw/zinc/75/79/65/721757965.db2.gz YANGSPCFTHJSPH-UHFFFAOYSA-N 1 0 433.560 2.587 20 0 IFADRO COC(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1C(=O)OC ZINC001165021494 721803227 /nfs/dbraw/zinc/80/32/27/721803227.db2.gz HGYLZHDYQBKWPX-FFZOFVMBSA-N 1 0 438.528 2.787 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(S(N)(=O)=O)cc3Cl)C[C@@H]21 ZINC001165018792 721809182 /nfs/dbraw/zinc/80/91/82/721809182.db2.gz AFWOXZPQFUDXQM-DKSSEZFCSA-N 1 0 435.981 2.514 20 0 IFADRO CCNS(=O)(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020803 721817480 /nfs/dbraw/zinc/81/74/80/721817480.db2.gz DDIQTMUDOQVZDD-IHPCNDPISA-N 1 0 429.590 2.512 20 0 IFADRO CCNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165018771 721823978 /nfs/dbraw/zinc/82/39/78/721823978.db2.gz AFSXPZJOTAEIHP-YYWHXJBOSA-N 1 0 429.590 2.512 20 0 IFADRO COC(=O)CSc1cncc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026744 721826629 /nfs/dbraw/zinc/82/66/29/721826629.db2.gz PYZSAVRUHZSRIK-UHOSZYNNSA-N 1 0 427.574 2.874 20 0 IFADRO COC(=O)CSc1cncc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026746 721826881 /nfs/dbraw/zinc/82/68/81/721826881.db2.gz PYZSAVRUHZSRIK-YTQUADARSA-N 1 0 427.574 2.874 20 0 IFADRO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164922783 721836244 /nfs/dbraw/zinc/83/62/44/721836244.db2.gz INFMXDBNFGNNFT-YKSBVNFPSA-N 1 0 438.576 2.611 20 0 IFADRO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164922781 721836429 /nfs/dbraw/zinc/83/64/29/721836429.db2.gz INFMXDBNFGNNFT-RDPSFJRHSA-N 1 0 438.576 2.611 20 0 IFADRO Fc1cnc(N2CCOC[C@]3(CCCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)nc1 ZINC001164919766 721846234 /nfs/dbraw/zinc/84/62/34/721846234.db2.gz CPPBIVXVICJXMK-QHCPKHFHSA-N 1 0 426.540 2.730 20 0 IFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(C(=O)NCc2ccccc2)cc(Cl)n1 ZINC001164923468 721854101 /nfs/dbraw/zinc/85/41/01/721854101.db2.gz APJRFTJKRWHBGF-PMACEKPBSA-N 1 0 427.980 2.880 20 0 IFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1ncn2Cc1ccccc1 ZINC001164925777 721856058 /nfs/dbraw/zinc/85/60/58/721856058.db2.gz FZWIMGVPAQSWCC-MSOLQXFVSA-N 1 0 425.968 2.743 20 0 IFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncccc1C(=O)NCCSCc1ccco1 ZINC001164923176 721870397 /nfs/dbraw/zinc/87/03/97/721870397.db2.gz JAQTZGMQMJPDSP-NHCUHLMSSA-N 1 0 443.617 2.552 20 0 IFADRO C[C@@H]1C(=O)NCCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001165039205 721883398 /nfs/dbraw/zinc/88/33/98/721883398.db2.gz YUCGOFSZMZFAOW-OAHLLOKOSA-N 1 0 440.931 2.721 20 0 IFADRO CCNS(=O)(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938712 721927981 /nfs/dbraw/zinc/92/79/81/721927981.db2.gz FIMLKCICBFKBRN-UHFFFAOYSA-N 1 0 444.601 2.560 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)nc1 ZINC001164954761 721989977 /nfs/dbraw/zinc/98/99/77/721989977.db2.gz WSHJWMCVPBXARY-PCCBWWKXSA-N 1 0 435.638 2.583 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)nc1 ZINC001164954763 721990232 /nfs/dbraw/zinc/99/02/32/721990232.db2.gz WSHJWMCVPBXARY-QHAWAJNXSA-N 1 0 435.638 2.583 20 0 IFADRO Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164957468 722029141 /nfs/dbraw/zinc/02/91/41/722029141.db2.gz MDIXHCJSPDHTII-JQVVWYNYSA-N 1 0 428.508 2.906 20 0 IFADRO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964264 722055214 /nfs/dbraw/zinc/05/52/14/722055214.db2.gz UFFYWSKMTAKVLX-UHFFFAOYSA-N 1 0 445.951 2.821 20 0 IFADRO COc1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164983946 722105507 /nfs/dbraw/zinc/10/55/07/722105507.db2.gz RJSKKACLVPEZTE-FDDCHVKYSA-N 1 0 435.528 2.769 20 0 IFADRO CC(C)(C)OC(=O)Nc1nccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982722 722109819 /nfs/dbraw/zinc/10/98/19/722109819.db2.gz XTZOUBHKEIEWCN-RBUKOAKNSA-N 1 0 440.548 2.946 20 0 IFADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975753 722117487 /nfs/dbraw/zinc/11/74/87/722117487.db2.gz KSZFMXJTTOIBJV-TZIWHRDSSA-N 1 0 437.544 2.653 20 0 IFADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975747 722117649 /nfs/dbraw/zinc/11/76/49/722117649.db2.gz KSZFMXJTTOIBJV-FPOVZHCZSA-N 1 0 437.544 2.653 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c(OC)c1 ZINC001164981904 722123079 /nfs/dbraw/zinc/12/30/79/722123079.db2.gz VKEULJJYHKBDDS-GCJKJVERSA-N 1 0 435.528 2.769 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH]c-2n1 ZINC001164983363 722130890 /nfs/dbraw/zinc/13/08/90/722130890.db2.gz UQZAFJLUSCOLBN-CTNGQTDRSA-N 1 0 435.528 2.862 20 0 IFADRO CSc1nc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164984177 722131734 /nfs/dbraw/zinc/13/17/34/722131734.db2.gz WAJGAVXLTCUJIZ-HZPDHXFCSA-N 1 0 428.587 2.931 20 0 IFADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972841 722134159 /nfs/dbraw/zinc/13/41/59/722134159.db2.gz AXRNLMWSLXOKEI-JQALJYHRSA-N 1 0 447.539 2.871 20 0 IFADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972845 722134525 /nfs/dbraw/zinc/13/45/25/722134525.db2.gz AXRNLMWSLXOKEI-RNGZTFIZSA-N 1 0 447.539 2.871 20 0 IFADRO CN(C)C(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982088 722143647 /nfs/dbraw/zinc/14/36/47/722143647.db2.gz QXPTVUAVEGMGBG-XLIONFOSSA-N 1 0 429.952 2.559 20 0 IFADRO CN(C)C(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982086 722144006 /nfs/dbraw/zinc/14/40/06/722144006.db2.gz QXPTVUAVEGMGBG-PXNSSMCTSA-N 1 0 429.952 2.559 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164977858 722154026 /nfs/dbraw/zinc/15/40/26/722154026.db2.gz YXJUXSACJWAZOM-FXAWDEMLSA-N 1 0 430.936 2.952 20 0 IFADRO Cc1nc(CN2CCO[C@@H]3CCN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]32)cs1 ZINC001164987153 722184253 /nfs/dbraw/zinc/18/42/53/722184253.db2.gz GVXRPSGMTNBXRG-NHCUHLMSSA-N 1 0 428.606 2.578 20 0 IFADRO Cc1nc(CN2CCO[C@H]3CCN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@@H]32)cs1 ZINC001164987155 722184292 /nfs/dbraw/zinc/18/42/92/722184292.db2.gz GVXRPSGMTNBXRG-SFTDATJTSA-N 1 0 428.606 2.578 20 0 IFADRO Cc1nc(CN2CCO[C@H]3CCN(c4cccc(N5CCOCC5)[nH+]4)CC[C@@H]32)cs1 ZINC001164987549 722184334 /nfs/dbraw/zinc/18/43/34/722184334.db2.gz IJWFXXRHIJXEQJ-PMACEKPBSA-N 1 0 429.590 2.553 20 0 IFADRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]12 ZINC001164991947 722187296 /nfs/dbraw/zinc/18/72/96/722187296.db2.gz RCTNDWAVFWTXSK-UPVQGACJSA-N 1 0 440.613 2.859 20 0 IFADRO CN1c2cnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2N2CCC[C@@H]2C1=O ZINC001164996340 722200057 /nfs/dbraw/zinc/20/00/57/722200057.db2.gz UCUJVCYKJXKMMR-NTKDMRAZSA-N 1 0 436.535 2.806 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC001165002121 722247384 /nfs/dbraw/zinc/24/73/84/722247384.db2.gz WPBIAOBKCIOKLR-ZJSXRUAMSA-N 1 0 438.576 2.531 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc(-c3ccccc3)n1)CCC2 ZINC001165000926 722252686 /nfs/dbraw/zinc/25/26/86/722252686.db2.gz WRVGGRARMZOOSC-UHFFFAOYSA-N 1 0 427.940 2.877 20 0 IFADRO COc1cc2nc(C)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2cc1OC ZINC001165002302 722253597 /nfs/dbraw/zinc/25/35/97/722253597.db2.gz NJLSDEKRCWONLY-UHFFFAOYSA-N 1 0 440.548 2.640 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)CCC2 ZINC001165002582 722254405 /nfs/dbraw/zinc/25/44/05/722254405.db2.gz QTVHCBVWSSMADT-UHFFFAOYSA-N 1 0 448.999 2.948 20 0 IFADRO COC(=O)C[C@@H](c1ccnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1)C1CC1 ZINC001165002937 722256109 /nfs/dbraw/zinc/25/61/09/722256109.db2.gz XSCMLOGHQKJHML-HXUWFJFHSA-N 1 0 441.576 2.823 20 0 IFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000002649519 562929197 /nfs/dbraw/zinc/92/91/97/562929197.db2.gz KDYRBDIMIJPFEH-NRFANRHFSA-N 1 0 427.526 2.791 20 0 IFADRO CC1CCN(Cc2nc3sc4c(c3c(N3CC[C@@H]5[NH2+]CCO[C@H]5C3)n2)CCC4)CC1 ZINC001164390448 718824527 /nfs/dbraw/zinc/82/45/27/718824527.db2.gz OQGHPSUJIROQPO-ROUUACIJSA-N 1 0 427.618 2.979 20 0 IFADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164388672 718825766 /nfs/dbraw/zinc/82/57/66/718825766.db2.gz DOJJFRUWWIACRU-HOTGVXAUSA-N 1 0 426.851 2.701 20 0 IFADRO C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCN5CC[NH2+]C[C@H]5C4)c23)C1 ZINC001164402710 718839893 /nfs/dbraw/zinc/83/98/93/718839893.db2.gz GJDYGDWRSFPMTA-ROUUACIJSA-N 1 0 440.661 2.896 20 0 IFADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCN5CC[NH2+]C[C@H]5C3)n2)CCC4)CC1 ZINC001164401749 718839954 /nfs/dbraw/zinc/83/99/54/718839954.db2.gz AFDXXOGGGLJTFD-KRWDZBQOSA-N 1 0 426.634 2.506 20 0 IFADRO OC[C@@]12C[NH2+]C[C@H]1CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164402481 718853012 /nfs/dbraw/zinc/85/30/12/718853012.db2.gz FOKYQDOADKMHJU-HJPURHCSSA-N 1 0 427.618 2.574 20 0 IFADRO C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164409859 718863950 /nfs/dbraw/zinc/86/39/50/718863950.db2.gz VBXCNVRNPWYKEF-SJLPKXTDSA-N 1 0 427.618 2.981 20 0 IFADRO C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164409508 718864208 /nfs/dbraw/zinc/86/42/08/718864208.db2.gz QVPBHSDPEWNKJL-SJLPKXTDSA-N 1 0 427.618 2.981 20 0 IFADRO C[Si](C)(C)c1ccc(C(F)(F)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)nc1Cl ZINC001164415603 718885210 /nfs/dbraw/zinc/88/52/10/718885210.db2.gz MEBRIPGVORUPNQ-UHFFFAOYSA-N 1 0 426.975 2.516 20 0 IFADRO CC(C)(C)C(=O)Nc1ccnc(N2CCCCC23CC[NH2+]CC3)c1CN1CC[C@@H](CO)C1 ZINC001164420017 718910801 /nfs/dbraw/zinc/91/08/01/718910801.db2.gz FUWOBGRNWZHHGN-LJQANCHMSA-N 1 0 443.636 2.993 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164434145 718967789 /nfs/dbraw/zinc/96/77/89/718967789.db2.gz OXMXVTSGBHQOEW-QWHCGFSZSA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164434148 718967795 /nfs/dbraw/zinc/96/77/95/718967795.db2.gz OXMXVTSGBHQOEW-STQMWFEESA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164435068 718968353 /nfs/dbraw/zinc/96/83/53/718968353.db2.gz YIYCAEQGWVIZLD-QWHCGFSZSA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164432370 718968515 /nfs/dbraw/zinc/96/85/15/718968515.db2.gz GVKITJDYYIAPOV-CHWSQXEVSA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(C)nc(Cl)n1)C2 ZINC001164433084 718969110 /nfs/dbraw/zinc/96/91/10/718969110.db2.gz JNTAKEZRRVJJNM-KBPBESRZSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164432301 718969614 /nfs/dbraw/zinc/96/96/14/718969614.db2.gz FZSZHESYDNPWJD-GJZGRUSLSA-N 1 0 442.816 2.813 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)nc1OC)C2 ZINC001164617066 719009844 /nfs/dbraw/zinc/00/98/44/719009844.db2.gz LWSUILBYSVOFPU-IFXJQAMLSA-N 1 0 444.910 2.833 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164619878 719010563 /nfs/dbraw/zinc/01/05/63/719010563.db2.gz XHZIXQLKGSBCJA-IFXJQAMLSA-N 1 0 444.910 2.747 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nnc1OC)C2 ZINC001164617124 719011255 /nfs/dbraw/zinc/01/12/55/719011255.db2.gz MMOQXWMICZADDQ-AUUYWEPGSA-N 1 0 444.910 2.833 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164618899 719011969 /nfs/dbraw/zinc/01/19/69/719011969.db2.gz URAIEHBUNXLHLN-FZKQIMNGSA-N 1 0 430.883 2.704 20 0 IFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC001164616087 719017327 /nfs/dbraw/zinc/01/73/27/719017327.db2.gz KJTCNWNGWNWZJJ-IXDOHACOSA-N 1 0 429.590 2.634 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4ccc(C(=O)OC)cc43)CC2)CC1 ZINC001164614298 719022639 /nfs/dbraw/zinc/02/26/39/719022639.db2.gz QXZSWLFYINBFAJ-UHFFFAOYSA-N 1 0 426.517 2.660 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(CO)ccc3NC(=O)C(C)(C)C)CC2)CC1 ZINC001164617503 719029898 /nfs/dbraw/zinc/02/98/98/719029898.db2.gz MWGHGCSQLQYXPI-UHFFFAOYSA-N 1 0 446.592 2.802 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3CN(C(C)C)C4=O)CC2)CC1 ZINC001164618460 719030567 /nfs/dbraw/zinc/03/05/67/719030567.db2.gz XDZPKMBZUZDRQD-UHFFFAOYSA-N 1 0 449.983 2.738 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC2)CC1 ZINC001164616993 719030840 /nfs/dbraw/zinc/03/08/40/719030840.db2.gz HKOISOQEDARDKP-UHFFFAOYSA-N 1 0 444.910 2.623 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(OC)nc(N4CCCCCC4)n3)CC2)CC1 ZINC001164616353 719031656 /nfs/dbraw/zinc/03/16/56/719031656.db2.gz AHHBSVHQXQNINY-UHFFFAOYSA-N 1 0 446.596 2.505 20 0 IFADRO CCOC(=O)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1C(=O)OCC ZINC001164621782 719067750 /nfs/dbraw/zinc/06/77/50/719067750.db2.gz HPKRHWDAKMJYFT-AZUAARDMSA-N 1 0 438.528 2.931 20 0 IFADRO [NH3+]C1([C@H]2CN(c3ncccc3C(=O)N3CCN(Cc4ccccc4)CC3)C[C@@H]2CF)CC1 ZINC001164620018 719120466 /nfs/dbraw/zinc/12/04/66/719120466.db2.gz GIHNYAYOCSAUCR-UNMCSNQZSA-N 1 0 437.563 2.553 20 0 IFADRO COC(=O)c1cc2ccc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164639378 719210951 /nfs/dbraw/zinc/21/09/51/719210951.db2.gz PYVFBHFRJCIWGL-HOTGVXAUSA-N 1 0 442.541 2.589 20 0 IFADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164663905 719347775 /nfs/dbraw/zinc/34/77/75/719347775.db2.gz OSYAUDYUJWLQLK-UHFFFAOYSA-N 1 0 429.572 2.817 20 0 IFADRO Cn1ncc2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@@H]2COc1cccnc1 ZINC001164687301 719599102 /nfs/dbraw/zinc/59/91/02/719599102.db2.gz RWVIYCALXLRDIX-LJQANCHMSA-N 1 0 434.544 2.868 20 0 IFADRO Cn1ncc2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@H]2COc1cccnc1 ZINC001164687295 719599121 /nfs/dbraw/zinc/59/91/21/719599121.db2.gz RWVIYCALXLRDIX-IBGZPJMESA-N 1 0 434.544 2.868 20 0 IFADRO CN(C)c1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680032 719658756 /nfs/dbraw/zinc/65/87/56/719658756.db2.gz CPYCPYVRBCEPIB-LJQANCHMSA-N 1 0 436.604 2.636 20 0 IFADRO CCOc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164680645 719663996 /nfs/dbraw/zinc/66/39/96/719663996.db2.gz GTCYYDQLBWUNCS-IBGZPJMESA-N 1 0 437.588 2.969 20 0 IFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc4c(n3)CCCN4)CC2)c2ccccc21 ZINC001164681915 719667778 /nfs/dbraw/zinc/66/77/78/719667778.db2.gz OGYHCUHWVUAASR-LJQANCHMSA-N 1 0 448.615 2.928 20 0 IFADRO Cc1ccc(C(N)=O)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685606 719676630 /nfs/dbraw/zinc/67/66/30/719676630.db2.gz VNTUXVXNXFUEBD-LJQANCHMSA-N 1 0 449.599 2.582 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CC2 ZINC001164682217 719708523 /nfs/dbraw/zinc/70/85/23/719708523.db2.gz CNNNBLIOWVPTAW-UHFFFAOYSA-N 1 0 444.754 2.561 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CC2 ZINC001164689864 719751575 /nfs/dbraw/zinc/75/15/75/719751575.db2.gz MQPICXSXQJTIBQ-UHFFFAOYSA-N 1 0 440.882 2.511 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)c(Cc3ccc(OC)cc3)c(C)n1)CC2 ZINC001164690079 719752500 /nfs/dbraw/zinc/75/25/00/719752500.db2.gz SBFJGKBIYWSCDI-UHFFFAOYSA-N 1 0 437.588 2.874 20 0 IFADRO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695701 719890472 /nfs/dbraw/zinc/89/04/72/719890472.db2.gz RQLBSEWRBGZTKC-UHFFFAOYSA-N 1 0 436.965 2.778 20 0 IFADRO O=C1CCC(=O)N1Cc1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164697722 719895299 /nfs/dbraw/zinc/89/52/99/719895299.db2.gz OJHUVWLIEAEIOZ-UHFFFAOYSA-N 1 0 440.569 2.664 20 0 IFADRO Cc1noc([C@]23COC[C@@H]2CN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)C3)n1 ZINC001164808566 720063512 /nfs/dbraw/zinc/06/35/12/720063512.db2.gz IELYWIBKNCFQBY-HNAYVOBHSA-N 1 0 437.878 2.752 20 0 IFADRO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cn1 ZINC001164710239 720070593 /nfs/dbraw/zinc/07/05/93/720070593.db2.gz DIWUUFXPIJAIMX-XZOQPEGZSA-N 1 0 428.540 2.758 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1C(=O)OC)CC2 ZINC001164712648 720096692 /nfs/dbraw/zinc/09/66/92/720096692.db2.gz XMGUKDHHQXWPCY-QGZVFWFLSA-N 1 0 445.951 2.819 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1C(=O)OC)CC2 ZINC001164712646 720096936 /nfs/dbraw/zinc/09/69/36/720096936.db2.gz XMGUKDHHQXWPCY-KRWDZBQOSA-N 1 0 445.951 2.819 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC(C)C)nn1)CC2 ZINC001164711693 720105197 /nfs/dbraw/zinc/10/51/97/720105197.db2.gz SOWZCZCEQRHUMV-HXUWFJFHSA-N 1 0 439.560 2.944 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)c(F)cn1)CC2 ZINC001164716213 720109506 /nfs/dbraw/zinc/10/95/06/720109506.db2.gz JKTNUSYOGASOFU-GOSISDBHSA-N 1 0 428.508 2.910 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(C)C)nc(N(C)C)n1)CC2 ZINC001164719445 720125420 /nfs/dbraw/zinc/12/54/20/720125420.db2.gz WXEUARKALYEBBG-HXUWFJFHSA-N 1 0 439.608 2.964 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[nH]c(C(=O)OC)cc31)C2 ZINC001164809943 720135872 /nfs/dbraw/zinc/13/58/72/720135872.db2.gz IUOUSHIEDZZYPD-SZNDQCEHSA-N 1 0 433.940 2.583 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164712621 720143753 /nfs/dbraw/zinc/14/37/53/720143753.db2.gz NWAZSNIWUSGWCT-JOCHJYFZSA-N 1 0 433.560 2.624 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)N(C)OC)ccn1)CC2 ZINC001164713538 720148606 /nfs/dbraw/zinc/14/86/06/720148606.db2.gz RMGSQJDQCGOVSE-OAQYLSRUSA-N 1 0 439.560 2.618 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(NC(N)=S)cn1)CC2 ZINC001164713606 720150132 /nfs/dbraw/zinc/15/01/32/720150132.db2.gz SRYBCPOVFIYBMV-LJQANCHMSA-N 1 0 426.590 2.640 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1cc(C(=O)OC)n3C)C2 ZINC001164816778 720158612 /nfs/dbraw/zinc/15/86/12/720158612.db2.gz MQWFMSPDPQWFJO-QRQCRPRQSA-N 1 0 447.967 2.593 20 0 IFADRO CN(C)C(=O)N1CC2(CC[NH+](C(C)(C)c3ccnc(Cl)c3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC001164715147 720163915 /nfs/dbraw/zinc/16/39/15/720163915.db2.gz SVADLYLYIHPWQC-HSZRJFAPSA-N 1 0 448.011 2.898 20 0 IFADRO Cc1cc2c(nc(Cl)nc2N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)s1 ZINC001164719870 720174902 /nfs/dbraw/zinc/17/49/02/720174902.db2.gz XUNLHDOKEYRXLP-INIZCTEOSA-N 1 0 447.996 2.998 20 0 IFADRO Cn1nnc2c1CCN(c1nccc3cc(Cl)ncc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718763 720175518 /nfs/dbraw/zinc/17/55/18/720175518.db2.gz QPRXPNJZGKYNJE-SFHVURJKSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1ncnc3cc(Cl)ccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716498 720176350 /nfs/dbraw/zinc/17/63/50/720176350.db2.gz FXKSMJFUBGBBTE-IBGZPJMESA-N 1 0 427.940 2.628 20 0 IFADRO Cc1cccc2c1nc(Cl)nc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164719861 720176400 /nfs/dbraw/zinc/17/64/00/720176400.db2.gz XLXCISWTLBSWCE-SFHVURJKSA-N 1 0 441.967 2.936 20 0 IFADRO Cn1nnc2c1CCN(c1nc3ccccc3nc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717078 720177973 /nfs/dbraw/zinc/17/79/73/720177973.db2.gz KJZNRCKCEUOPPL-GOSISDBHSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1cc3nccc(Cl)c3cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719170 720179976 /nfs/dbraw/zinc/17/99/76/720179976.db2.gz TVKOHSNEQDLJIT-IBGZPJMESA-N 1 0 427.940 2.628 20 0 IFADRO Cc1ccc2nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c(Cl)nc2c1 ZINC001164719915 720180076 /nfs/dbraw/zinc/18/00/76/720180076.db2.gz YUTAGDXKWLMTPW-LJQANCHMSA-N 1 0 441.967 2.936 20 0 IFADRO COc1ccc2nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)cc(C)c2c1 ZINC001164719555 720182846 /nfs/dbraw/zinc/18/28/46/720182846.db2.gz WDJFREHIOBPCTN-JOCHJYFZSA-N 1 0 436.560 2.897 20 0 IFADRO Cn1nnc2c1CCN(c1cc3ccc(Cl)nc3cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719865 720184676 /nfs/dbraw/zinc/18/46/76/720184676.db2.gz XPWWJYQAMCTUNK-SFHVURJKSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1ccc(-c3cccs3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718395 720187836 /nfs/dbraw/zinc/18/78/36/720187836.db2.gz PLZXLQJQTPGEAM-GOSISDBHSA-N 1 0 425.562 2.550 20 0 IFADRO Cc1ccc(Cl)nc1C(F)(F)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715893 720187981 /nfs/dbraw/zinc/18/79/81/720187981.db2.gz DEDQUNGEOHRKMH-MRXNPFEDSA-N 1 0 440.926 2.933 20 0 IFADRO Cn1nnc2c1CCN(c1nc(Cl)cc(C(C)(C)C)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717117 720192381 /nfs/dbraw/zinc/19/23/81/720192381.db2.gz SHVHEZIIWDQOOB-MRXNPFEDSA-N 1 0 433.988 2.772 20 0 IFADRO Cn1nnc2c1CCN(c1ncc3c(n1)-c1ccccc1CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164717169 720192778 /nfs/dbraw/zinc/19/27/78/720192778.db2.gz TZCNYQMSUSIBIC-QFIPXVFZSA-N 1 0 445.571 2.587 20 0 IFADRO Cn1nnc2c1CCN(c1ccc(-c3ccc(F)cc3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713813 720198835 /nfs/dbraw/zinc/19/88/35/720198835.db2.gz DXVMYYPKSONQGY-NRFANRHFSA-N 1 0 437.523 2.627 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nc(C(=O)OC)nc1Cl)C2 ZINC001164810797 720200444 /nfs/dbraw/zinc/20/04/44/720200444.db2.gz CPTPWJHDFBDVQN-YJYMSZOUSA-N 1 0 429.348 2.755 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(Cl)cc1-c1ccncc1)CCC2 ZINC001164814175 720214755 /nfs/dbraw/zinc/21/47/55/720214755.db2.gz UALXMTCVGQGIIP-UHFFFAOYSA-N 1 0 439.951 2.999 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164814097 720218997 /nfs/dbraw/zinc/21/89/97/720218997.db2.gz TUUZHGUCMVNIBO-UHFFFAOYSA-N 1 0 435.528 2.829 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3nc(C4CC4)no3)ccn1)CCC2 ZINC001164818289 720244508 /nfs/dbraw/zinc/24/45/08/720244508.db2.gz YGFOPCMLFBNXGJ-UHFFFAOYSA-N 1 0 435.532 2.816 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2C(=O)N2CCCCC2)CC1 ZINC001164828276 720294783 /nfs/dbraw/zinc/29/47/83/720294783.db2.gz ZRULAGKJJVKNNI-YADHBBJMSA-N 1 0 439.604 2.619 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cncc(OCc3ccccc3)n2)CC1 ZINC001164818561 720302600 /nfs/dbraw/zinc/30/26/00/720302600.db2.gz AGWPHVQNWOUJGN-VXKWHMMOSA-N 1 0 435.572 2.967 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(Cl)n1 ZINC001164824494 720309236 /nfs/dbraw/zinc/30/92/36/720309236.db2.gz RDPZHVCXZWUSRH-HOTGVXAUSA-N 1 0 427.927 2.895 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccnc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001164828259 720309586 /nfs/dbraw/zinc/30/95/86/720309586.db2.gz ZMRQKTRMRDYETA-ROUUACIJSA-N 1 0 444.580 2.735 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164820078 720311509 /nfs/dbraw/zinc/31/15/09/720311509.db2.gz GRGYZIZASCXTTI-FGZHOGPDSA-N 1 0 436.556 2.933 20 0 IFADRO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164723999 720314655 /nfs/dbraw/zinc/31/46/55/720314655.db2.gz PYPATADYQOXNPN-FQEVSTJZSA-N 1 0 426.565 2.574 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C(=O)OC(C)(C)C)cn2)CC1 ZINC001164833782 720317850 /nfs/dbraw/zinc/31/78/50/720317850.db2.gz XPEKRTFVCOONKZ-WOJBJXKFSA-N 1 0 428.577 2.948 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)cc2N)CC1 ZINC001164830759 720321276 /nfs/dbraw/zinc/32/12/76/720321276.db2.gz PTNNGNPIOIPHFC-SJORKVTESA-N 1 0 427.927 2.774 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824758 720327976 /nfs/dbraw/zinc/32/79/76/720327976.db2.gz DDZKOGKICLMDOK-FGZHOGPDSA-N 1 0 436.556 2.933 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824757 720328136 /nfs/dbraw/zinc/32/81/36/720328136.db2.gz DDZKOGKICLMDOK-FCHUYYIVSA-N 1 0 436.556 2.933 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834329 720330327 /nfs/dbraw/zinc/33/03/27/720330327.db2.gz ZEFHHMURVFUNTE-IAGOWNOFSA-N 1 0 445.999 2.972 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C(=O)NC(C)(C)C)ccn2)CC1 ZINC001164826199 720330364 /nfs/dbraw/zinc/33/03/64/720330364.db2.gz FQGBBCSPWDISOV-VQTJNVASSA-N 1 0 427.593 2.521 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(N)c2)CC1 ZINC001164828923 720334665 /nfs/dbraw/zinc/33/46/65/720334665.db2.gz KOBHWUOFWKRETB-SJORKVTESA-N 1 0 427.927 2.774 20 0 IFADRO COC(=O)c1ccc2cc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc2c1 ZINC001164829445 720335242 /nfs/dbraw/zinc/33/52/42/720335242.db2.gz MAJXWOBQRYEIEY-VXKWHMMOSA-N 1 0 436.556 2.933 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)nn1 ZINC001164822280 720340957 /nfs/dbraw/zinc/34/09/57/720340957.db2.gz CZDOKSZAOJOMMI-DLBZAZTESA-N 1 0 427.927 2.895 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)COc2cncc(Cl)n2)CC1 ZINC001164828365 720341595 /nfs/dbraw/zinc/34/15/95/720341595.db2.gz OLDIIGVJFKBLLO-JKSUJKDBSA-N 1 0 443.926 2.509 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc21 ZINC001164821749 720346792 /nfs/dbraw/zinc/34/67/92/720346792.db2.gz BRSKHTGGNYFLTA-FCHUYYIVSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccncc3)nc3c2CCC3)CC1 ZINC001164831581 720346815 /nfs/dbraw/zinc/34/68/15/720346815.db2.gz YUASARSOKGPFTO-XZOQPEGZSA-N 1 0 446.599 2.939 20 0 IFADRO COc1cc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(Cl)n1 ZINC001164823596 720354616 /nfs/dbraw/zinc/35/46/16/720354616.db2.gz HEUKLYFMIPCLMI-GJZGRUSLSA-N 1 0 443.926 2.595 20 0 IFADRO Cc1nc(CO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)[C@H]3CCCO[C@H]23)cs1 ZINC001164823733 720390671 /nfs/dbraw/zinc/39/06/71/720390671.db2.gz PYPMUPSGHHXFAD-JQVVWYNYSA-N 1 0 429.590 2.551 20 0 IFADRO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC(C)=O ZINC001164735066 720414375 /nfs/dbraw/zinc/41/43/75/720414375.db2.gz VMURWDDWAVMUSN-NHCUHLMSSA-N 1 0 447.495 2.729 20 0 IFADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164733456 720445941 /nfs/dbraw/zinc/44/59/41/720445941.db2.gz PPLUSVYKTOEOIS-WMQCIHAUSA-N 1 0 429.590 2.797 20 0 IFADRO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164734811 720447636 /nfs/dbraw/zinc/44/76/36/720447636.db2.gz UULJQNFOODEWMG-RTWAWAEBSA-N 1 0 429.590 2.654 20 0 IFADRO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164734809 720448185 /nfs/dbraw/zinc/44/81/85/720448185.db2.gz UULJQNFOODEWMG-LEWJYISDSA-N 1 0 429.590 2.654 20 0 IFADRO O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164724456 720501647 /nfs/dbraw/zinc/50/16/47/720501647.db2.gz GIFVPESCTUWLMF-RDPSFJRHSA-N 1 0 437.544 2.575 20 0 IFADRO O=C(C[C@@H]1OC[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@@H]21)N1CCCCC1 ZINC001164834068 720501663 /nfs/dbraw/zinc/50/16/63/720501663.db2.gz RHBLTDHDBWRAFH-FKBYEOEOSA-N 1 0 442.604 2.800 20 0 IFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)C1 ZINC001164731962 720522908 /nfs/dbraw/zinc/52/29/08/720522908.db2.gz BRBTVONRPXESRM-AWEZNQCLSA-N 1 0 426.525 2.699 20 0 IFADRO CCOC(=O)c1sc2nc(C)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c1C ZINC001164735201 720523305 /nfs/dbraw/zinc/52/33/05/720523305.db2.gz WDIMMGAGCMFEGV-OAHLLOKOSA-N 1 0 428.562 2.879 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc21 ZINC001164836111 720525446 /nfs/dbraw/zinc/52/54/46/720525446.db2.gz MTQKTKFQGCIXLM-JBYIUTFZSA-N 1 0 434.544 2.991 20 0 IFADRO COC(=O)c1ccc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1Cl ZINC001164734161 720555611 /nfs/dbraw/zinc/55/56/11/720555611.db2.gz WTBUDBVDONFCJY-UHFFFAOYSA-N 1 0 439.894 2.922 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nnc(Cl)c4c3N(C)CCO4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836289 720588640 /nfs/dbraw/zinc/58/86/40/720588640.db2.gz FPQBUVKUVWGWHS-IXDOHACOSA-N 1 0 431.972 2.533 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(=O)NC4CCCC4)nn3)CC[C@@H]21 ZINC001164842896 720623277 /nfs/dbraw/zinc/62/32/77/720623277.db2.gz WFGQGRAHQDULST-VCOUNFBDSA-N 1 0 437.592 2.723 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)CC[C@@H]21 ZINC001164839971 720645788 /nfs/dbraw/zinc/64/57/88/720645788.db2.gz LOZVAKDQSZCQKR-HCXYKTFWSA-N 1 0 446.983 2.872 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)CC[C@@H]21 ZINC001164839972 720646292 /nfs/dbraw/zinc/64/62/92/720646292.db2.gz LOZVAKDQSZCQKR-XWSJACJDSA-N 1 0 446.983 2.872 20 0 IFADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741456 720673011 /nfs/dbraw/zinc/67/30/11/720673011.db2.gz TXIQNAWGMHJPBA-GJZGRUSLSA-N 1 0 432.862 2.960 20 0 IFADRO CCOC(=O)c1cnc(OC)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843316 720685199 /nfs/dbraw/zinc/68/51/99/720685199.db2.gz NSXGYGUFKLDDDS-IBGZPJMESA-N 1 0 440.544 2.922 20 0 IFADRO CCOc1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2cc1OCC ZINC001164740151 720697799 /nfs/dbraw/zinc/69/77/99/720697799.db2.gz QKPAYXRIILNCSS-IRXDYDNUSA-N 1 0 436.516 2.559 20 0 IFADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164739446 720726954 /nfs/dbraw/zinc/72/69/54/720726954.db2.gz IQZNNGMRNLNHJP-GDBMZVCRSA-N 1 0 443.870 2.588 20 0 IFADRO c1ccc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164742859 720754653 /nfs/dbraw/zinc/75/46/53/720754653.db2.gz OOAHVAYBTMJKFQ-RTBURBONSA-N 1 0 431.544 2.752 20 0 IFADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737187 720757979 /nfs/dbraw/zinc/75/79/79/720757979.db2.gz AMFAJLCJNBYGAY-OALUTQOASA-N 1 0 425.496 2.824 20 0 IFADRO COc1ccc(Cc2c(C)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2C)cc1 ZINC001164750421 720801075 /nfs/dbraw/zinc/80/10/75/720801075.db2.gz VOQVNSHEXLSVTL-RBBKRZOGSA-N 1 0 446.555 2.825 20 0 IFADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747518 720808698 /nfs/dbraw/zinc/80/86/98/720808698.db2.gz OKFZAJCLMMPWQM-IPMKNSEASA-N 1 0 444.967 2.883 20 0 IFADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747927 720812526 /nfs/dbraw/zinc/81/25/26/720812526.db2.gz PSGXUYGCKVMKJR-UAFIJQKCSA-N 1 0 436.560 2.629 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741894 720823949 /nfs/dbraw/zinc/82/39/49/720823949.db2.gz PBKVLUYFJXHBRG-FUPPJEDESA-N 1 0 446.555 2.992 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c1 ZINC001164744458 720824625 /nfs/dbraw/zinc/82/46/25/720824625.db2.gz ULEIBXRXZGHBMN-FUPPJEDESA-N 1 0 446.555 2.992 20 0 IFADRO CSc1nc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2s1 ZINC001164748812 720838766 /nfs/dbraw/zinc/83/87/66/720838766.db2.gz UYSCRZSYMXEBKD-ARFHVFGLSA-N 1 0 442.618 2.779 20 0 IFADRO CCOCc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742494 720842274 /nfs/dbraw/zinc/84/22/74/720842274.db2.gz HBYFICCGQCXBRU-BHIYHBOVSA-N 1 0 431.972 2.637 20 0 IFADRO C=Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1OC ZINC001164747874 720844533 /nfs/dbraw/zinc/84/45/33/720844533.db2.gz RXRCLKXOAIRRCR-JFIYKMOQSA-N 1 0 429.956 2.753 20 0 IFADRO COC(=O)c1ccc2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164750412 720844551 /nfs/dbraw/zinc/84/45/51/720844551.db2.gz XLCWLDDFOKIJCD-RJGXRXQPSA-N 1 0 446.555 2.992 20 0 IFADRO CCOc1cc2ncnc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C3)c2cc1OCC ZINC001164854980 720855413 /nfs/dbraw/zinc/85/54/13/720855413.db2.gz LXJNOHVTIRZDRJ-JTSKRJEESA-N 1 0 430.549 2.601 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164753517 720857303 /nfs/dbraw/zinc/85/73/03/720857303.db2.gz WZRSJEZCLYVALH-FUHIMQAGSA-N 1 0 444.967 2.801 20 0 IFADRO FC(F)(Oc1cnc(Cl)cn1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751247 720860377 /nfs/dbraw/zinc/86/03/77/720860377.db2.gz QYWNWEJKNGCBFH-OWCLPIDISA-N 1 0 439.898 2.526 20 0 IFADRO Nc1nc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750487 720867695 /nfs/dbraw/zinc/86/76/95/720867695.db2.gz JEHGDFZODANQNT-AVRDEDQJSA-N 1 0 428.968 2.862 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)CC[C@@H]2C1 ZINC001164851547 720867913 /nfs/dbraw/zinc/86/79/13/720867913.db2.gz ATXJZSKIMDSQLV-KDOFPFPSSA-N 1 0 442.894 2.881 20 0 IFADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)c(Cl)n1 ZINC001164854525 720871221 /nfs/dbraw/zinc/87/12/21/720871221.db2.gz KIPYRIPLWPTVBW-YOEHRIQHSA-N 1 0 447.910 2.630 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4nc3N3CCCCC3)CC[C@@H]2C1 ZINC001164859209 720872928 /nfs/dbraw/zinc/87/29/28/720872928.db2.gz MAYRQDLAGFBXKY-KNQAVFIVSA-N 1 0 425.577 2.794 20 0 IFADRO Cn1cnc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164754358 720878593 /nfs/dbraw/zinc/87/85/93/720878593.db2.gz RLRBIFUJIPPHJH-RDPSFJRHSA-N 1 0 433.560 2.513 20 0 IFADRO COc1cc(OC)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754929 720879518 /nfs/dbraw/zinc/87/95/18/720879518.db2.gz UTPXQMAALMMLFF-GBXCKJPGSA-N 1 0 439.560 2.644 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)CC[C@@H]2C1 ZINC001164861208 720885587 /nfs/dbraw/zinc/88/55/87/720885587.db2.gz PGPFPKONTJYDNS-HUUCEWRRSA-N 1 0 443.882 2.503 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Oc4ccc(OC)cc4)nc(C)n3)CC[C@H]2C1 ZINC001164858239 720885985 /nfs/dbraw/zinc/88/59/85/720885985.db2.gz KQAWACUQYXKLFW-GHTZIAJQSA-N 1 0 428.533 2.759 20 0 IFADRO Cn1cnc2cnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164758151 720886069 /nfs/dbraw/zinc/88/60/69/720886069.db2.gz XEIJVDVADWGJCK-GBXCKJPGSA-N 1 0 433.560 2.513 20 0 IFADRO Cn1cnc2cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164758153 720886421 /nfs/dbraw/zinc/88/64/21/720886421.db2.gz XEIJVDVADWGJCK-RDPSFJRHSA-N 1 0 433.560 2.513 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)c(Cc4ccc(OC)cc4)c(C)n3)CC[C@@H]2C1 ZINC001164862917 720886830 /nfs/dbraw/zinc/88/68/30/720886830.db2.gz SALPFIOENNLKFJ-ZJSXRUAMSA-N 1 0 440.588 2.866 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC[C@H]2C1 ZINC001164862165 720887390 /nfs/dbraw/zinc/88/73/90/720887390.db2.gz QYLMUABJZKZGTG-HOCLYGCPSA-N 1 0 448.898 2.545 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)Oc3ccc(Cl)nc3Cl)CC[C@H]2C1 ZINC001164855301 720888002 /nfs/dbraw/zinc/88/80/02/720888002.db2.gz GRLTYDFNIBGDMI-GXTWGEPZSA-N 1 0 426.291 2.987 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)CC[C@H]2C1 ZINC001164853870 720889513 /nfs/dbraw/zinc/88/95/13/720889513.db2.gz DHMVUUOJPJMSKY-GXTWGEPZSA-N 1 0 426.291 2.987 20 0 IFADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncc4c(n2)CCCN4)C3)c1 ZINC001164749610 720889636 /nfs/dbraw/zinc/88/96/36/720889636.db2.gz AJILBQRZWSXOJA-PXDATVDWSA-N 1 0 434.588 2.985 20 0 IFADRO O=C1COc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2N1 ZINC001164758460 720893701 /nfs/dbraw/zinc/89/37/01/720893701.db2.gz YFAUWNSVCZDTLJ-CPJSRVTESA-N 1 0 449.555 2.563 20 0 IFADRO CCNC(=O)c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755656 720897356 /nfs/dbraw/zinc/89/73/56/720897356.db2.gz MJQSPCBHUYNRFD-BKMJKUGQSA-N 1 0 449.599 2.981 20 0 IFADRO CCNC(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164753135 720908806 /nfs/dbraw/zinc/90/88/06/720908806.db2.gz QIHXWKILQJTASY-BVAGGSTKSA-N 1 0 449.599 2.981 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3cc(C(C)(C)C)sc31)CC2 ZINC001164752158 720950705 /nfs/dbraw/zinc/95/07/05/720950705.db2.gz VTYPYCBYIJADKF-UHFFFAOYSA-N 1 0 428.562 2.831 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164751757 720954512 /nfs/dbraw/zinc/95/45/12/720954512.db2.gz TXFVBTBOAKBAJR-UHFFFAOYSA-N 1 0 435.315 2.779 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164749697 720959171 /nfs/dbraw/zinc/95/91/71/720959171.db2.gz GOMLYCGERNPRDX-UHFFFAOYSA-N 1 0 435.315 2.779 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc3c(Cl)cccc3nc1Cl)CC2 ZINC001164753330 720967465 /nfs/dbraw/zinc/96/74/65/720967465.db2.gz BZZFNUIBGCJZOD-UHFFFAOYSA-N 1 0 435.315 2.779 20 0 IFADRO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164756788 720990195 /nfs/dbraw/zinc/99/01/95/720990195.db2.gz LERILDDBXWDMNL-FIXSFTCYSA-N 1 0 449.599 2.752 20 0 IFADRO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164756790 720990561 /nfs/dbraw/zinc/99/05/61/720990561.db2.gz LERILDDBXWDMNL-ZDXQCDESSA-N 1 0 449.599 2.752 20 0 IFADRO CCOC(=O)[C@H]1CCc2nnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)cc2C1 ZINC001164860356 721022759 /nfs/dbraw/zinc/02/27/59/721022759.db2.gz LOZWIKOEWILWSL-SJORKVTESA-N 1 0 426.565 2.763 20 0 IFADRO CC(C)(C)OC(=O)Nc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164871502 721060813 /nfs/dbraw/zinc/06/08/13/721060813.db2.gz ZJEXUFXDUFEWNJ-MSOLQXFVSA-N 1 0 426.521 2.698 20 0 IFADRO CC(C)(C)OC(=O)Nc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164871504 721061322 /nfs/dbraw/zinc/06/13/22/721061322.db2.gz ZJEXUFXDUFEWNJ-QZTJIDSGSA-N 1 0 426.521 2.698 20 0 IFADRO COC(=O)c1ccc2nc(Cl)c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2c1 ZINC001164767438 721083397 /nfs/dbraw/zinc/08/33/97/721083397.db2.gz LTQVDIGBMNGPJO-IAGOWNOFSA-N 1 0 440.935 2.762 20 0 IFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867379 721086054 /nfs/dbraw/zinc/08/60/54/721086054.db2.gz YGBIRVTZZBGHNS-UXHICEINSA-N 1 0 433.512 2.681 20 0 IFADRO CCOC(=O)c1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164864507 721089502 /nfs/dbraw/zinc/08/95/02/721089502.db2.gz GCYZVMHBVLRCBZ-VQTJNVASSA-N 1 0 433.512 2.681 20 0 IFADRO COc1cc2nc(C)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164867301 721090067 /nfs/dbraw/zinc/09/00/67/721090067.db2.gz XUAYVBZBOCLGRL-OALUTQOASA-N 1 0 435.528 2.830 20 0 IFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164762062 721121871 /nfs/dbraw/zinc/12/18/71/721121871.db2.gz BKTPRQZSEXJLCF-CABCVRRESA-N 1 0 439.894 2.758 20 0 IFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762064 721122999 /nfs/dbraw/zinc/12/29/99/721122999.db2.gz BKTPRQZSEXJLCF-HUUCEWRRSA-N 1 0 439.894 2.758 20 0 IFADRO CCOC(Cc1c(Cl)ncnc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1)OCC ZINC001164765637 721134994 /nfs/dbraw/zinc/13/49/94/721134994.db2.gz JUBVMCADSOQTPZ-ROUUACIJSA-N 1 0 448.999 2.763 20 0 IFADRO CC1CCN(C(=O)c2cccnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001164873642 721143044 /nfs/dbraw/zinc/14/30/44/721143044.db2.gz JOQCVPHASQDRCA-YADHBBJMSA-N 1 0 435.572 2.828 20 0 IFADRO c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[N@@H+]3C2)c1 ZINC001164880433 721147354 /nfs/dbraw/zinc/14/73/54/721147354.db2.gz WOJKBFWDWFRONL-SFTDATJTSA-N 1 0 445.523 2.790 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164761698 721148144 /nfs/dbraw/zinc/14/81/44/721148144.db2.gz AKONXJLPDYOCNM-AEFFLSMTSA-N 1 0 430.984 2.955 20 0 IFADRO c1cncc(CO[C@@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164876549 721168202 /nfs/dbraw/zinc/16/82/02/721168202.db2.gz NDQKRFUAQOJZAL-LEWJYISDSA-N 1 0 428.540 2.902 20 0 IFADRO NC(=S)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2sccc21 ZINC001164868281 721192732 /nfs/dbraw/zinc/19/27/32/721192732.db2.gz LOUZYHCQANPBHD-HZPDHXFCSA-N 1 0 425.583 2.805 20 0 IFADRO NC(=S)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2sccc21 ZINC001164868279 721193113 /nfs/dbraw/zinc/19/31/13/721193113.db2.gz LOUZYHCQANPBHD-CVEARBPZSA-N 1 0 425.583 2.805 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)NC)C2)nc1 ZINC001164867873 721208123 /nfs/dbraw/zinc/20/81/23/721208123.db2.gz IWSOCXFFSORUEV-DNRQZRRGSA-N 1 0 449.603 2.640 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(CNC(=O)c4ccno4)cnc3C2)nc1 ZINC001164767030 721269139 /nfs/dbraw/zinc/26/91/39/721269139.db2.gz QAXUTNRIAYFFMY-LJQANCHMSA-N 1 0 435.532 2.763 20 0 IFADRO COc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164870464 721272813 /nfs/dbraw/zinc/27/28/13/721272813.db2.gz ZEYUXAPWEIHYPB-UHFFFAOYSA-N 1 0 446.979 2.904 20 0 IFADRO C(c1nc2sc3c(c2c(N2CC4(C2)CC[N@@H+](CC2CC2)C4)n1)CCC3)N1CCOCC1 ZINC001164767879 721297235 /nfs/dbraw/zinc/29/72/35/721297235.db2.gz ATLSBLVIMICXNG-UHFFFAOYSA-N 1 0 439.629 2.934 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)nc1 ZINC001164881788 721338699 /nfs/dbraw/zinc/33/86/99/721338699.db2.gz AWEOUQRWKCEOSI-RQTOMXEWSA-N 1 0 442.604 2.720 20 0 IFADRO COC(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1C ZINC001164778328 721346167 /nfs/dbraw/zinc/34/61/67/721346167.db2.gz MVGNEJYLVGKGJN-HSZRJFAPSA-N 1 0 428.533 2.900 20 0 IFADRO Cc1cn(-c2ccc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)cn1 ZINC001164785119 721358983 /nfs/dbraw/zinc/35/89/83/721358983.db2.gz SBWLJNALYJUIFK-HSZRJFAPSA-N 1 0 437.548 2.695 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nnc(Cl)cc4-c4ccncc4)C3)O2)CC1 ZINC001164894080 721389494 /nfs/dbraw/zinc/38/94/94/721389494.db2.gz XHJUQTROZURUFM-WMZHIEFXSA-N 1 0 442.995 2.957 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(NC(=O)OC(C)(C)C)ncn4)C3)O2)CC1 ZINC001164892184 721392929 /nfs/dbraw/zinc/39/29/29/721392929.db2.gz SANBXFVMUMYGTP-MBSDFSHPSA-N 1 0 446.596 2.589 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164887407 721398934 /nfs/dbraw/zinc/39/89/34/721398934.db2.gz HZQLNQCNKFPMEN-IEBWSBKVSA-N 1 0 430.927 2.925 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ccc2c1 ZINC001164883954 721405618 /nfs/dbraw/zinc/40/56/18/721405618.db2.gz CTJQQOCBEBVRNY-BWKNWUBXSA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)COc4cccc(Cl)n4)C3)O2)CC1 ZINC001164886516 721421462 /nfs/dbraw/zinc/42/14/62/721421462.db2.gz JIVNMZJMJRFMNZ-YLJYHZDGSA-N 1 0 444.954 2.968 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)[nH]c-2n1 ZINC001164885267 721424554 /nfs/dbraw/zinc/42/45/54/721424554.db2.gz GLIBBGYJDOHNEI-DVECYGJZSA-N 1 0 441.576 2.505 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896225 721425359 /nfs/dbraw/zinc/42/53/59/721425359.db2.gz RFVMKPWLQDSTTQ-VGOFRKELSA-N 1 0 448.015 2.826 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)nn1 ZINC001164893674 721436365 /nfs/dbraw/zinc/43/63/65/721436365.db2.gz JXSOTMZPFOZSRP-APWZRJJASA-N 1 0 429.943 2.749 20 0 IFADRO COc1ccc2nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c(C)nc2c1 ZINC001164894875 721439927 /nfs/dbraw/zinc/43/99/27/721439927.db2.gz MUTMOGXBWDAREY-YKSBVNFPSA-N 1 0 425.577 2.712 20 0 IFADRO Cc1nc(C)c(-c2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)s1 ZINC001164899464 721444159 /nfs/dbraw/zinc/44/41/59/721444159.db2.gz YLUZAETUGXIRHL-XXBNENTESA-N 1 0 442.633 2.982 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cncc(OCC5CCCC5)n4)C3)O2)CC1 ZINC001164889631 721448379 /nfs/dbraw/zinc/44/83/79/721448379.db2.gz OLTNXCUJKXQKAA-XUZZJYLKSA-N 1 0 429.609 2.811 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(N)=O)cc(Cl)n1)CC2 ZINC001164785274 721451340 /nfs/dbraw/zinc/45/13/40/721451340.db2.gz ICQIFOBDSCJRBV-GOSISDBHSA-N 1 0 436.984 2.568 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)OC(C)C)nn1)CC2 ZINC001164786881 721453687 /nfs/dbraw/zinc/45/36/87/721453687.db2.gz OITDOVQIORBEON-HXUWFJFHSA-N 1 0 446.592 2.776 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc(SC)n1)CC2 ZINC001164783649 721455288 /nfs/dbraw/zinc/45/52/88/721455288.db2.gz CMENQUHCXLXGFO-MRXNPFEDSA-N 1 0 442.029 2.981 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(OC)cc1C(=O)OC)CC2 ZINC001164784039 721455817 /nfs/dbraw/zinc/45/58/17/721455817.db2.gz DIIIMPLMCUIXDP-LJQANCHMSA-N 1 0 447.576 2.611 20 0 IFADRO CCOC(=O)c1cccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164785237 721457368 /nfs/dbraw/zinc/45/73/68/721457368.db2.gz HPAAZGWSPXTWQW-HXUWFJFHSA-N 1 0 431.577 2.992 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc3c1CNC3=O)CC2 ZINC001164785038 721462436 /nfs/dbraw/zinc/46/24/36/721462436.db2.gz LGYVCJDVFWYWEE-QGZVFWFLSA-N 1 0 448.995 2.712 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@H](F)Oc1ccc(Cl)nn1)CC2 ZINC001164790656 721473888 /nfs/dbraw/zinc/47/38/88/721473888.db2.gz TYGKHWOZTIXWJA-XLIONFOSSA-N 1 0 442.963 2.991 20 0 IFADRO CC(C)C(=O)N[C@@H]1COCCC12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164895947 721501510 /nfs/dbraw/zinc/50/15/10/721501510.db2.gz FWYUJWAEGGBTPZ-HXUWFJFHSA-N 1 0 430.593 2.704 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2nc(Cl)c4ccccc4n2)CC3)CC1 ZINC001164794832 721509213 /nfs/dbraw/zinc/50/92/13/721509213.db2.gz DTSUNMUJIUBQEI-UHFFFAOYSA-N 1 0 447.921 2.792 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc(-c4c[nH]c5ccccc45)n2)CC3)CC1 ZINC001164794113 721513040 /nfs/dbraw/zinc/51/30/40/721513040.db2.gz GGSJQDGYFUTGPJ-UHFFFAOYSA-N 1 0 428.544 2.589 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc4c(Cl)ccnc42)CC3)CC1 ZINC001164794905 721513261 /nfs/dbraw/zinc/51/32/61/721513261.db2.gz YGLPSGAZKUXHHH-UHFFFAOYSA-N 1 0 432.359 2.901 20 0 IFADRO CSc1ccc(C(F)(F)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1Cl ZINC001164796724 721514918 /nfs/dbraw/zinc/51/49/18/721514918.db2.gz AMCNCEMKXOABLL-UHFFFAOYSA-N 1 0 442.967 2.966 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(-c4ccc(Cl)nn4)ccc2F)CC3)CC1 ZINC001164796472 721519965 /nfs/dbraw/zinc/51/99/65/721519965.db2.gz YZQXYRYUONIUCK-UHFFFAOYSA-N 1 0 441.942 2.900 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2c(Cl)ccc4c(Cl)ncnc42)CC3)CC1 ZINC001164794802 721522473 /nfs/dbraw/zinc/52/24/73/721522473.db2.gz IAGYDFHEOQDXFG-UHFFFAOYSA-N 1 0 432.359 2.901 20 0 IFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc4c(cc32)OCCO4)[C@H]2CCCO[C@@H]12 ZINC001164806633 721536301 /nfs/dbraw/zinc/53/63/01/721536301.db2.gz PKFUJWOSIZDSCK-MIZPHKNDSA-N 1 0 433.512 2.664 20 0 IFADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164912017 721548278 /nfs/dbraw/zinc/54/82/78/721548278.db2.gz YDGYEFDDQBZXAV-AEFFLSMTSA-N 1 0 439.491 2.626 20 0 IFADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164912023 721548630 /nfs/dbraw/zinc/54/86/30/721548630.db2.gz YDGYEFDDQBZXAV-WMZOPIPTSA-N 1 0 439.491 2.626 20 0 IFADRO COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(N2CCCCCC2)n1 ZINC001164905909 721552522 /nfs/dbraw/zinc/55/25/22/721552522.db2.gz HZJILNGUQBLOLN-QUCCMNQESA-N 1 0 442.539 2.742 20 0 IFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164903139 721553357 /nfs/dbraw/zinc/55/33/57/721553357.db2.gz AYLYHHQYPCGOTG-UYAOXDASSA-N 1 0 448.564 2.593 20 0 IFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)CC[N@@H+]3C2)c1 ZINC001164904718 721554364 /nfs/dbraw/zinc/55/43/64/721554364.db2.gz FKYLQCGEROEHCY-OCCSQVGLSA-N 1 0 438.841 2.984 20 0 IFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904254 721566934 /nfs/dbraw/zinc/56/69/34/721566934.db2.gz DQRMCBOJWVFWJZ-FRFSOERESA-N 1 0 434.899 2.888 20 0 IFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cn3ccccc3=O)cn2)[C@H]2CCCO[C@H]12 ZINC001164803418 721580806 /nfs/dbraw/zinc/58/08/06/721580806.db2.gz IAWITGCJPFAJLN-FBLLAGFSSA-N 1 0 431.540 2.555 20 0 IFADRO COc1cc(OC)c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1 ZINC001164805820 721590872 /nfs/dbraw/zinc/59/08/72/721590872.db2.gz LYNOCHLYOSHMFH-SXWKCWPCSA-N 1 0 435.528 2.910 20 0 IFADRO COc1cccc(CN2C[C@@H]3CCN(c4cc(C[NH+](C)C)ccn4)CC[C@H]3S2(=O)=O)c1 ZINC001164806812 721592917 /nfs/dbraw/zinc/59/29/17/721592917.db2.gz NALYNIDFUBZFDV-RBBKRZOGSA-N 1 0 444.601 2.582 20 0 IFADRO CCOC(=O)Cc1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164907623 721715880 /nfs/dbraw/zinc/71/58/80/721715880.db2.gz SAFYKVBJOYFWMY-NRFANRHFSA-N 1 0 431.487 2.715 20 0 IFADRO CC1(C)C(=O)Nc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164904890 721720928 /nfs/dbraw/zinc/72/09/28/721720928.db2.gz FHHZOLYQYNVPFY-NRFANRHFSA-N 1 0 428.487 2.839 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c2CN(Cc2ccccc2)CC3)CC1 ZINC001165008466 721731702 /nfs/dbraw/zinc/73/17/02/721731702.db2.gz OWZOCTNJPPUBOV-UHFFFAOYSA-N 1 0 448.615 2.558 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCCc4ccncc4)[C@H]3C2)nc1)C1CC1 ZINC001165014296 721754105 /nfs/dbraw/zinc/75/41/05/721754105.db2.gz XUDNWOYNUPZTRQ-VXNXHJTFSA-N 1 0 449.599 2.661 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@H]3C2)nc1)C1CC1 ZINC001165014295 721754221 /nfs/dbraw/zinc/75/42/21/721754221.db2.gz XUDNWOYNUPZTRQ-SMIHKQSGSA-N 1 0 449.599 2.661 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001165013178 721758391 /nfs/dbraw/zinc/75/83/91/721758391.db2.gz JUMNWNZTLKGIDU-KGSLCBSSSA-N 1 0 438.576 2.528 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1 ZINC001165024506 721778173 /nfs/dbraw/zinc/77/81/73/721778173.db2.gz XPRDJOZJIXJWEU-TZBSWOFLSA-N 1 0 442.604 2.863 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CN(C(=O)C(C)C)CCO3)C2)nc1 ZINC001165021770 721788274 /nfs/dbraw/zinc/78/82/74/721788274.db2.gz MOKNTJVGKZIWGP-ZJSXRUAMSA-N 1 0 430.593 2.719 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc(S(C)(=O)=O)n3)C[C@@H]21 ZINC001165022294 721798827 /nfs/dbraw/zinc/79/88/27/721798827.db2.gz IPLWOSNQQSGWAQ-HYVNUMGLSA-N 1 0 435.981 2.665 20 0 IFADRO COC(=O)Cc1c(Cl)ncnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024548 721808200 /nfs/dbraw/zinc/80/82/00/721808200.db2.gz MCKVOOOHNINGNY-IPELMVKDSA-N 1 0 429.952 2.977 20 0 IFADRO COC(=O)c1nc2cnccc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165022636 721816039 /nfs/dbraw/zinc/81/60/39/721816039.db2.gz GHBJLJRKTRMEGQ-SCWSEQNSSA-N 1 0 432.528 2.943 20 0 IFADRO CCNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165018767 721823866 /nfs/dbraw/zinc/82/38/66/721823866.db2.gz AFSXPZJOTAEIHP-IOMROCGXSA-N 1 0 429.590 2.512 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)NC4CC4)cn3)C[C@@H]21 ZINC001165024607 721824599 /nfs/dbraw/zinc/82/45/99/721824599.db2.gz KRQFCQPBQWXYAD-VOQZNFBZSA-N 1 0 441.601 2.654 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3S(=O)(=O)CC4)C[C@H]21 ZINC001165030159 721830856 /nfs/dbraw/zinc/83/08/56/721830856.db2.gz YBZBCCOGKQPNRX-QGPMSJSTSA-N 1 0 447.992 2.592 20 0 IFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3nc[nH]c3c(N(C)C)n2)CC1 ZINC001165021237 721841850 /nfs/dbraw/zinc/84/18/50/721841850.db2.gz IXXILCRTGZVOCI-UHFFFAOYSA-N 1 0 425.537 2.537 20 0 IFADRO CCOC(=O)Cc1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nn1 ZINC001165022036 721842463 /nfs/dbraw/zinc/84/24/63/721842463.db2.gz NLANQSOXIDNROJ-UHFFFAOYSA-N 1 0 428.533 2.700 20 0 IFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164927992 721856117 /nfs/dbraw/zinc/85/61/17/721856117.db2.gz MDOIGGNRGDCZSA-SFTDATJTSA-N 1 0 426.996 2.860 20 0 IFADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164926637 721873358 /nfs/dbraw/zinc/87/33/58/721873358.db2.gz SCYKMVJKYNPESZ-RTBURBONSA-N 1 0 433.597 2.572 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)COCc3cnc(-c5ccccc5)nc34)n2)CC1 ZINC001164928790 721898831 /nfs/dbraw/zinc/89/88/31/721898831.db2.gz PCODQNFIJJIPMU-SANMLTNESA-N 1 0 442.567 2.969 20 0 IFADRO CCOC(=O)c1nnc(SC)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953625 722015309 /nfs/dbraw/zinc/01/53/09/722015309.db2.gz VYVBHCKZAZWZFO-UHFFFAOYSA-N 1 0 428.562 2.658 20 0 IFADRO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nc(N4CCCC4)nc(N4CCCC4)n2)CC3)c1 ZINC001164956242 722021573 /nfs/dbraw/zinc/02/15/73/722021573.db2.gz ZXCDIEQHJGVAGG-UHFFFAOYSA-N 1 0 448.619 2.960 20 0 IFADRO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164957471 722029159 /nfs/dbraw/zinc/02/91/59/722029159.db2.gz MDIXHCJSPDHTII-NNMXDRDESA-N 1 0 428.508 2.906 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@@H]3COC[C@@H]32)nc1 ZINC001164962488 722038163 /nfs/dbraw/zinc/03/81/63/722038163.db2.gz NQQRCSMURVIJOJ-QXUYBEEESA-N 1 0 437.588 2.991 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)nc1 ZINC001164960891 722045783 /nfs/dbraw/zinc/04/57/83/722045783.db2.gz YBCOSPCFWRDMPJ-FCHUYYIVSA-N 1 0 442.604 2.863 20 0 IFADRO COC(=O)c1ccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164960492 722053332 /nfs/dbraw/zinc/05/33/32/722053332.db2.gz PNOOBVSDCQNGGZ-UHFFFAOYSA-N 1 0 447.539 2.930 20 0 IFADRO CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958962 722053594 /nfs/dbraw/zinc/05/35/94/722053594.db2.gz IGPFKECABAXZFQ-UHFFFAOYSA-N 1 0 428.508 2.911 20 0 IFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971864 722116208 /nfs/dbraw/zinc/11/62/08/722116208.db2.gz CWRVKUFVNYBAHE-RBBKRZOGSA-N 1 0 447.539 2.929 20 0 IFADRO COc1nc(-c2ccccc2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164973271 722126995 /nfs/dbraw/zinc/12/69/95/722126995.db2.gz GYCSMKALNWDOLA-LEWJYISDSA-N 1 0 432.528 2.670 20 0 IFADRO COC(=O)c1c(Cl)cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1OC ZINC001164974240 722135594 /nfs/dbraw/zinc/13/55/94/722135594.db2.gz CQVFWYWGAGHQAM-FUHWJXTLSA-N 1 0 446.935 2.653 20 0 IFADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)no1 ZINC001164982641 722139122 /nfs/dbraw/zinc/13/91/22/722139122.db2.gz RVLUKPRZHUAMRZ-CTNGQTDRSA-N 1 0 448.527 2.753 20 0 IFADRO FC(F)(COc1ccc(Cl)nn1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979609 722140490 /nfs/dbraw/zinc/14/04/90/722140490.db2.gz LNNIUMYMOFEAQR-SJORKVTESA-N 1 0 439.894 2.720 20 0 IFADRO CN(C)C(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982091 722143751 /nfs/dbraw/zinc/14/37/51/722143751.db2.gz QXPTVUAVEGMGBG-YLJYHZDGSA-N 1 0 429.952 2.559 20 0 IFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976160 722156870 /nfs/dbraw/zinc/15/68/70/722156870.db2.gz UIURIVQCQAQPDX-NXHRZFHOSA-N 1 0 445.951 2.529 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(n(C)nc3C(=O)N3CCOCC3)C2)nc1 ZINC001164971715 722160436 /nfs/dbraw/zinc/16/04/36/722160436.db2.gz DLKGIWOCZQXJDT-HXUWFJFHSA-N 1 0 438.576 2.745 20 0 IFADRO Cc1nc(CN2CCO[C@@H]3CCN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@@H]32)cs1 ZINC001164987152 722184303 /nfs/dbraw/zinc/18/43/03/722184303.db2.gz GVXRPSGMTNBXRG-LEWJYISDSA-N 1 0 428.606 2.578 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)nc1)C1CC1 ZINC001164993449 722187244 /nfs/dbraw/zinc/18/72/44/722187244.db2.gz ZUGXDLGCGGKFMN-ISKFKSNPSA-N 1 0 440.613 2.858 20 0 IFADRO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]12 ZINC001164991944 722187273 /nfs/dbraw/zinc/18/72/73/722187273.db2.gz RCTNDWAVFWTXSK-LADGPHEKSA-N 1 0 440.613 2.859 20 0 IFADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)nc(N4CCOCC4)n2)C3)c1 ZINC001164993274 722195838 /nfs/dbraw/zinc/19/58/38/722195838.db2.gz DYTJTDKKJVQDNA-OAQYLSRUSA-N 1 0 432.931 2.746 20 0 IFADRO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164997872 722218653 /nfs/dbraw/zinc/21/86/53/722218653.db2.gz SQIYPRNDQSSXEQ-XMMPIXPASA-N 1 0 434.544 2.504 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)nc1 ZINC001165001549 722239459 /nfs/dbraw/zinc/23/94/59/722239459.db2.gz IRSSDBIDKHPSBD-QHCPKHFHSA-N 1 0 435.620 2.776 20 0 IFADRO COc1cc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)cc(Cl)n1 ZINC001165000365 722251052 /nfs/dbraw/zinc/25/10/52/722251052.db2.gz OWWDNDVAFGIFFQ-UHFFFAOYSA-N 1 0 429.899 2.974 20 0 IFADRO CN(C)c1ccc(-c2ccnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)cc1 ZINC001165002578 722255599 /nfs/dbraw/zinc/25/55/99/722255599.db2.gz QOXMBONRBBITED-UHFFFAOYSA-N 1 0 435.576 2.895 20 0 IFADRO COC(=O)C[C@H](c1ccnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1)C1CC1 ZINC001165002935 722255780 /nfs/dbraw/zinc/25/57/80/722255780.db2.gz XSCMLOGHQKJHML-FQEVSTJZSA-N 1 0 441.576 2.823 20 0 IFADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1I ZINC000026749589 563036498 /nfs/dbraw/zinc/03/64/98/563036498.db2.gz OHSGGKPQDGFXBB-UHFFFAOYSA-N 1 0 449.336 2.839 20 0 IFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164390959 718821055 /nfs/dbraw/zinc/82/10/55/718821055.db2.gz RYKQRZWCXQCUIX-HOTGVXAUSA-N 1 0 438.862 2.599 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@@H]5[NH2+]CCO[C@H]5C4)c23)C1 ZINC001164389715 718824403 /nfs/dbraw/zinc/82/44/03/718824403.db2.gz JKNBRPBAASLVDY-NJAFHUGGSA-N 1 0 427.618 2.979 20 0 IFADRO Cc1nc2c(cc(-c3nc(N4CCN5CC[NH2+]C[C@H]5C4)ncc3F)cc2F)n1C(C)C ZINC001164399457 718834388 /nfs/dbraw/zinc/83/43/88/718834388.db2.gz XFIQQDVHRBLRPN-INIZCTEOSA-N 1 0 427.503 2.755 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCN5CC[NH2+]C[C@H]5C4)c23)C1 ZINC001164402704 718839930 /nfs/dbraw/zinc/83/99/30/718839930.db2.gz GJDYGDWRSFPMTA-MSOLQXFVSA-N 1 0 440.661 2.896 20 0 IFADRO C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCN5CC[NH2+]C[C@@H]5C4)c23)C1 ZINC001164402711 718840009 /nfs/dbraw/zinc/84/00/09/718840009.db2.gz GJDYGDWRSFPMTA-ZWKOTPCHSA-N 1 0 440.661 2.896 20 0 IFADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@H]3C[NH2+]C[C@]3(CO)C2)c2ccccc21 ZINC001164410259 718852432 /nfs/dbraw/zinc/85/24/32/718852432.db2.gz ZOEQRSANEJUIRF-ZUOKHONESA-N 1 0 433.890 2.852 20 0 IFADRO F[C@]1(N2CCOCC23C[NH2+]C3)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164400900 718860543 /nfs/dbraw/zinc/86/05/43/718860543.db2.gz ASMKMOCUUHYLEE-FQEVSTJZSA-N 1 0 438.334 2.596 20 0 IFADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164407780 718865238 /nfs/dbraw/zinc/86/52/38/718865238.db2.gz JUXFGMDABURHFT-RDJZCZTQSA-N 1 0 440.878 2.948 20 0 IFADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001164413761 718880913 /nfs/dbraw/zinc/88/09/13/718880913.db2.gz MGXBXBVUJDKUEQ-LLVKDONJSA-N 1 0 448.845 2.581 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164435099 718968556 /nfs/dbraw/zinc/96/85/56/718968556.db2.gz YZMHSDVGPUMXGW-ZIAGYGMSSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(C)nc(Cl)n1)C2 ZINC001164433087 718969049 /nfs/dbraw/zinc/96/90/49/718969049.db2.gz JNTAKEZRRVJJNM-ZIAGYGMSSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164434854 718969258 /nfs/dbraw/zinc/96/92/58/718969258.db2.gz WGWUFNHRITYVNS-ZIAGYGMSSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(C)nnc1Cl)C2 ZINC001164431792 718971225 /nfs/dbraw/zinc/97/12/25/718971225.db2.gz BOPXATBSYAOPFB-UONOGXRCSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)nc1OC)C2 ZINC001164617063 719010178 /nfs/dbraw/zinc/01/01/78/719010178.db2.gz LWSUILBYSVOFPU-AUUYWEPGSA-N 1 0 444.910 2.833 20 0 IFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)c2cc(OC)ccc2n1 ZINC001164620251 719018214 /nfs/dbraw/zinc/01/82/14/719018214.db2.gz YAXAJTBVASHOAL-ONERCXAPSA-N 1 0 426.851 2.567 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3C(=O)Nc3cc(C)on3)CC2)CC1 ZINC001164618595 719031613 /nfs/dbraw/zinc/03/16/13/719031613.db2.gz VBVULRWHCPNYLE-UHFFFAOYSA-N 1 0 441.532 2.874 20 0 IFADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001164622632 719046823 /nfs/dbraw/zinc/04/68/23/719046823.db2.gz LAOAKLXIDHHGPP-SJLPKXTDSA-N 1 0 442.919 2.511 20 0 IFADRO O=S(=O)(c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1)N1CCCC1 ZINC001164626875 719097362 /nfs/dbraw/zinc/09/73/62/719097362.db2.gz JMRLXVQRMRFMOX-IFMALSPDSA-N 1 0 426.586 2.967 20 0 IFADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@H]2CF)CC1 ZINC001164621748 719122850 /nfs/dbraw/zinc/12/28/50/719122850.db2.gz NHTRGIRBODXFEQ-GDBMZVCRSA-N 1 0 431.581 2.525 20 0 IFADRO COC(=O)c1cc2ccc(N3C[C@H](C)[N@H+](C)C[C@H]3C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164639384 719210236 /nfs/dbraw/zinc/21/02/36/719210236.db2.gz PYVFBHFRJCIWGL-JKSUJKDBSA-N 1 0 442.541 2.589 20 0 IFADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c2c1C ZINC001164637230 719237579 /nfs/dbraw/zinc/23/75/79/719237579.db2.gz UVXMYZZHIDSCFM-HUUCEWRRSA-N 1 0 447.605 2.537 20 0 IFADRO CC(C)C[NH+]1CCN(c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@@H](CO)C2)CC1 ZINC001164657594 719335531 /nfs/dbraw/zinc/33/55/31/719335531.db2.gz TWFRMDCAWGPYPU-LJQANCHMSA-N 1 0 431.625 2.658 20 0 IFADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1C ZINC001164670194 719445692 /nfs/dbraw/zinc/44/56/92/719445692.db2.gz NSEMUBYFXGWMDS-IAGOWNOFSA-N 1 0 438.553 2.896 20 0 IFADRO Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)nc4c2CC[NH2+]C4)CC3)cc1 ZINC001164673863 719498350 /nfs/dbraw/zinc/49/83/50/719498350.db2.gz SKFPQZZTIUPCQN-UHFFFAOYSA-N 1 0 431.943 2.786 20 0 IFADRO CCOC(=O)c1c2ccccn2c2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c21 ZINC001164686311 719604127 /nfs/dbraw/zinc/60/41/27/719604127.db2.gz ZYMYOOYIFIJEQZ-UHFFFAOYSA-N 1 0 447.543 2.731 20 0 IFADRO CC(C)N(C)Cc1nn(-c2ncnc3c2ccn3COC(=O)C(C)(C)C)c2c1CC[NH2+]C2 ZINC001164681203 719623616 /nfs/dbraw/zinc/62/36/16/719623616.db2.gz CYAWXMXZBIPINR-UHFFFAOYSA-N 1 0 439.564 2.650 20 0 IFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679541 719638462 /nfs/dbraw/zinc/63/84/62/719638462.db2.gz FZKPYRLVSVCBPA-UHFFFAOYSA-N 1 0 427.883 2.802 20 0 IFADRO CN(C)c1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164680205 719656674 /nfs/dbraw/zinc/65/66/74/719656674.db2.gz DEWIQYQGAGXWJK-IBGZPJMESA-N 1 0 436.604 2.636 20 0 IFADRO Cc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C(N)=O ZINC001164680797 719665716 /nfs/dbraw/zinc/66/57/16/719665716.db2.gz HPWQWBRXEKZLEX-IBGZPJMESA-N 1 0 449.599 2.582 20 0 IFADRO COCc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684355 719667115 /nfs/dbraw/zinc/66/71/15/719667115.db2.gz TUJWJLRHFIEHEC-LJQANCHMSA-N 1 0 437.588 2.716 20 0 IFADRO COc1nc(C)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686860 719669445 /nfs/dbraw/zinc/66/94/45/719669445.db2.gz YNBZXUUIPMMCLM-IBGZPJMESA-N 1 0 437.588 2.887 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164690636 719759284 /nfs/dbraw/zinc/75/92/84/719759284.db2.gz GLFPDJSRZWDOTR-UHFFFAOYSA-N 1 0 444.939 2.551 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](N3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164703706 719876759 /nfs/dbraw/zinc/87/67/59/719876759.db2.gz KFIIETLZZGTNIA-YZUZCNPQSA-N 1 0 430.593 2.861 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@H]3C2)nc1 ZINC001164703094 719922553 /nfs/dbraw/zinc/92/25/53/719922553.db2.gz IPYBADGGOYPEBV-CIAFKFPVSA-N 1 0 428.577 2.881 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001164810978 720074425 /nfs/dbraw/zinc/07/44/25/720074425.db2.gz MNAPQFFMLORQCX-IFXJQAMLSA-N 1 0 428.911 2.564 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(N)=O)cc(Cl)n1)CC2 ZINC001164709608 720097207 /nfs/dbraw/zinc/09/72/07/720097207.db2.gz BGRFTMYPKAIVQK-GOSISDBHSA-N 1 0 429.952 2.736 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1N1CCOCC1)C2 ZINC001164812091 720112613 /nfs/dbraw/zinc/11/26/13/720112613.db2.gz OMAOXOAJZHLBDD-NLFFAJNJSA-N 1 0 437.588 2.651 20 0 IFADRO CCOC(=O)c1cncc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714298 720115496 /nfs/dbraw/zinc/11/54/96/720115496.db2.gz BQHAIPFCDUUEIV-LJQANCHMSA-N 1 0 425.533 2.556 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1C(N)=O)CC2 ZINC001164714304 720119246 /nfs/dbraw/zinc/11/92/46/720119246.db2.gz BSQYTRDTMZOSLK-QGZVFWFLSA-N 1 0 429.952 2.736 20 0 IFADRO CNC(=O)c1nc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ccc1Cl ZINC001164715524 720127270 /nfs/dbraw/zinc/12/72/70/720127270.db2.gz GYJKRLPHEQAPNU-GOSISDBHSA-N 1 0 443.979 2.997 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1C(C)(C)C(=O)N3)CC2 ZINC001164711773 720137191 /nfs/dbraw/zinc/13/71/91/720137191.db2.gz KABOBUWPWLHBQD-SFHVURJKSA-N 1 0 436.560 2.609 20 0 IFADRO CCOC(=O)c1nccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713109 720147103 /nfs/dbraw/zinc/14/71/03/720147103.db2.gz RARURTFSYZTABO-IBGZPJMESA-N 1 0 425.533 2.556 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)N(C)OC)ccn1)CC2 ZINC001164713537 720148455 /nfs/dbraw/zinc/14/84/55/720148455.db2.gz RMGSQJDQCGOVSE-NRFANRHFSA-N 1 0 439.560 2.618 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(NC(N)=S)cn1)CC2 ZINC001164713605 720150679 /nfs/dbraw/zinc/15/06/79/720150679.db2.gz SRYBCPOVFIYBMV-IBGZPJMESA-N 1 0 426.590 2.640 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[nH]cc(C(=O)OC)c31)C2 ZINC001164816735 720158568 /nfs/dbraw/zinc/15/85/68/720158568.db2.gz MMWPPPQIXPOEEI-SPLOXXLWSA-N 1 0 433.940 2.583 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)Oc1ccc(Cl)nc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719910 720174970 /nfs/dbraw/zinc/17/49/70/720174970.db2.gz YRCUCVGMPDIOOX-INIZCTEOSA-N 1 0 442.898 2.504 20 0 IFADRO Cn1nnc2c1CCN(c1ncnc3cc(Cl)ccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716499 720175934 /nfs/dbraw/zinc/17/59/34/720175934.db2.gz FXKSMJFUBGBBTE-LJQANCHMSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1cnc3cc(Cl)ccc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716598 720177283 /nfs/dbraw/zinc/17/72/83/720177283.db2.gz INNZIGWSGILHFW-LJQANCHMSA-N 1 0 427.940 2.628 20 0 IFADRO CCc1cc2c(ncnc2N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)s1 ZINC001164715933 720180659 /nfs/dbraw/zinc/18/06/59/720180659.db2.gz DTFSHSAAGCIZPY-SFHVURJKSA-N 1 0 427.578 2.598 20 0 IFADRO Cc1nc2cc(Cl)ccc2c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164716566 720182828 /nfs/dbraw/zinc/18/28/28/720182828.db2.gz HUILDWBHOILKPB-FQEVSTJZSA-N 1 0 441.967 2.936 20 0 IFADRO Cc1ccc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1Cl ZINC001164715466 720184535 /nfs/dbraw/zinc/18/45/35/720184535.db2.gz CPWVWQYFUVBKPB-MRXNPFEDSA-N 1 0 440.926 2.933 20 0 IFADRO COc1ccc2c(C)cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2c1 ZINC001164718350 720187904 /nfs/dbraw/zinc/18/79/04/720187904.db2.gz OXRBZWFCOURAAY-JOCHJYFZSA-N 1 0 436.560 2.897 20 0 IFADRO CCc1cc2c(nc(Cl)nc2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)[nH]1 ZINC001164716633 720193620 /nfs/dbraw/zinc/19/36/20/720193620.db2.gz QJZAZQNUKJXBEN-QGZVFWFLSA-N 1 0 444.971 2.518 20 0 IFADRO Cn1nnc2c1CCN(c1ncnc3sc4c(c31)CCC4)[C@H]2COCC[NH+]1CCCC1 ZINC001164718234 720196287 /nfs/dbraw/zinc/19/62/87/720196287.db2.gz YWUJJXMYGQGUKN-KRWDZBQOSA-N 1 0 439.589 2.525 20 0 IFADRO Cn1nnc2c1CCN(c1cc(-c3cccs3)ncn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714009 720198730 /nfs/dbraw/zinc/19/87/30/720198730.db2.gz FQSFPZZMKCJUFE-GOSISDBHSA-N 1 0 425.562 2.550 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nc(C(=O)OC)nc1Cl)C2 ZINC001164810794 720200698 /nfs/dbraw/zinc/20/06/98/720200698.db2.gz CPTPWJHDFBDVQN-DJJJIMSYSA-N 1 0 429.348 2.755 20 0 IFADRO CCc1nc2sccc2c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164714531 720201385 /nfs/dbraw/zinc/20/13/85/720201385.db2.gz GGRVEXNSWDBPQF-KRWDZBQOSA-N 1 0 427.578 2.598 20 0 IFADRO Cn1nnc2c1CCN(c1nccnc1Oc1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716067 720201998 /nfs/dbraw/zinc/20/19/98/720201998.db2.gz OYUQADBYSBWMCA-HXUWFJFHSA-N 1 0 435.532 2.614 20 0 IFADRO Cn1nnc2c1CCN(c1ccc(-c3ccsc3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715643 720202416 /nfs/dbraw/zinc/20/24/16/720202416.db2.gz LQBOFXXBUNYJIN-IBGZPJMESA-N 1 0 425.562 2.550 20 0 IFADRO CCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1C(=O)OCC ZINC001164812132 720203463 /nfs/dbraw/zinc/20/34/63/720203463.db2.gz KXLSXGGKTAHFDF-HOYKHHGWSA-N 1 0 445.560 2.620 20 0 IFADRO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)c1C(=O)OCC ZINC001164812134 720204376 /nfs/dbraw/zinc/20/43/76/720204376.db2.gz KXLSXGGKTAHFDF-KOSHJBKYSA-N 1 0 445.560 2.620 20 0 IFADRO Cn1nnc2c1CCN(c1nc(C3CCC3)nc3[nH]ccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716767 720207316 /nfs/dbraw/zinc/20/73/16/720207316.db2.gz DVQZOLKUHGVJHS-LJQANCHMSA-N 1 0 436.564 2.570 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccnc(NC(=O)OC(C)(C)C)n1)CCC2 ZINC001164814063 720219217 /nfs/dbraw/zinc/21/92/17/720219217.db2.gz RXCVMXPOPSBTEP-UHFFFAOYSA-N 1 0 443.552 2.631 20 0 IFADRO COc1ccccc1-c1ccnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813995 720238598 /nfs/dbraw/zinc/23/85/98/720238598.db2.gz STJYHFNWOXFNRV-UHFFFAOYSA-N 1 0 434.544 2.959 20 0 IFADRO Cc1nc(-c2ccccn2)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1C ZINC001164814625 720242704 /nfs/dbraw/zinc/24/27/04/720242704.db2.gz ZPLRKBLRGKEHIE-UHFFFAOYSA-N 1 0 433.560 2.963 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2C(=O)N2CCCCC2)CC1 ZINC001164828273 720294050 /nfs/dbraw/zinc/29/40/50/720294050.db2.gz ZRULAGKJJVKNNI-FCHUYYIVSA-N 1 0 439.604 2.619 20 0 IFADRO CCOC(=O)c1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1Cl ZINC001164827410 720295174 /nfs/dbraw/zinc/29/51/74/720295174.db2.gz XOZBASVHOOFJLM-MOPGFXCFSA-N 1 0 434.968 2.823 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C(=O)OC(C)(C)C)ccn2)CC1 ZINC001164821310 720300098 /nfs/dbraw/zinc/30/00/98/720300098.db2.gz JVXVEPVDNCGVGS-PMACEKPBSA-N 1 0 428.577 2.948 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2CSCC3)CC1 ZINC001164822672 720300270 /nfs/dbraw/zinc/30/02/70/720300270.db2.gz ODOLQSFIXZYNIA-ZWKOTPCHSA-N 1 0 436.025 2.831 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(CC(=O)NC)C3)nc1 ZINC001164722366 720304922 /nfs/dbraw/zinc/30/49/22/720304922.db2.gz KREHRPBJJIDFKB-RCZVLFRGSA-N 1 0 443.636 2.683 20 0 IFADRO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164724004 720315191 /nfs/dbraw/zinc/31/51/91/720315191.db2.gz PYPATADYQOXNPN-HXUWFJFHSA-N 1 0 426.565 2.574 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C(=O)NC(C)(C)C)cn2)CC1 ZINC001164823308 720319079 /nfs/dbraw/zinc/31/90/79/720319079.db2.gz AKNRRGYBNXZOJC-WOJBJXKFSA-N 1 0 427.593 2.521 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164833970 720324317 /nfs/dbraw/zinc/32/43/17/720324317.db2.gz YJPNVCZNLULZOX-UXHICEINSA-N 1 0 428.577 2.787 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cncc(OCC3CCCC3)n2)CC1 ZINC001164829738 720352110 /nfs/dbraw/zinc/35/21/10/720352110.db2.gz UEPDAEVHOANUTL-NHCUHLMSSA-N 1 0 427.593 2.957 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(C(N)=S)c3ccsc32)CC1 ZINC001164831632 720355059 /nfs/dbraw/zinc/35/50/59/720355059.db2.gz ZGJGXGFOQHSXJC-ZWKOTPCHSA-N 1 0 443.642 2.842 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(C(N)=S)c3ccsc32)CC1 ZINC001164831628 720355217 /nfs/dbraw/zinc/35/52/17/720355217.db2.gz ZGJGXGFOQHSXJC-MSOLQXFVSA-N 1 0 443.642 2.842 20 0 IFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1C ZINC001164731513 720428320 /nfs/dbraw/zinc/42/83/20/720428320.db2.gz LITDLMFUPVULHS-HZPDHXFCSA-N 1 0 426.908 2.657 20 0 IFADRO COC(=O)c1ccc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2c1 ZINC001164834682 720516652 /nfs/dbraw/zinc/51/66/52/720516652.db2.gz HCHZXCZVJMZCMU-JAXLGGSGSA-N 1 0 434.544 2.991 20 0 IFADRO COC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164832960 720517636 /nfs/dbraw/zinc/51/76/36/720517636.db2.gz CDTNGGPVBAKVLE-WOIUINJBSA-N 1 0 434.544 2.991 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4cc5c(cc43)OCCO5)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833773 720518539 /nfs/dbraw/zinc/51/85/39/720518539.db2.gz DRIHFGGIDUAYMS-BBTUJRGHSA-N 1 0 434.544 2.975 20 0 IFADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839107 720521428 /nfs/dbraw/zinc/52/14/28/720521428.db2.gz SVRSINCYMGJJDJ-ZIFCJYIRSA-N 1 0 437.548 2.709 20 0 IFADRO COC(=O)c1cc2ccncc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842561 720554900 /nfs/dbraw/zinc/55/49/00/720554900.db2.gz YIGNYURBMFUCCV-NNMXDRDESA-N 1 0 434.544 2.991 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)c(F)c4c3C(=O)NC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837985 720555650 /nfs/dbraw/zinc/55/56/50/720555650.db2.gz NCQNYRRBWZSUTQ-IJEWVQPXSA-N 1 0 432.931 2.692 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839970 720644477 /nfs/dbraw/zinc/64/44/77/720644477.db2.gz LOZVAKDQSZCQKR-FCGDIQPGSA-N 1 0 446.983 2.872 20 0 IFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843246 720646719 /nfs/dbraw/zinc/64/67/19/720646719.db2.gz VTGBTOZMUGTRFT-XMTFNYHQSA-N 1 0 446.983 2.981 20 0 IFADRO c1cn(Cc2ccccc2)c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164741950 720711531 /nfs/dbraw/zinc/71/15/31/720711531.db2.gz USJMNUBUTJBMMW-PMACEKPBSA-N 1 0 427.512 2.612 20 0 IFADRO CCNS(=O)(=O)c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164836476 720712154 /nfs/dbraw/zinc/71/21/54/720712154.db2.gz BETBZQYFBQLDBJ-HXUWFJFHSA-N 1 0 444.601 2.640 20 0 IFADRO Cc1ccc(-c2nc3c(ncnc3N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)o2)cc1 ZINC001164747007 720768972 /nfs/dbraw/zinc/76/89/72/720768972.db2.gz ZQMPSCYAZCJMGK-ZWKOTPCHSA-N 1 0 429.484 2.725 20 0 IFADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747515 720808719 /nfs/dbraw/zinc/80/87/19/720808719.db2.gz OKFZAJCLMMPWQM-GBESFXJTSA-N 1 0 444.967 2.883 20 0 IFADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747513 720808923 /nfs/dbraw/zinc/80/89/23/720808923.db2.gz OKFZAJCLMMPWQM-CEXWTWQISA-N 1 0 444.967 2.883 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1OC ZINC001164745063 720817348 /nfs/dbraw/zinc/81/73/48/720817348.db2.gz VZSMLBLDJRNJTJ-WAOWUJCRSA-N 1 0 449.559 2.618 20 0 IFADRO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CCCC2 ZINC001164739841 720818096 /nfs/dbraw/zinc/81/80/96/720818096.db2.gz IZSRWAAQJFGQCL-MBOZVWFJSA-N 1 0 427.984 2.980 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c(OC)c1 ZINC001164747351 720832932 /nfs/dbraw/zinc/83/29/32/720832932.db2.gz QINRAHNATXSDOE-DBXWQHBBSA-N 1 0 449.559 2.618 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164748064 720834812 /nfs/dbraw/zinc/83/48/12/720834812.db2.gz SJAMRMPAMSQYQO-PWRODBHTSA-N 1 0 438.576 2.846 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750253 720838267 /nfs/dbraw/zinc/83/82/67/720838267.db2.gz WXAPPCIMDOSBQR-LLGFUMIMSA-N 1 0 437.523 2.748 20 0 IFADRO COC(OC)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748317 720840944 /nfs/dbraw/zinc/84/09/44/720840944.db2.gz UDTLRACMZKMLPP-SFHLNBCPSA-N 1 0 426.565 2.652 20 0 IFADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)c1Cl ZINC001164852573 720844148 /nfs/dbraw/zinc/84/41/48/720844148.db2.gz KYHDCUJWMLVDJT-ZFWWWQNUSA-N 1 0 432.348 2.739 20 0 IFADRO COC(=O)c1ccc2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164750416 720844512 /nfs/dbraw/zinc/84/45/12/720844512.db2.gz XLCWLDDFOKIJCD-XPWALMASSA-N 1 0 446.555 2.992 20 0 IFADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccncc2)n1 ZINC001164751816 720845031 /nfs/dbraw/zinc/84/50/31/720845031.db2.gz YVCHFAUZUVDTBS-FDFHNCONSA-N 1 0 430.560 2.818 20 0 IFADRO CC1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)CC1 ZINC001164749392 720848377 /nfs/dbraw/zinc/84/83/77/720848377.db2.gz VTMKNZQWVNYVEM-YPAWHYETSA-N 1 0 436.608 2.684 20 0 IFADRO CC1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)CC1 ZINC001164749384 720848500 /nfs/dbraw/zinc/84/85/00/720848500.db2.gz VTMKNZQWVNYVEM-BHIFYINESA-N 1 0 436.608 2.684 20 0 IFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164860151 720852018 /nfs/dbraw/zinc/85/20/18/720852018.db2.gz VPMLXSSJDYLHIU-MAUKXSAKSA-N 1 0 448.951 2.633 20 0 IFADRO CCOc1cc2ncnc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)c2cc1OCC ZINC001164854977 720855470 /nfs/dbraw/zinc/85/54/70/720855470.db2.gz LXJNOHVTIRZDRJ-HTAPYJJXSA-N 1 0 430.549 2.601 20 0 IFADRO CCCSc1ncnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1OC ZINC001164747693 720859643 /nfs/dbraw/zinc/85/96/43/720859643.db2.gz JAXQMLNQPNHAKN-GBESFXJTSA-N 1 0 443.621 2.958 20 0 IFADRO CSc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(SC)n1 ZINC001164744850 720859779 /nfs/dbraw/zinc/85/97/79/720859779.db2.gz CLIBIGXBNLUOQU-YESZJQIVSA-N 1 0 431.635 2.891 20 0 IFADRO COc1cc(C)c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164752741 720861867 /nfs/dbraw/zinc/86/18/67/720861867.db2.gz UNKNRVMKOJTAOJ-NNMXDRDESA-N 1 0 433.560 2.918 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001164856022 720863175 /nfs/dbraw/zinc/86/31/75/720863175.db2.gz NPWAUZZYWSOXTE-CRAIPNDOSA-N 1 0 425.957 2.864 20 0 IFADRO CCOC(=O)c1cc2c(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164851581 720863211 /nfs/dbraw/zinc/86/32/11/720863211.db2.gz BCWLTKVRSJTEAF-YLJYHZDGSA-N 1 0 430.549 2.530 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)CC[C@@H]2C1 ZINC001164853145 720864980 /nfs/dbraw/zinc/86/49/80/720864980.db2.gz GOWAUNUAKAAAEY-PBHICJAKSA-N 1 0 437.903 2.630 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)CC[C@@H]2C1 ZINC001164854501 720871041 /nfs/dbraw/zinc/87/10/41/720871041.db2.gz KHZPCBXVZZPTHO-FGZHOGPDSA-N 1 0 434.540 2.898 20 0 IFADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c(Cl)n1 ZINC001164854518 720871070 /nfs/dbraw/zinc/87/10/70/720871070.db2.gz KIPYRIPLWPTVBW-RHSMWYFYSA-N 1 0 447.910 2.630 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)CC[C@H]2C1 ZINC001164854497 720871341 /nfs/dbraw/zinc/87/13/41/720871341.db2.gz KHZPCBXVZZPTHO-FCHUYYIVSA-N 1 0 434.540 2.898 20 0 IFADRO O=C1Cc2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2N1 ZINC001164750031 720876198 /nfs/dbraw/zinc/87/61/98/720876198.db2.gz IKSIZSNHNJQSQZ-OFVILXPXSA-N 1 0 433.556 2.726 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)CC[C@@H]2C1 ZINC001164861196 720885491 /nfs/dbraw/zinc/88/54/91/720885491.db2.gz PGPFPKONTJYDNS-CABCVRRESA-N 1 0 443.882 2.503 20 0 IFADRO Cn1cnc2cnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164758152 720886174 /nfs/dbraw/zinc/88/61/74/720886174.db2.gz XEIJVDVADWGJCK-HYBUGGRVSA-N 1 0 433.560 2.513 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)CC[C@H]2C1 ZINC001164855086 720887567 /nfs/dbraw/zinc/88/75/67/720887567.db2.gz GILLVJNGEYMPOJ-AZUAARDMSA-N 1 0 432.952 2.883 20 0 IFADRO O=C1COc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2N1 ZINC001164757487 720888809 /nfs/dbraw/zinc/88/88/09/720888809.db2.gz VEHLUMXLPBHRGZ-CJFMBICVSA-N 1 0 449.555 2.563 20 0 IFADRO COc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1OC ZINC001164756819 720889081 /nfs/dbraw/zinc/88/90/81/720889081.db2.gz RDSOWWMQTYHIAU-GBXCKJPGSA-N 1 0 439.560 2.644 20 0 IFADRO COc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1OC ZINC001164756821 720889115 /nfs/dbraw/zinc/88/91/15/720889115.db2.gz RDSOWWMQTYHIAU-RDPSFJRHSA-N 1 0 439.560 2.644 20 0 IFADRO O=C1COc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2N1 ZINC001164757488 720889252 /nfs/dbraw/zinc/88/92/52/720889252.db2.gz VEHLUMXLPBHRGZ-CPJSRVTESA-N 1 0 449.555 2.563 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(Cl)nnc(Cl)c3N3CCCCC3)CC[C@H]2C1 ZINC001164861440 720893149 /nfs/dbraw/zinc/89/31/49/720893149.db2.gz XVYCUTQYFACBLP-JKSUJKDBSA-N 1 0 444.407 2.947 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(Cl)nnc(Cl)c3N3CCCCC3)CC[C@@H]2C1 ZINC001164861430 720893245 /nfs/dbraw/zinc/89/32/45/720893245.db2.gz XVYCUTQYFACBLP-HZPDHXFCSA-N 1 0 444.407 2.947 20 0 IFADRO C[C@@H]1C(=O)Nc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164753912 720894643 /nfs/dbraw/zinc/89/46/43/720894643.db2.gz HUZVUTKSBZLUBU-WVFSIPRWSA-N 1 0 448.571 2.682 20 0 IFADRO c1cn(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cn1 ZINC001164749941 720897510 /nfs/dbraw/zinc/89/75/10/720897510.db2.gz BAFZUOYDGWKTCC-RDGATRHJSA-N 1 0 445.571 2.812 20 0 IFADRO Cc1ccc(C(N)=O)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164749805 720908606 /nfs/dbraw/zinc/90/86/06/720908606.db2.gz ILNOEZYGGIMLFJ-SQJMNOBHSA-N 1 0 435.572 2.639 20 0 IFADRO CCNC(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164753138 720908782 /nfs/dbraw/zinc/90/87/82/720908782.db2.gz QIHXWKILQJTASY-ZEQKJWHPSA-N 1 0 449.599 2.981 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164750714 720947731 /nfs/dbraw/zinc/94/77/31/720947731.db2.gz MVUZYDVJVQGWOT-UHFFFAOYSA-N 1 0 426.908 2.639 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164751452 720954946 /nfs/dbraw/zinc/95/49/46/720954946.db2.gz PPEZRVGJXZWPET-UHFFFAOYSA-N 1 0 426.908 2.639 20 0 IFADRO COc1ccc2c(cc(Cl)nc2N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1 ZINC001164752262 720959728 /nfs/dbraw/zinc/95/97/28/720959728.db2.gz UXWGLUDZRBWZEN-UHFFFAOYSA-N 1 0 429.908 2.739 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164753781 720965048 /nfs/dbraw/zinc/96/50/48/720965048.db2.gz KHGISUXRWOUPDA-UHFFFAOYSA-N 1 0 426.908 2.639 20 0 IFADRO COc1cc2c(cc(Cl)nc2N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)cc1F ZINC001164754172 720971154 /nfs/dbraw/zinc/97/11/54/720971154.db2.gz OBFMLGTXSUKIMI-UHFFFAOYSA-N 1 0 447.898 2.878 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)[C@@H]2C ZINC001164864214 721006608 /nfs/dbraw/zinc/00/66/08/721006608.db2.gz ZTGDJTIFEDRASC-MRXNPFEDSA-N 1 0 439.564 2.530 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)[C@H]2C ZINC001164859690 721007315 /nfs/dbraw/zinc/00/73/15/721007315.db2.gz LJKNTLXNUQJBGA-INIZCTEOSA-N 1 0 446.983 2.825 20 0 IFADRO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]12 ZINC001164758004 721023423 /nfs/dbraw/zinc/02/34/23/721023423.db2.gz HLULYRRMUWVDCD-VJBWXMMDSA-N 1 0 435.572 2.620 20 0 IFADRO CCOC(=O)c1nc2ccccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870473 721052891 /nfs/dbraw/zinc/05/28/91/721052891.db2.gz VZNVJXUMRJSKIX-MOPGFXCFSA-N 1 0 433.512 2.681 20 0 IFADRO COC(=O)c1ccc2nc(Cl)c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2c1 ZINC001164767439 721082588 /nfs/dbraw/zinc/08/25/88/721082588.db2.gz LTQVDIGBMNGPJO-IRXDYDNUSA-N 1 0 440.935 2.762 20 0 IFADRO COC(=O)c1ccc2nc(Cl)c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2c1 ZINC001164767440 721083023 /nfs/dbraw/zinc/08/30/23/721083023.db2.gz LTQVDIGBMNGPJO-SJORKVTESA-N 1 0 440.935 2.762 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C(=O)NCc4ccccc4)C[C@@H]3C2)cn1 ZINC001164773097 721085060 /nfs/dbraw/zinc/08/50/60/721085060.db2.gz WATBHAFEDVUSIH-YADHBBJMSA-N 1 0 430.556 2.703 20 0 IFADRO COc1cc2nc(Cl)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OC ZINC001164771394 721108443 /nfs/dbraw/zinc/10/84/43/721108443.db2.gz SNQPUKCBPBZMEI-CVEARBPZSA-N 1 0 442.951 2.992 20 0 IFADRO CCOC(=O)c1cc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2s1 ZINC001164864850 721114798 /nfs/dbraw/zinc/11/47/98/721114798.db2.gz GVVVXOWGVIRTBK-SJORKVTESA-N 1 0 439.541 2.743 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164771362 721116306 /nfs/dbraw/zinc/11/63/06/721116306.db2.gz SHGPYVQSXCPNOF-DHIUTWEWSA-N 1 0 443.599 2.727 20 0 IFADRO COc1nc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879893 721131175 /nfs/dbraw/zinc/13/11/75/721131175.db2.gz VBQYGHHGHYMJOW-GJZGRUSLSA-N 1 0 425.867 2.558 20 0 IFADRO Cc1cc(NC(=O)c2cccnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)no1 ZINC001164875514 721137588 /nfs/dbraw/zinc/13/75/88/721137588.db2.gz LRXBHPRUYABFAC-MOPGFXCFSA-N 1 0 434.500 2.505 20 0 IFADRO c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[N@@H+]3C2)c1 ZINC001164880430 721148019 /nfs/dbraw/zinc/14/80/19/721148019.db2.gz WOJKBFWDWFRONL-LEWJYISDSA-N 1 0 445.523 2.790 20 0 IFADRO c1cncc(CO[C@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164875305 721166505 /nfs/dbraw/zinc/16/65/05/721166505.db2.gz KTUAQDBRGPUCJW-SFTDATJTSA-N 1 0 428.540 2.902 20 0 IFADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164770959 721172067 /nfs/dbraw/zinc/17/20/67/721172067.db2.gz PJULVCJVZRGEKL-LEWJYISDSA-N 1 0 447.587 2.707 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)C[C@H]3C2)cn1 ZINC001164767813 721181321 /nfs/dbraw/zinc/18/13/21/721181321.db2.gz KPSWLRSICKZFDP-LSDHHAIUSA-N 1 0 433.894 2.915 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CCc5ccccc54)C[C@H]3C2)cn1 ZINC001164771475 721194238 /nfs/dbraw/zinc/19/42/38/721194238.db2.gz QIPQNPAYZCPBCI-FGZHOGPDSA-N 1 0 442.567 2.976 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C[C@H]3C2)cn1 ZINC001164773340 721203213 /nfs/dbraw/zinc/20/32/13/721203213.db2.gz WIPKLNIXDHBLNZ-VQTJNVASSA-N 1 0 432.528 2.607 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C[C@H]3C2)cn1 ZINC001164773341 721203655 /nfs/dbraw/zinc/20/36/55/721203655.db2.gz WIPKLNIXDHBLNZ-WOJBJXKFSA-N 1 0 432.528 2.607 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@](F)(COc4cncc(Cl)n4)C(F)F)C[C@@H]3C2)cn1 ZINC001164770127 721213926 /nfs/dbraw/zinc/21/39/26/721213926.db2.gz NKNROIFLKRRMMJ-ZRGWGRIASA-N 1 0 444.889 2.627 20 0 IFADRO COc1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)c(OC)c1 ZINC001164769185 721217620 /nfs/dbraw/zinc/21/76/20/721217620.db2.gz LVJDSDOUZMRHGQ-MOPGFXCFSA-N 1 0 434.544 2.853 20 0 IFADRO CC(C)c1cc2c(ncnc2N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)s1 ZINC001164875808 721261494 /nfs/dbraw/zinc/26/14/94/721261494.db2.gz MKOBJKABZMMLAE-UHFFFAOYSA-N 1 0 431.606 2.822 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4c3ccn4C3CCCC3)CC2)C1 ZINC001164872971 721275536 /nfs/dbraw/zinc/27/55/36/721275536.db2.gz KGWXRDQZZGMGPY-UHFFFAOYSA-N 1 0 440.592 2.553 20 0 IFADRO COc1ccc2c(cc(Cl)nc2N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1 ZINC001164873331 721278540 /nfs/dbraw/zinc/27/85/40/721278540.db2.gz LIQKSUUHNFACFJ-UHFFFAOYSA-N 1 0 446.979 2.904 20 0 IFADRO CC(C)n1ccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164874288 721281743 /nfs/dbraw/zinc/28/17/43/721281743.db2.gz PGJBCMWTVDZZFG-UHFFFAOYSA-N 1 0 448.999 2.673 20 0 IFADRO Cc1nc(C2CCCCC2)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164872944 721281860 /nfs/dbraw/zinc/28/18/60/721281860.db2.gz IWAUNFOXZGWOBF-UHFFFAOYSA-N 1 0 429.609 2.840 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(-c4cccc(Cl)c4)ncn3)CC2)C1 ZINC001164879628 721287457 /nfs/dbraw/zinc/28/74/57/721287457.db2.gz XPQXUAVFSWFJIR-UHFFFAOYSA-N 1 0 443.979 2.804 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc(Cl)nc3-c3ccccc3)CC2)C1 ZINC001164874949 721288581 /nfs/dbraw/zinc/28/85/81/721288581.db2.gz FNJPSVUOZRWXBC-UHFFFAOYSA-N 1 0 443.979 2.804 20 0 IFADRO O=C(c1cccnc1N1CC2(C1)CC[N@H+](CC1CC1)C2)N1CCN(Cc2ccccc2)CC1 ZINC001164769677 721293251 /nfs/dbraw/zinc/29/32/51/721293251.db2.gz LEDBRZCYPNEFQV-UHFFFAOYSA-N 1 0 445.611 2.962 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)ncc3C(N)=O)C2)C1 ZINC001164778078 721335282 /nfs/dbraw/zinc/33/52/82/721335282.db2.gz UGIFDFNIGYTPCZ-NRFANRHFSA-N 1 0 433.940 2.558 20 0 IFADRO O=C(c1ccccc1)N1CCO[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2C1 ZINC001164883798 721350529 /nfs/dbraw/zinc/35/05/29/721350529.db2.gz MCCVWUIVKWOADH-YADHBBJMSA-N 1 0 436.556 2.534 20 0 IFADRO CCOC(=O)Cc1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164778770 721351310 /nfs/dbraw/zinc/35/13/10/721351310.db2.gz OLHRHZPXJUUALG-XMMPIXPASA-N 1 0 442.560 2.911 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)C2)C1 ZINC001164776438 721352401 /nfs/dbraw/zinc/35/24/01/721352401.db2.gz BKEFABOHBGCXLX-JOCHJYFZSA-N 1 0 445.951 2.953 20 0 IFADRO COC(=O)c1cc(C)cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164781670 721356660 /nfs/dbraw/zinc/35/66/60/721356660.db2.gz KRWVSSWFLHDXBQ-HSZRJFAPSA-N 1 0 428.533 2.900 20 0 IFADRO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nccc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164779955 721360014 /nfs/dbraw/zinc/36/00/14/721360014.db2.gz BHTAPXKQUZSWPL-XMMPIXPASA-N 1 0 440.592 2.667 20 0 IFADRO CCCNC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164781597 721367772 /nfs/dbraw/zinc/36/77/72/721367772.db2.gz KATWJHUYTMTGMT-DEOSSOPVSA-N 1 0 441.576 2.945 20 0 IFADRO CCOC(=O)c1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1Cl ZINC001164889215 721387008 /nfs/dbraw/zinc/38/70/08/721387008.db2.gz LAHQUPLGDZSYCT-VGSWGCGISA-N 1 0 436.984 2.677 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C(=O)OC(C)(C)C)ccn4)C3)O2)CC1 ZINC001164887384 721389705 /nfs/dbraw/zinc/38/97/05/721389705.db2.gz HXMOZNGRCNOZRA-HYBUGGRVSA-N 1 0 430.593 2.802 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(Cl)n1 ZINC001164884067 721401202 /nfs/dbraw/zinc/40/12/02/721401202.db2.gz DAGBCIQEDHDGIV-QFBILLFUSA-N 1 0 429.943 2.749 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ccc2c1 ZINC001164883961 721405540 /nfs/dbraw/zinc/40/55/40/721405540.db2.gz CTJQQOCBEBVRNY-PXDATVDWSA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)COc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164887770 721408427 /nfs/dbraw/zinc/40/84/27/721408427.db2.gz NKLFTNMLCVGWDC-AZUAARDMSA-N 1 0 444.954 2.968 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164890368 721414321 /nfs/dbraw/zinc/41/43/21/721414321.db2.gz SGTSUUYSWOUXCN-PGRDOPGGSA-N 1 0 436.984 2.677 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(OCc5ccccc5)cnn4)C3)O2)CC1 ZINC001164891454 721418817 /nfs/dbraw/zinc/41/88/17/721418817.db2.gz WGCKSQDBLHRRLE-RDGATRHJSA-N 1 0 437.588 2.821 20 0 IFADRO COc1cccc(-c2ccnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)n2)c1 ZINC001164891966 721424182 /nfs/dbraw/zinc/42/41/82/721424182.db2.gz XGVBKJNWVPCKPV-RDGATRHJSA-N 1 0 437.588 2.918 20 0 IFADRO CSc1nc2ncnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2s1 ZINC001164892414 721424281 /nfs/dbraw/zinc/42/42/81/721424281.db2.gz YAPHOUJDQRYHOV-QRWLVFNGSA-N 1 0 434.635 2.574 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896223 721424838 /nfs/dbraw/zinc/42/48/38/721424838.db2.gz RFVMKPWLQDSTTQ-JTSKRJEESA-N 1 0 448.015 2.826 20 0 IFADRO COc1ccccc1-c1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164898752 721434938 /nfs/dbraw/zinc/43/49/38/721434938.db2.gz WWIZNPMOZIIAEB-CJFMBICVSA-N 1 0 437.588 2.918 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)C3)O2)CC1 ZINC001164891484 721442468 /nfs/dbraw/zinc/44/24/68/721442468.db2.gz GPIIIWXPVBGDIB-LVXARBLLSA-N 1 0 448.615 2.793 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5cccnc5)nc5c4CCC5)C3)O2)CC1 ZINC001164894950 721442640 /nfs/dbraw/zinc/44/26/40/721442640.db2.gz NSSIZGQFGCXJKJ-QFQXNSOFSA-N 1 0 448.615 2.793 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890856 721447935 /nfs/dbraw/zinc/44/79/35/721447935.db2.gz SUMQPLFXNVMLSS-HKUYNNGSSA-N 1 0 430.927 2.925 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cncc(OCC5CCCC5)n4)C3)O2)CC1 ZINC001164889630 721448656 /nfs/dbraw/zinc/44/86/56/721448656.db2.gz OLTNXCUJKXQKAA-URXFXBBRSA-N 1 0 429.609 2.811 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)OC)cc(C)n1)CC2 ZINC001164789441 721450925 /nfs/dbraw/zinc/45/09/25/721450925.db2.gz WEYZXMAVEYECCJ-OAQYLSRUSA-N 1 0 431.577 2.911 20 0 IFADRO CCOC(=O)c1ccnc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1 ZINC001164786565 721451327 /nfs/dbraw/zinc/45/13/27/721451327.db2.gz MVEYFLJUZQTXLI-NRFANRHFSA-N 1 0 431.577 2.992 20 0 IFADRO CCOC(=O)c1ccnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1 ZINC001164786570 721451450 /nfs/dbraw/zinc/45/14/50/721451450.db2.gz MVEYFLJUZQTXLI-OAQYLSRUSA-N 1 0 431.577 2.992 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(C(N)=S)c5ccsc54)C3)O2)CC1 ZINC001164892740 721452583 /nfs/dbraw/zinc/45/25/83/721452583.db2.gz XSSRSWCGXLRNLQ-ZHRRBRCNSA-N 1 0 445.658 2.696 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)OC(C)C)nn1)CC2 ZINC001164786879 721454153 /nfs/dbraw/zinc/45/41/53/721454153.db2.gz OITDOVQIORBEON-FQEVSTJZSA-N 1 0 446.592 2.776 20 0 IFADRO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1 ZINC001164891358 721455404 /nfs/dbraw/zinc/45/54/04/721455404.db2.gz UMHNVLHPGQQGDU-SMIHKQSGSA-N 1 0 432.568 2.902 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cc1C)CC2 ZINC001164783600 721455695 /nfs/dbraw/zinc/45/56/95/721455695.db2.gz CJNPAVRVAUTABL-NRFANRHFSA-N 1 0 431.577 2.911 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)OC)c(C)n1)CC2 ZINC001164789867 721457847 /nfs/dbraw/zinc/45/78/47/721457847.db2.gz YAJSIZILRSGXJU-FQEVSTJZSA-N 1 0 431.577 2.911 20 0 IFADRO CCOC(=O)Cc1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164785476 721460044 /nfs/dbraw/zinc/46/00/44/721460044.db2.gz LMEZATHSSTVOPG-JOCHJYFZSA-N 1 0 445.604 2.921 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(C)C)nc(N(C)C)n1)CC2 ZINC001164784399 721462555 /nfs/dbraw/zinc/46/25/55/721462555.db2.gz HTGAJHKBYDINCM-HXUWFJFHSA-N 1 0 446.640 2.795 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3ncnc(Cl)c3n1)CC2 ZINC001164786840 721462945 /nfs/dbraw/zinc/46/29/45/721462945.db2.gz PVDSSJLFNWRQRI-KRWDZBQOSA-N 1 0 446.983 2.807 20 0 IFADRO CCNC(=O)c1cccnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164783620 721463107 /nfs/dbraw/zinc/46/31/07/721463107.db2.gz DVVVMQOSNKHPMW-FQEVSTJZSA-N 1 0 430.593 2.565 20 0 IFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164796396 721502011 /nfs/dbraw/zinc/50/20/11/721502011.db2.gz UEWJMQZJHYMHGC-UHFFFAOYSA-N 1 0 435.981 2.658 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)c(Cl)c2)CC3)CC1 ZINC001164794642 721508957 /nfs/dbraw/zinc/50/89/57/721508957.db2.gz BDWZIGPSMYVBKZ-UHFFFAOYSA-N 1 0 431.318 2.897 20 0 IFADRO CCOC(=O)c1cnc(SC)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901756 721509949 /nfs/dbraw/zinc/50/99/49/721509949.db2.gz YNWMOXKKIVKQKX-WBVHZDCISA-N 1 0 432.521 2.856 20 0 IFADRO CCOC(=O)c1cnc(SC)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901750 721510308 /nfs/dbraw/zinc/51/03/08/721510308.db2.gz YNWMOXKKIVKQKX-DOTOQJQBSA-N 1 0 432.521 2.856 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4c(Cl)cccc42)CC3)CC1 ZINC001164794938 721512556 /nfs/dbraw/zinc/51/25/56/721512556.db2.gz YNGRVFKNBGGFCB-UHFFFAOYSA-N 1 0 432.359 2.901 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4cc(F)c(F)cc4nc2Cl)CC3)CC1 ZINC001164794762 721512813 /nfs/dbraw/zinc/51/28/13/721512813.db2.gz VNKUBNZFRSRVAU-UHFFFAOYSA-N 1 0 433.894 2.526 20 0 IFADRO COc1ccc2c(c1)nc(Cl)cc2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794281 721513409 /nfs/dbraw/zinc/51/34/09/721513409.db2.gz MPWHMHQUUYAHNY-UHFFFAOYSA-N 1 0 426.952 2.861 20 0 IFADRO COc1cnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c2cc(Cl)ccc12 ZINC001164794041 721513801 /nfs/dbraw/zinc/51/38/01/721513801.db2.gz CJCAYBSOEPMWEZ-UHFFFAOYSA-N 1 0 426.952 2.861 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2c[nH]c4nc(Cl)ccc24)CC3)CC1 ZINC001164794073 721513808 /nfs/dbraw/zinc/51/38/08/721513808.db2.gz DPCLBCKCQUIWSW-UHFFFAOYSA-N 1 0 435.910 2.725 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2nc4ccccc4nc2Cl)CC3)CC1 ZINC001164798261 721516089 /nfs/dbraw/zinc/51/60/89/721516089.db2.gz RIQIVJXLDDXGFS-UHFFFAOYSA-N 1 0 447.921 2.792 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc(Cl)nc2Oc2ccccc2)CC3)CC1 ZINC001164795366 721522088 /nfs/dbraw/zinc/52/20/88/721522088.db2.gz NMZRVZNDIXDSOH-UHFFFAOYSA-N 1 0 439.951 2.886 20 0 IFADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909749 721529290 /nfs/dbraw/zinc/52/92/90/721529290.db2.gz RSTZWZFTFFLPIG-DOTOQJQBSA-N 1 0 434.899 2.717 20 0 IFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164907548 721551164 /nfs/dbraw/zinc/55/11/64/721551164.db2.gz OHKBTWSTVKTGJD-DZGCQCFKSA-N 1 0 445.882 2.879 20 0 IFADRO COc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(N2CCCCCC2)n1 ZINC001164905912 721552833 /nfs/dbraw/zinc/55/28/33/721552833.db2.gz HZJILNGUQBLOLN-UYAOXDASSA-N 1 0 442.539 2.742 20 0 IFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)cc(O[C@@H]5CCOC5)n4)CC[N@@H+]3C2)c1 ZINC001164907521 721566109 /nfs/dbraw/zinc/56/61/09/721566109.db2.gz NZBCIZXCDFBZJH-CGTJXYLNSA-N 1 0 434.899 2.779 20 0 IFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907012 721587524 /nfs/dbraw/zinc/58/75/24/721587524.db2.gz QGSXNWSOLVFRRG-OAQYLSRUSA-N 1 0 442.470 2.829 20 0 IFADRO COc1cccc(CN2C[C@H]3CCN(c4cc(C[NH+](C)C)ccn4)CC[C@H]3S2(=O)=O)c1 ZINC001164806808 721592989 /nfs/dbraw/zinc/59/29/89/721592989.db2.gz NALYNIDFUBZFDV-IFMALSPDSA-N 1 0 444.601 2.582 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc(Oc3cccc(F)c3)n2)CC1 ZINC001165009452 721741193 /nfs/dbraw/zinc/74/11/93/721741193.db2.gz DLPOKMXIXDECCQ-UHFFFAOYSA-N 1 0 448.930 2.979 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC001165010787 721746282 /nfs/dbraw/zinc/74/62/82/721746282.db2.gz PGYBWEWDGGYPPI-UHFFFAOYSA-N 1 0 448.011 2.930 20 0 IFADRO COc1ccc(-c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)c(OC)c1 ZINC001165012225 721747420 /nfs/dbraw/zinc/74/74/20/721747420.db2.gz DBJOBESTPCWOKN-UHFFFAOYSA-N 1 0 439.560 2.684 20 0 IFADRO COC(=O)c1nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c2ccccc2c1OC ZINC001165012215 721747577 /nfs/dbraw/zinc/74/75/77/721747577.db2.gz CRSVYTOZDCMVDC-UHFFFAOYSA-N 1 0 440.544 2.553 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc(S(C)(=O)=O)n3)C[C@H]21 ZINC001165022297 721798794 /nfs/dbraw/zinc/79/87/94/721798794.db2.gz IPLWOSNQQSGWAQ-USXIJHARSA-N 1 0 435.981 2.665 20 0 IFADRO CCOC(=O)c1nnc(SC)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022082 721807084 /nfs/dbraw/zinc/80/70/84/721807084.db2.gz HRWCLOQJBJFHMX-SZMVWBNQSA-N 1 0 442.589 2.902 20 0 IFADRO CCNS(=O)(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020804 721817431 /nfs/dbraw/zinc/81/74/31/721817431.db2.gz DDIQTMUDOQVZDD-SXLOBPIMSA-N 1 0 429.590 2.512 20 0 IFADRO CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165028292 721823954 /nfs/dbraw/zinc/82/39/54/721823954.db2.gz VCTYJVTXRSKFLB-VLCRHTCISA-N 1 0 443.617 2.900 20 0 IFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2C(C)(C)C(=O)N3)CC1 ZINC001165020240 721842981 /nfs/dbraw/zinc/84/29/81/721842981.db2.gz AREFTIAEZUJSPL-UHFFFAOYSA-N 1 0 425.533 2.824 20 0 IFADRO CCNC(=O)c1cc(Cl)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165031131 721845404 /nfs/dbraw/zinc/84/54/04/721845404.db2.gz UKJZSTPOJZTNHQ-UHFFFAOYSA-N 1 0 447.967 2.998 20 0 IFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164927990 721856247 /nfs/dbraw/zinc/85/62/47/721856247.db2.gz MDOIGGNRGDCZSA-NHCUHLMSSA-N 1 0 426.996 2.860 20 0 IFADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]([NH+](C)C)C3)c2c1C ZINC001165035773 721896017 /nfs/dbraw/zinc/89/60/17/721896017.db2.gz OLQKYLNNFRDBQN-INIZCTEOSA-N 1 0 447.605 2.539 20 0 IFADRO CCNS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164938632 721931015 /nfs/dbraw/zinc/93/10/15/721931015.db2.gz BZABQUKWIDMOFQ-UHFFFAOYSA-N 1 0 444.601 2.560 20 0 IFADRO FC(F)(F)c1nnc(N2CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)s1 ZINC001165050884 721999474 /nfs/dbraw/zinc/99/94/74/721999474.db2.gz APEPPUKRHAJNCI-UHFFFAOYSA-N 1 0 428.484 2.753 20 0 IFADRO CC[NH+](CC)C1CCN(c2ncnc3cc(OCCOC)c(OCCOC)cc32)CC1 ZINC001165053550 722001049 /nfs/dbraw/zinc/00/10/49/722001049.db2.gz PDUBOFSSFMSDNP-UHFFFAOYSA-N 1 0 432.565 2.991 20 0 IFADRO O=S(=O)(c1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1)N1CCCC1 ZINC001164962671 722023337 /nfs/dbraw/zinc/02/33/37/722023337.db2.gz QTIDYQUOXHOART-UHFFFAOYSA-N 1 0 441.601 2.754 20 0 IFADRO COC(=O)CSc1cccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961556 722058823 /nfs/dbraw/zinc/05/88/23/722058823.db2.gz LVVIAIPTDXFMSB-UHFFFAOYSA-N 1 0 442.585 2.861 20 0 IFADRO CS(=O)(=O)N1C[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]2c2ccccc21 ZINC001164973996 722090435 /nfs/dbraw/zinc/09/04/35/722090435.db2.gz LXRGHEVPWQNQML-QUCCMNQESA-N 1 0 442.585 2.556 20 0 IFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975440 722104264 /nfs/dbraw/zinc/10/42/64/722104264.db2.gz BQEQBNFRHRGDKH-KNQAVFIVSA-N 1 0 433.512 2.539 20 0 IFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[C@@H]3C2)c1 ZINC001164974711 722105229 /nfs/dbraw/zinc/10/52/29/722105229.db2.gz BLSDNKYVYNGQMQ-WZONZLPQSA-N 1 0 433.512 2.523 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164983950 722105830 /nfs/dbraw/zinc/10/58/30/722105830.db2.gz RJSKKACLVPEZTE-JPYJTQIMSA-N 1 0 435.528 2.769 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2[nH]1 ZINC001164976382 722111340 /nfs/dbraw/zinc/11/13/40/722111340.db2.gz LMJLLJNMSUPMNE-FPOVZHCZSA-N 1 0 435.528 2.862 20 0 IFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978165 722125470 /nfs/dbraw/zinc/12/54/70/722125470.db2.gz NRMVHQVUCZDTFH-AZUAARDMSA-N 1 0 425.533 2.554 20 0 IFADRO COc1nc(-c2ccccc2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164973284 722127700 /nfs/dbraw/zinc/12/77/00/722127700.db2.gz GYCSMKALNWDOLA-SFTDATJTSA-N 1 0 432.528 2.670 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH]c-2n1 ZINC001164983367 722131037 /nfs/dbraw/zinc/13/10/37/722131037.db2.gz UQZAFJLUSCOLBN-PZJWPPBQSA-N 1 0 435.528 2.862 20 0 IFADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)no1 ZINC001164982654 722138831 /nfs/dbraw/zinc/13/88/31/722138831.db2.gz RVLUKPRZHUAMRZ-TZIWHRDSSA-N 1 0 448.527 2.753 20 0 IFADRO FC(F)(COc1ccc(Cl)nn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979608 722140735 /nfs/dbraw/zinc/14/07/35/722140735.db2.gz LNNIUMYMOFEAQR-IRXDYDNUSA-N 1 0 439.894 2.720 20 0 IFADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975090 722142196 /nfs/dbraw/zinc/14/21/96/722142196.db2.gz DVLCHMCKQZANRC-HUUCEWRRSA-N 1 0 449.893 2.625 20 0 IFADRO Clc1nc2c(Cl)ncnc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985010 722150310 /nfs/dbraw/zinc/15/03/10/722150310.db2.gz YTSKVBSOVNOLLL-LSDHHAIUSA-N 1 0 446.342 2.849 20 0 IFADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975444 722156625 /nfs/dbraw/zinc/15/66/25/722156625.db2.gz SVSXGMJFKRQJGL-WBVHZDCISA-N 1 0 439.894 2.806 20 0 IFADRO Cc1nc(CN2CCO[C@H]3CCN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]32)cs1 ZINC001164987552 722184401 /nfs/dbraw/zinc/18/44/01/722184401.db2.gz IJWFXXRHIJXEQJ-UXHICEINSA-N 1 0 429.590 2.553 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)nc1)C1CC1 ZINC001164993484 722187298 /nfs/dbraw/zinc/18/72/98/722187298.db2.gz ZUGXDLGCGGKFMN-VWNXMTODSA-N 1 0 440.613 2.858 20 0 IFADRO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]12 ZINC001164991940 722187306 /nfs/dbraw/zinc/18/73/06/722187306.db2.gz RCTNDWAVFWTXSK-ISKFKSNPSA-N 1 0 440.613 2.859 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4cccn4C)CCO[C@H]3C2)nc1 ZINC001165005899 722244724 /nfs/dbraw/zinc/24/47/24/722244724.db2.gz VROHALPASJQOOU-XJUOHMSHSA-N 1 0 437.588 2.944 20 0 IFADRO COc1ccc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1Cl ZINC001165002585 722254369 /nfs/dbraw/zinc/25/43/69/722254369.db2.gz QVPXCGQYCOBAPG-UHFFFAOYSA-N 1 0 429.899 2.974 20 0 IFADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165003087 722254407 /nfs/dbraw/zinc/25/44/07/722254407.db2.gz YZEYMOIDTNASNT-UHFFFAOYSA-N 1 0 448.999 2.902 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)COc1cccc(Cl)n1)CCC2 ZINC001165001864 722254695 /nfs/dbraw/zinc/25/46/95/722254695.db2.gz HRBKLPOLXNTRIG-UHFFFAOYSA-N 1 0 429.899 2.887 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3cccnc3)nc3c1CCC3)CCC2 ZINC001165004933 722257493 /nfs/dbraw/zinc/25/74/93/722257493.db2.gz XUVHBEOLDOOTKM-UHFFFAOYSA-N 1 0 433.560 2.712 20 0 IFADRO COc1ccc([C@H]2[C@@H](C(=O)NCC[NH+](C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004563171 536946793 /nfs/dbraw/zinc/94/67/93/536946793.db2.gz SSKATIMLJVUIDA-GMAHTHKFSA-N 1 0 425.529 2.866 20 0 IFADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C[C@H]3CCO)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164392378 718811306 /nfs/dbraw/zinc/81/13/06/718811306.db2.gz MDNUNDGTOFLCOI-RBUKOAKNSA-N 1 0 444.620 2.869 20 0 IFADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCN3CC[NH2+]C[C@H]3C2)c2ccccc21 ZINC001164398369 718836029 /nfs/dbraw/zinc/83/60/29/718836029.db2.gz FDIJENNGJBMPTI-AWEZNQCLSA-N 1 0 432.906 2.927 20 0 IFADRO C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164403430 718839420 /nfs/dbraw/zinc/83/94/20/718839420.db2.gz ITKTWGLQUMPVIN-KRWDZBQOSA-N 1 0 426.634 2.650 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCN5CC[NH2+]C[C@@H]5C4)c23)C1 ZINC001164408039 718839998 /nfs/dbraw/zinc/83/99/98/718839998.db2.gz XULXUAPRSDGFKA-IAGOWNOFSA-N 1 0 426.634 2.506 20 0 IFADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@H]3C[NH2+]C[C@]3(CO)C2)cc1 ZINC001164408806 718852753 /nfs/dbraw/zinc/85/27/53/718852753.db2.gz TWOLJCLSCYQORM-FOIQADDNSA-N 1 0 437.874 2.752 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCOCC45C[NH2+]C5)c23)C1 ZINC001164401446 718860750 /nfs/dbraw/zinc/86/07/50/718860750.db2.gz DTBCEAHVRQOZRL-MRXNPFEDSA-N 1 0 427.618 2.981 20 0 IFADRO O=C1NCCN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)C12C[NH2+]C2 ZINC001164410638 718879127 /nfs/dbraw/zinc/87/91/27/718879127.db2.gz FLROLTOYXHCXSF-UHFFFAOYSA-N 1 0 448.596 2.622 20 0 IFADRO O=C1NCCN(C(F)(F)c2cc(-c3cccc(C(F)(F)F)c3)nnc2Cl)C12C[NH2+]C2 ZINC001164413185 718879505 /nfs/dbraw/zinc/87/95/05/718879505.db2.gz CWYPSFYQAHRLNT-UHFFFAOYSA-N 1 0 447.795 2.639 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(C)n1)C2 ZINC001164434542 718968044 /nfs/dbraw/zinc/96/80/44/718968044.db2.gz SOYXIZUFVNVSRW-ZIAGYGMSSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1nc(C)cc(Cl)n1)C2 ZINC001164434985 718968363 /nfs/dbraw/zinc/96/83/63/718968363.db2.gz WRMXIDYTGUFHRQ-KGLIPLIRSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(C)n1)C2 ZINC001164434539 718968405 /nfs/dbraw/zinc/96/84/05/718968405.db2.gz SOYXIZUFVNVSRW-KBPBESRZSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1nc(Cl)ccc1CN1CCCC1)C2 ZINC001164435012 718969586 /nfs/dbraw/zinc/96/95/86/718969586.db2.gz XKYWLKAZYOGHFX-RBUKOAKNSA-N 1 0 446.901 2.852 20 0 IFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN(CC)CC)nc2sc(C)c(C)c21 ZINC001164619350 719017508 /nfs/dbraw/zinc/01/75/08/719017508.db2.gz VVUXUGORJYHBBC-IXDOHACOSA-N 1 0 431.606 2.880 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc(OC)c(OC)cc43)CC2)CC1 ZINC001164614108 719023414 /nfs/dbraw/zinc/02/34/14/719023414.db2.gz NLAKONMCMUGVDF-UHFFFAOYSA-N 1 0 428.533 2.891 20 0 IFADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1 ZINC001164622628 719046740 /nfs/dbraw/zinc/04/67/40/719046740.db2.gz LAOAKLXIDHHGPP-FUHWJXTLSA-N 1 0 442.919 2.511 20 0 IFADRO COC(=O)C1CCN(c2nccnc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001164628634 719086929 /nfs/dbraw/zinc/08/69/29/719086929.db2.gz NVCQBQJDQBLYPA-FGZHOGPDSA-N 1 0 435.572 2.967 20 0 IFADRO COC(=O)C1CCN(c2ccnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164628808 719089326 /nfs/dbraw/zinc/08/93/26/719089326.db2.gz ONDLTLCVXJTOSC-YADHBBJMSA-N 1 0 435.572 2.967 20 0 IFADRO COC(=O)C1CCN(c2ccnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164628805 719089337 /nfs/dbraw/zinc/08/93/37/719089337.db2.gz ONDLTLCVXJTOSC-FCHUYYIVSA-N 1 0 435.572 2.967 20 0 IFADRO [NH3+]C1([C@H]2CN(c3ncccc3C(=O)N3CCN(Cc4ccccc4)CC3)C[C@H]2CF)CC1 ZINC001164620016 719120367 /nfs/dbraw/zinc/12/03/67/719120367.db2.gz GIHNYAYOCSAUCR-IRLDBZIGSA-N 1 0 437.563 2.553 20 0 IFADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CF)CC1 ZINC001164623182 719121685 /nfs/dbraw/zinc/12/16/85/719121685.db2.gz ROAITTKOIZXDGD-DOTOQJQBSA-N 1 0 445.608 2.916 20 0 IFADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[NH2+]C[C@@H]2C(=O)OC)cc1 ZINC001164631741 719135393 /nfs/dbraw/zinc/13/53/93/719135393.db2.gz OGTHJLOCLBDJGZ-OAHLLOKOSA-N 1 0 439.846 2.685 20 0 IFADRO COCCN1CCN(C)C2(CCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC2)C1=O ZINC001164642187 719276366 /nfs/dbraw/zinc/27/63/66/719276366.db2.gz YGGSLEIGABUXEO-UHFFFAOYSA-N 1 0 447.583 2.844 20 0 IFADRO CC(C)C[NH+]1CCN([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3N(C)C2=O)CC1 ZINC001164657551 719336690 /nfs/dbraw/zinc/33/66/90/719336690.db2.gz RFMWCAAADGRPPS-OAQYLSRUSA-N 1 0 438.979 2.795 20 0 IFADRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(Cn4ccc5nc(-c6ccccc6F)nc-5c4)nn3)C[C@H]21 ZINC001164670546 719376494 /nfs/dbraw/zinc/37/64/94/719376494.db2.gz VDCYYGGTSHUONM-FGZHOGPDSA-N 1 0 445.502 2.547 20 0 IFADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164670195 719445118 /nfs/dbraw/zinc/44/51/18/719445118.db2.gz NSEMUBYFXGWMDS-IRXDYDNUSA-N 1 0 438.553 2.896 20 0 IFADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164670193 719445791 /nfs/dbraw/zinc/44/57/91/719445791.db2.gz NSEMUBYFXGWMDS-DLBZAZTESA-N 1 0 438.553 2.896 20 0 IFADRO Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)nc4c2C[NH2+]CC4)CC3)cc1 ZINC001164668080 719493303 /nfs/dbraw/zinc/49/33/03/719493303.db2.gz NVEGRGPYGCAYLH-UHFFFAOYSA-N 1 0 431.943 2.786 20 0 IFADRO CC(C)N(C)Cc1nn(-c2ncccc2C(=O)N2CCc3ccccc32)c2c1CC[NH2+]C2 ZINC001164680558 719639268 /nfs/dbraw/zinc/63/92/68/719639268.db2.gz WBDFHLBRZLEICY-UHFFFAOYSA-N 1 0 430.556 2.956 20 0 IFADRO CC(C)N(C)Cc1nn([C@](F)(COc2cncc(Cl)n2)C(F)F)c2c1CC[NH2+]C2 ZINC001164680560 719642632 /nfs/dbraw/zinc/64/26/32/719642632.db2.gz WBPLONQJXWXOFW-GOSISDBHSA-N 1 0 432.878 2.779 20 0 IFADRO CCOc1cncc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681691 719655046 /nfs/dbraw/zinc/65/50/46/719655046.db2.gz PXIXABGJVYNSGR-IBGZPJMESA-N 1 0 437.588 2.969 20 0 IFADRO CNC(=O)c1cccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681074 719673464 /nfs/dbraw/zinc/67/34/64/719673464.db2.gz JHJRGAPSQAFEOM-LJQANCHMSA-N 1 0 449.599 2.535 20 0 IFADRO COCc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164684507 719681613 /nfs/dbraw/zinc/68/16/13/719681613.db2.gz IZXOALQLEJQOAH-IBGZPJMESA-N 1 0 437.588 2.716 20 0 IFADRO Cc1cc(C(N)=O)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164688199 719683483 /nfs/dbraw/zinc/68/34/83/719683483.db2.gz WZABXFZOPHZFTL-HXUWFJFHSA-N 1 0 449.599 2.582 20 0 IFADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(S(=O)(=O)N(C)C)cn2)CC3)cs1 ZINC001164692199 719813424 /nfs/dbraw/zinc/81/34/24/719813424.db2.gz NZCVWXGKHBYYRD-UHFFFAOYSA-N 1 0 435.619 2.732 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)nc1 ZINC001164702958 719885024 /nfs/dbraw/zinc/88/50/24/719885024.db2.gz RMLQFTPLBGGRLL-MXEMCNAFSA-N 1 0 436.560 2.756 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)C2 ZINC001164813666 720085127 /nfs/dbraw/zinc/08/51/27/720085127.db2.gz UYUKEDMPUJHNJS-DNVCBOLYSA-N 1 0 429.943 2.926 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1C(N)=O)CC2 ZINC001164711071 720098839 /nfs/dbraw/zinc/09/88/39/720098839.db2.gz NUUXQLQXAUGDLZ-GOSISDBHSA-N 1 0 429.952 2.736 20 0 IFADRO CCOC(=O)c1cnc(C)nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164714825 720109082 /nfs/dbraw/zinc/10/90/82/720109082.db2.gz CFRGSLBPYDLQFY-FQEVSTJZSA-N 1 0 439.560 2.864 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)C2 ZINC001164812469 720110537 /nfs/dbraw/zinc/11/05/37/720110537.db2.gz OMVYFYQNECULEX-CLOONOSVSA-N 1 0 435.572 2.547 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3ccc(=O)n(C)c3n1)CC2 ZINC001164717474 720120946 /nfs/dbraw/zinc/12/09/46/720120946.db2.gz PHVKOKSQERGNPN-NRFANRHFSA-N 1 0 433.556 2.836 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(C)C)nc(N(C)C)n1)CC2 ZINC001164719444 720125072 /nfs/dbraw/zinc/12/50/72/720125072.db2.gz WXEUARKALYEBBG-FQEVSTJZSA-N 1 0 439.608 2.964 20 0 IFADRO CCOC(=O)c1nccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713110 720146920 /nfs/dbraw/zinc/14/69/20/720146920.db2.gz RARURTFSYZTABO-LJQANCHMSA-N 1 0 425.533 2.556 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)C2 ZINC001164816318 720155182 /nfs/dbraw/zinc/15/51/82/720155182.db2.gz KWYLWQRBTWMBRN-AUUYWEPGSA-N 1 0 428.911 2.564 20 0 IFADRO Cc1sc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1C ZINC001164714608 720171062 /nfs/dbraw/zinc/17/10/62/720171062.db2.gz QRWVXCKURAFRTD-KRWDZBQOSA-N 1 0 427.578 2.653 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)C2 ZINC001164818145 720171422 /nfs/dbraw/zinc/17/14/22/720171422.db2.gz RWDHVQPFRDFSCI-UGSOOPFHSA-N 1 0 426.899 2.688 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)C2 ZINC001164818694 720171675 /nfs/dbraw/zinc/17/16/75/720171675.db2.gz UCWLOWDSKPCBJU-SCLBCKFNSA-N 1 0 426.899 2.688 20 0 IFADRO Cn1nnc2c1CCN(c1cc(Oc3ccccc3)ncn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716131 720172830 /nfs/dbraw/zinc/17/28/30/720172830.db2.gz XYAUTZMYSWVYTA-FQEVSTJZSA-N 1 0 435.532 2.614 20 0 IFADRO Cn1nnc2c1CCN(c1cc(Cl)nc3ncccc13)[C@H]2COCC[NH+]1CCCC1 ZINC001164717680 720179337 /nfs/dbraw/zinc/17/93/37/720179337.db2.gz LJEJXYMJEOVPBM-SFHVURJKSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1nccc(-c3ccc(F)cc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718281 720180057 /nfs/dbraw/zinc/18/00/57/720180057.db2.gz ODZUZUVYZFSUFZ-OAQYLSRUSA-N 1 0 437.523 2.627 20 0 IFADRO Cc1sc2nc(C)nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1C ZINC001164716564 720180682 /nfs/dbraw/zinc/18/06/82/720180682.db2.gz HRTGUQIQBSDACV-GOSISDBHSA-N 1 0 441.605 2.961 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1nc(Cl)ccc1F)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715483 720180714 /nfs/dbraw/zinc/18/07/14/720180714.db2.gz CSHQSEXIIIHDML-OAHLLOKOSA-N 1 0 444.889 2.764 20 0 IFADRO Cc1sc2nc(C)nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1C ZINC001164716565 720181039 /nfs/dbraw/zinc/18/10/39/720181039.db2.gz HRTGUQIQBSDACV-SFHVURJKSA-N 1 0 441.605 2.961 20 0 IFADRO Cc1cc(Cl)ncc1C(F)(F)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164717782 720182910 /nfs/dbraw/zinc/18/29/10/720182910.db2.gz MKTMEWFPLYVMMB-QGZVFWFLSA-N 1 0 440.926 2.933 20 0 IFADRO Cn1nnc2c1CCN(c1cc3c(Cl)ccnc3cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719905 720188153 /nfs/dbraw/zinc/18/81/53/720188153.db2.gz YKBRJCRFPBFEBO-LJQANCHMSA-N 1 0 427.940 2.628 20 0 IFADRO Cc1nc(-c2ccncc2)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1C ZINC001164717649 720200915 /nfs/dbraw/zinc/20/09/15/720200915.db2.gz VRSHSXLUHUUIIE-OAQYLSRUSA-N 1 0 448.575 2.500 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cc1C(=O)OCC ZINC001164812935 720203075 /nfs/dbraw/zinc/20/30/75/720203075.db2.gz NIDPXARYKYBCLI-MHECFPHRSA-N 1 0 445.560 2.620 20 0 IFADRO CCc1nc(Cl)nc(Cl)c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164720380 720205253 /nfs/dbraw/zinc/20/52/53/720205253.db2.gz ZSKJFWRTFNWRNA-HNNXBMFYSA-N 1 0 440.379 2.691 20 0 IFADRO Cn1nnc2c1CCN(c1cncc(-c3ccc(F)cc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164720326 720205294 /nfs/dbraw/zinc/20/52/94/720205294.db2.gz YMDYRXJTAYXVBH-NRFANRHFSA-N 1 0 437.523 2.627 20 0 IFADRO Cn1nnc2c1CCN(c1c(F)ccc3c(Cl)ncnc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719653 720207264 /nfs/dbraw/zinc/20/72/64/720207264.db2.gz RYTJMEHPIWZWGP-QGZVFWFLSA-N 1 0 445.930 2.767 20 0 IFADRO CCOC(=O)c1cnc(Cl)cc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814209 720209176 /nfs/dbraw/zinc/20/91/76/720209176.db2.gz UHESFJIUMSCSNS-UHFFFAOYSA-N 1 0 433.940 2.719 20 0 IFADRO Cc1nc(Cl)cc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164812599 720215143 /nfs/dbraw/zinc/21/51/43/720215143.db2.gz LIODTXWYJOPCIJ-UHFFFAOYSA-N 1 0 426.899 2.791 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CCC2 ZINC001164812811 720233328 /nfs/dbraw/zinc/23/33/28/720233328.db2.gz IRGBFMQFAZZPNS-UHFFFAOYSA-N 1 0 444.939 2.771 20 0 IFADRO COc1ccccc1-c1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nn1 ZINC001164812794 720236921 /nfs/dbraw/zinc/23/69/21/720236921.db2.gz IGZCQYWRPODQAY-UHFFFAOYSA-N 1 0 434.544 2.959 20 0 IFADRO CNC(=O)CN1CCOC[C@]2(CCCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164719426 720259960 /nfs/dbraw/zinc/25/99/60/720259960.db2.gz NGQQLFWOJMQBQV-AREMUKBSSA-N 1 0 447.583 2.749 20 0 IFADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164818739 720288455 /nfs/dbraw/zinc/28/84/55/720288455.db2.gz MOPQHANZEAHACP-MSOLQXFVSA-N 1 0 434.968 2.823 20 0 IFADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821308 720294288 /nfs/dbraw/zinc/29/42/88/720294288.db2.gz JVFCWTSJTNVFBR-NPKYYYDESA-N 1 0 426.561 2.569 20 0 IFADRO COc1cc2ncc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2cc1OC ZINC001164821935 720314666 /nfs/dbraw/zinc/31/46/66/720314666.db2.gz LZIUQYFVGNRJNO-PMACEKPBSA-N 1 0 439.560 2.559 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1OCC ZINC001164823364 720317220 /nfs/dbraw/zinc/31/72/20/720317220.db2.gz AVUBMRACORPRQA-WOJBJXKFSA-N 1 0 444.576 2.569 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164830159 720321050 /nfs/dbraw/zinc/32/10/50/720321050.db2.gz OPIISMPIXXSLRX-OALUTQOASA-N 1 0 434.968 2.823 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(OCc3ccccc3)cnn2)CC1 ZINC001164826253 720324594 /nfs/dbraw/zinc/32/45/94/720324594.db2.gz FZXYLBOCXCYMGR-GOTSBHOMSA-N 1 0 435.572 2.967 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(N)cc(Cl)n2)CC1 ZINC001164827745 720324612 /nfs/dbraw/zinc/32/46/12/720324612.db2.gz IFQCKPDDSSIKAO-HZPDHXFCSA-N 1 0 427.927 2.774 20 0 IFADRO CCOC(=O)/C=C\c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164831996 720327952 /nfs/dbraw/zinc/32/79/52/720327952.db2.gz SRXCMXDRLZWMGO-HCMBVFRLSA-N 1 0 426.561 2.569 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824760 720328002 /nfs/dbraw/zinc/32/80/02/720328002.db2.gz DDZKOGKICLMDOK-YADHBBJMSA-N 1 0 436.556 2.933 20 0 IFADRO CSc1nc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2s1 ZINC001164823899 720329301 /nfs/dbraw/zinc/32/93/01/720329301.db2.gz BPNPHZPBHGWHCI-LSDHHAIUSA-N 1 0 432.619 2.720 20 0 IFADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833758 720334266 /nfs/dbraw/zinc/33/42/66/720334266.db2.gz XOBYUNDOVDECOI-HZPDHXFCSA-N 1 0 443.926 2.595 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)COc2ccc(Cl)nn2)CC1 ZINC001164821399 720338298 /nfs/dbraw/zinc/33/82/98/720338298.db2.gz AGBNNFQXVRUAJX-HOTGVXAUSA-N 1 0 443.926 2.509 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2ncn3-c2ccccc2)CC1 ZINC001164829410 720349006 /nfs/dbraw/zinc/34/90/06/720349006.db2.gz SDLWGOOVXIBZOI-RTWAWAEBSA-N 1 0 445.571 2.727 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cncc(OCC3CCCC3)n2)CC1 ZINC001164829742 720352303 /nfs/dbraw/zinc/35/23/03/720352303.db2.gz UEPDAEVHOANUTL-SFTDATJTSA-N 1 0 427.593 2.957 20 0 IFADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821559 720354673 /nfs/dbraw/zinc/35/46/73/720354673.db2.gz BBIYYFLTIWOAKM-HOTGVXAUSA-N 1 0 443.926 2.595 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(CN(C)C(C)=O)nnc3C2)nc1 ZINC001164823648 720414775 /nfs/dbraw/zinc/41/47/75/720414775.db2.gz IPJVNTSJJAHBAT-HXUWFJFHSA-N 1 0 425.581 2.999 20 0 IFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1C ZINC001164731511 720427979 /nfs/dbraw/zinc/42/79/79/720427979.db2.gz LITDLMFUPVULHS-CVEARBPZSA-N 1 0 426.908 2.657 20 0 IFADRO O=C(C[C@@H]1OC[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@@H]21)N1CCCCC1 ZINC001164834069 720501936 /nfs/dbraw/zinc/50/19/36/720501936.db2.gz RHBLTDHDBWRAFH-FSSWDIPSSA-N 1 0 442.604 2.800 20 0 IFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc3c2ncn3Cc2ccccc2)C1 ZINC001164730800 720510295 /nfs/dbraw/zinc/51/02/95/720510295.db2.gz NMVNDLYEQCIGFX-QGZVFWFLSA-N 1 0 436.951 2.923 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4cc5c(cc43)OCCO5)CC[C@@H]21 ZINC001164833778 720518872 /nfs/dbraw/zinc/51/88/72/720518872.db2.gz DRIHFGGIDUAYMS-LQWHRVPQSA-N 1 0 434.544 2.975 20 0 IFADRO CCOC(=O)c1cc(Cl)nnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837194 720522044 /nfs/dbraw/zinc/52/20/44/720522044.db2.gz OJQNFXDSVMJJJU-SOLBZPMBSA-N 1 0 432.956 2.881 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc21 ZINC001164836113 720526660 /nfs/dbraw/zinc/52/66/60/720526660.db2.gz MTQKTKFQGCIXLM-NJNPRVFISA-N 1 0 434.544 2.991 20 0 IFADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839616 720548638 /nfs/dbraw/zinc/54/86/38/720548638.db2.gz QVLHKRYSXYZANI-YQVWRLOYSA-N 1 0 446.983 2.810 20 0 IFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164732669 720553959 /nfs/dbraw/zinc/55/39/59/720553959.db2.gz CIMDSCOMTWWJJA-UHFFFAOYSA-N 1 0 443.599 2.890 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)c(F)c4c3C(=O)NC4)CC[C@@H]21 ZINC001164837984 720556042 /nfs/dbraw/zinc/55/60/42/720556042.db2.gz NCQNYRRBWZSUTQ-DZKIICNBSA-N 1 0 432.931 2.692 20 0 IFADRO COC(=O)c1ccc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)n1 ZINC001164727090 720563361 /nfs/dbraw/zinc/56/33/61/720563361.db2.gz BCAFGZYYQJONEF-UHFFFAOYSA-N 1 0 439.894 2.922 20 0 IFADRO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736820 720585128 /nfs/dbraw/zinc/58/51/28/720585128.db2.gz UVMVKAFJCNEJDR-LJQANCHMSA-N 1 0 444.889 2.790 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ccc3S(C)(=O)=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844099 720592270 /nfs/dbraw/zinc/59/22/70/720592270.db2.gz YPTQZQZJOJCJHG-IXDOHACOSA-N 1 0 437.997 2.713 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(Cn4ccccc4=O)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839800 720611256 /nfs/dbraw/zinc/61/12/56/720611256.db2.gz OPBYVWLIHWIFCP-XPWALMASSA-N 1 0 432.572 2.866 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3CN(C)CC4)CC[C@@H]21 ZINC001164838177 720638133 /nfs/dbraw/zinc/63/81/33/720638133.db2.gz KGLCRTYGYONITN-UWVAXJGDSA-N 1 0 430.000 2.692 20 0 IFADRO C[C@@H]1C(=O)Nc2cnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2N1C ZINC001164844415 720692583 /nfs/dbraw/zinc/69/25/83/720692583.db2.gz RVYASOOFKDHCBC-MJGOQNOKSA-N 1 0 436.560 2.513 20 0 IFADRO CCNS(=O)(=O)c1cccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844525 720699902 /nfs/dbraw/zinc/69/99/02/720699902.db2.gz SRECIJOTOXNVFM-FQEVSTJZSA-N 1 0 444.601 2.640 20 0 IFADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744393 720721580 /nfs/dbraw/zinc/72/15/80/720721580.db2.gz ZPJCWPKZAHEXSM-LSDHHAIUSA-N 1 0 431.924 2.822 20 0 IFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1NC(=O)CS3)CC2 ZINC001164839822 720727938 /nfs/dbraw/zinc/72/79/38/720727938.db2.gz NJVYHJAWFOKPKS-QGZVFWFLSA-N 1 0 425.558 2.781 20 0 IFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)n1 ZINC001164836852 720736374 /nfs/dbraw/zinc/73/63/74/720736374.db2.gz GIMHXQFVIKTCMT-UHFFFAOYSA-N 1 0 425.915 2.990 20 0 IFADRO F[C@H](Oc1cncc(Cl)n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843100 720743977 /nfs/dbraw/zinc/74/39/77/720743977.db2.gz IMWIPDROJUYUGU-IBGZPJMESA-N 1 0 429.887 2.615 20 0 IFADRO Cc1ccc(-c2nc3c(ncnc3N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)o2)cc1 ZINC001164746994 720769348 /nfs/dbraw/zinc/76/93/48/720769348.db2.gz ZQMPSCYAZCJMGK-MSOLQXFVSA-N 1 0 429.484 2.725 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743531 720811976 /nfs/dbraw/zinc/81/19/76/720811976.db2.gz GOKMUZKLVZQEPD-GVDBMIGSSA-N 1 0 437.926 2.954 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1OC ZINC001164745060 720817258 /nfs/dbraw/zinc/81/72/58/720817258.db2.gz VZSMLBLDJRNJTJ-LVCYWYKZSA-N 1 0 449.559 2.618 20 0 IFADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739596 720821022 /nfs/dbraw/zinc/82/10/22/720821022.db2.gz HYSVMJNPJAHEJZ-SOLBZPMBSA-N 1 0 443.983 2.866 20 0 IFADRO Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)SCC2 ZINC001164741290 720822853 /nfs/dbraw/zinc/82/28/53/720822853.db2.gz NEAPPJLIDJWXRL-ZMSDIMECSA-N 1 0 431.997 2.749 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741900 720823943 /nfs/dbraw/zinc/82/39/43/720823943.db2.gz PBKVLUYFJXHBRG-QNWVGRARSA-N 1 0 446.555 2.992 20 0 IFADRO CCOc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164747319 720831933 /nfs/dbraw/zinc/83/19/33/720831933.db2.gz QDUUIAHHUAIVMF-SFYKDHMMSA-N 1 0 433.560 2.999 20 0 IFADRO CCOc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164747316 720832341 /nfs/dbraw/zinc/83/23/41/720832341.db2.gz QDUUIAHHUAIVMF-SELNLUPBSA-N 1 0 433.560 2.999 20 0 IFADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc(C)c2c1 ZINC001164744556 720834069 /nfs/dbraw/zinc/83/40/69/720834069.db2.gz KQCLXGOMDALQFB-DNVFCKCGSA-N 1 0 433.560 2.918 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750254 720838211 /nfs/dbraw/zinc/83/82/11/720838211.db2.gz WXAPPCIMDOSBQR-XGHQBKJUSA-N 1 0 437.523 2.748 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750250 720838471 /nfs/dbraw/zinc/83/84/71/720838471.db2.gz WXAPPCIMDOSBQR-CBGDNZLLSA-N 1 0 437.523 2.748 20 0 IFADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748360 720840951 /nfs/dbraw/zinc/84/09/51/720840951.db2.gz UKQRHMJULAMOEU-ZLQKVZTOSA-N 1 0 436.560 2.547 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)CC[C@@H]2C1 ZINC001164854315 720841618 /nfs/dbraw/zinc/84/16/18/720841618.db2.gz RCVFNDFYZLAHKI-MJGOQNOKSA-N 1 0 436.984 2.535 20 0 IFADRO CCOCc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742497 720842197 /nfs/dbraw/zinc/84/21/97/720842197.db2.gz HBYFICCGQCXBRU-YTQUADARSA-N 1 0 431.972 2.637 20 0 IFADRO COC(=O)c1ccc2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164750420 720844602 /nfs/dbraw/zinc/84/46/02/720844602.db2.gz XLCWLDDFOKIJCD-YTFSRNRJSA-N 1 0 446.555 2.992 20 0 IFADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccccn2)n1 ZINC001164740492 720845892 /nfs/dbraw/zinc/84/58/92/720845892.db2.gz BZKGXBINSILVGV-KCZVDYSFSA-N 1 0 430.560 2.818 20 0 IFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164753576 720853359 /nfs/dbraw/zinc/85/33/59/720853359.db2.gz YEBWEDYVRXZJJD-BHIFYINESA-N 1 0 436.608 2.828 20 0 IFADRO CCOC(=O)c1cc2c(N3CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164851579 720862788 /nfs/dbraw/zinc/86/27/88/720862788.db2.gz BCWLTKVRSJTEAF-PXNSSMCTSA-N 1 0 430.549 2.530 20 0 IFADRO Nc1nc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750496 720867295 /nfs/dbraw/zinc/86/72/95/720867295.db2.gz JEHGDFZODANQNT-PGRDOPGGSA-N 1 0 428.968 2.862 20 0 IFADRO O=C1Cc2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2N1 ZINC001164750039 720876655 /nfs/dbraw/zinc/87/66/55/720876655.db2.gz IKSIZSNHNJQSQZ-SQJMNOBHSA-N 1 0 433.556 2.726 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC[C@@H]2C1 ZINC001164864551 720878743 /nfs/dbraw/zinc/87/87/43/720878743.db2.gz WARYEZJOHRVTLJ-YLJYHZDGSA-N 1 0 436.984 2.535 20 0 IFADRO COc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749088 720880890 /nfs/dbraw/zinc/88/08/90/720880890.db2.gz GRWWMZJOJFYJMV-GCJKJVERSA-N 1 0 444.967 2.684 20 0 IFADRO CN(C)C(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164749783 720884880 /nfs/dbraw/zinc/88/48/80/720884880.db2.gz APTBEEGORDBZLF-OZXSUGGESA-N 1 0 449.599 2.934 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Oc4ccc(OC)cc4)nc(C)n3)CC[C@@H]2C1 ZINC001164858256 720886121 /nfs/dbraw/zinc/88/61/21/720886121.db2.gz KQAWACUQYXKLFW-WIYYLYMNSA-N 1 0 428.533 2.759 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC[C@@H]2C1 ZINC001164862167 720887436 /nfs/dbraw/zinc/88/74/36/720887436.db2.gz QYLMUABJZKZGTG-ZBFHGGJFSA-N 1 0 448.898 2.545 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC[C@H]2C1 ZINC001164855097 720893012 /nfs/dbraw/zinc/89/30/12/720893012.db2.gz AIOZCAPEQLRANQ-STQMWFEESA-N 1 0 447.939 2.544 20 0 IFADRO c1cn(-c2cncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cn1 ZINC001164757117 720898540 /nfs/dbraw/zinc/89/85/40/720898540.db2.gz SPQKDJJIBNBBHO-RDGATRHJSA-N 1 0 445.571 2.812 20 0 IFADRO CCn1cnc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753642 720911765 /nfs/dbraw/zinc/91/17/65/720911765.db2.gz RUEZXPGVICBIGD-SQJMNOBHSA-N 1 0 447.587 2.996 20 0 IFADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc4c(nn2)CCOC4)C3)c1 ZINC001164750178 720929420 /nfs/dbraw/zinc/92/94/20/720929420.db2.gz JOZBUYCOPKFQEB-WIOPSUGQSA-N 1 0 435.572 2.699 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3scnc3c(N3CCOCC3)n1)[C@H]2C ZINC001164859135 720944762 /nfs/dbraw/zinc/94/47/62/720944762.db2.gz KQDLOCVMZYCIFY-HNNXBMFYSA-N 1 0 442.593 2.541 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164754158 720963180 /nfs/dbraw/zinc/96/31/80/720963180.db2.gz NLFKHMOANZKCLH-UHFFFAOYSA-N 1 0 443.511 2.534 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncccc1OCc1ccc(F)cc1)CC2 ZINC001164753445 720964981 /nfs/dbraw/zinc/96/49/81/720964981.db2.gz FOKUHDMHUBIYQT-UHFFFAOYSA-N 1 0 439.491 2.642 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(-c3ccncc3)nc3sccc31)CC2 ZINC001164753625 720967247 /nfs/dbraw/zinc/96/72/47/720967247.db2.gz GSOFELRJGCVLAW-UHFFFAOYSA-N 1 0 449.540 2.595 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164754850 720967556 /nfs/dbraw/zinc/96/75/56/720967556.db2.gz YNRIZTZYLJXLSE-UHFFFAOYSA-N 1 0 438.557 2.611 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164754533 720969565 /nfs/dbraw/zinc/96/95/65/720969565.db2.gz TVYGMYBHAXXAQK-UHFFFAOYSA-N 1 0 425.320 2.503 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164753655 720970016 /nfs/dbraw/zinc/97/00/16/720970016.db2.gz HATHWSIPTCPOMG-UHFFFAOYSA-N 1 0 435.315 2.779 20 0 IFADRO CCOC(=O)N1CCc2nnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)cc2C1 ZINC001164862500 721002511 /nfs/dbraw/zinc/00/25/11/721002511.db2.gz STKZTFKVPQWDGI-MRXNPFEDSA-N 1 0 427.553 2.609 20 0 IFADRO CC(C)(C)OC(=O)Nc1nccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867967 721071298 /nfs/dbraw/zinc/07/12/98/721071298.db2.gz LLSNDNSQKBAADB-QZTJIDSGSA-N 1 0 426.521 2.698 20 0 IFADRO CC(C)(C)OC(=O)Nc1nccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867968 721071582 /nfs/dbraw/zinc/07/15/82/721071582.db2.gz LLSNDNSQKBAADB-ROUUACIJSA-N 1 0 426.521 2.698 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4C(=O)NCc4ccccc4)C[C@H]3C2)cn1 ZINC001164773090 721084938 /nfs/dbraw/zinc/08/49/38/721084938.db2.gz WATBHAFEDVUSIH-FCHUYYIVSA-N 1 0 430.556 2.703 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)C[C@H]3C2)cn1 ZINC001164761505 721086868 /nfs/dbraw/zinc/08/68/68/721086868.db2.gz BLOMKRMPYYNZOE-DHIUTWEWSA-N 1 0 443.599 2.727 20 0 IFADRO CCOC(=O)c1cc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2s1 ZINC001164864849 721114697 /nfs/dbraw/zinc/11/46/97/721114697.db2.gz GVVVXOWGVIRTBK-IRXDYDNUSA-N 1 0 439.541 2.743 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865803 721119190 /nfs/dbraw/zinc/11/91/90/721119190.db2.gz PQDXWWCRHGLDQV-IAGOWNOFSA-N 1 0 427.940 2.935 20 0 IFADRO COc1cc2nc(Cl)c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2cc1OC ZINC001164765180 721137745 /nfs/dbraw/zinc/13/77/45/721137745.db2.gz JEEAGNAZVNSPNA-CVEARBPZSA-N 1 0 442.951 2.992 20 0 IFADRO CC1CCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2)CC1 ZINC001164871028 721141546 /nfs/dbraw/zinc/14/15/46/721141546.db2.gz CZIGRZBODUWEQL-PKTZIBPZSA-N 1 0 435.572 2.828 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164761699 721150499 /nfs/dbraw/zinc/15/04/99/721150499.db2.gz AKONXJLPDYOCNM-FUHWJXTLSA-N 1 0 430.984 2.955 20 0 IFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164771801 721150585 /nfs/dbraw/zinc/15/05/85/721150585.db2.gz UDOJGKMDJUSMSA-ZBFHGGJFSA-N 1 0 439.894 2.758 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C[C@H]3C2)cn1 ZINC001164768129 721151050 /nfs/dbraw/zinc/15/10/50/721151050.db2.gz NJDBSSYTDQALLB-IAGOWNOFSA-N 1 0 430.984 2.955 20 0 IFADRO c1nc2c(ncnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1-c1ccccc1 ZINC001164880675 721173284 /nfs/dbraw/zinc/17/32/84/721173284.db2.gz WVOSUIJZFZPYSH-NHCUHLMSSA-N 1 0 427.512 2.690 20 0 IFADRO COc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(Cl)n1 ZINC001164868449 721191390 /nfs/dbraw/zinc/19/13/90/721191390.db2.gz MWOCDUIJJYXVKI-CABCVRRESA-N 1 0 425.867 2.558 20 0 IFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164772351 721193860 /nfs/dbraw/zinc/19/38/60/721193860.db2.gz SRDJXAITMSSVKJ-GJZGRUSLSA-N 1 0 439.894 2.758 20 0 IFADRO COc1ccc(-c2ccc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)c(OC)c1 ZINC001164769205 721218192 /nfs/dbraw/zinc/21/81/92/721218192.db2.gz LVJDSDOUZMRHGQ-RTBURBONSA-N 1 0 434.544 2.853 20 0 IFADRO COC(=O)c1nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c2ccccc2c1OC ZINC001164773366 721222988 /nfs/dbraw/zinc/22/29/88/721222988.db2.gz WSMWXUIEUFYABT-MSOLQXFVSA-N 1 0 435.528 2.722 20 0 IFADRO COc1ccc(CN(C)c2ccnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164767952 721231040 /nfs/dbraw/zinc/23/10/40/721231040.db2.gz XGTFQMQPEYNYGD-FGZHOGPDSA-N 1 0 447.587 2.813 20 0 IFADRO COc1ccc(CN(C)c2ccnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1 ZINC001164767954 721233892 /nfs/dbraw/zinc/23/38/92/721233892.db2.gz XGTFQMQPEYNYGD-YADHBBJMSA-N 1 0 447.587 2.813 20 0 IFADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@H]5OCCN(c6cnccn6)[C@@H]5C4)ccc3C2)cc1 ZINC001164761922 721261021 /nfs/dbraw/zinc/26/10/21/721261021.db2.gz KJQAWKFADSLMMA-DHIUTWEWSA-N 1 0 428.540 2.524 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(-c4ccnc(Cl)c4)ccn3)CC2)C1 ZINC001164870315 721266828 /nfs/dbraw/zinc/26/68/28/721266828.db2.gz VQGOBLBJKNWAHI-UHFFFAOYSA-N 1 0 443.979 2.804 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3c(CNC(=O)c4ccno4)cnc3C2)nc1 ZINC001164767028 721268825 /nfs/dbraw/zinc/26/88/25/721268825.db2.gz QAXUTNRIAYFFMY-IBGZPJMESA-N 1 0 435.532 2.763 20 0 IFADRO Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164868526 721274397 /nfs/dbraw/zinc/27/43/97/721274397.db2.gz AJGQIZJEYNOFRM-UHFFFAOYSA-N 1 0 430.927 2.595 20 0 IFADRO Cc1cc(-c2ccccc2F)nnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164874937 721290767 /nfs/dbraw/zinc/29/07/67/721290767.db2.gz FMWJXOYKFFRVKQ-UHFFFAOYSA-N 1 0 441.551 2.598 20 0 IFADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164878619 721291475 /nfs/dbraw/zinc/29/14/75/721291475.db2.gz ROMLCIHWXUZJCQ-UHFFFAOYSA-N 1 0 441.551 2.598 20 0 IFADRO Cc1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1-c1ccccc1F ZINC001164879075 721292003 /nfs/dbraw/zinc/29/20/03/721292003.db2.gz UNUQYVXGQNENBF-UHFFFAOYSA-N 1 0 441.551 2.598 20 0 IFADRO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164879625 721292135 /nfs/dbraw/zinc/29/21/35/721292135.db2.gz XLDLNJMFOJYQCQ-MRXNPFEDSA-N 1 0 438.016 2.959 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)ncc3C(N)=O)C2)C1 ZINC001164778080 721336250 /nfs/dbraw/zinc/33/62/50/721336250.db2.gz UGIFDFNIGYTPCZ-OAQYLSRUSA-N 1 0 433.940 2.558 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)nc1 ZINC001164881787 721338855 /nfs/dbraw/zinc/33/88/55/721338855.db2.gz AWEOUQRWKCEOSI-FBLLAGFSSA-N 1 0 442.604 2.720 20 0 IFADRO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]2C1 ZINC001164883795 721350550 /nfs/dbraw/zinc/35/05/50/721350550.db2.gz MCCVWUIVKWOADH-FCHUYYIVSA-N 1 0 436.556 2.534 20 0 IFADRO COc1cnc2c(c1)ncnc2N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782922 721362752 /nfs/dbraw/zinc/36/27/52/721362752.db2.gz NIENCCZJAPBZHJ-QHCPKHFHSA-N 1 0 438.532 2.757 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CSCC5)C3)O2)CC1 ZINC001164887761 721389516 /nfs/dbraw/zinc/38/95/16/721389516.db2.gz IFLQFISRHDOEPY-IERDGZPVSA-N 1 0 438.041 2.685 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(C(=O)OC(C)(C)C)ccn4)C3)O2)CC1 ZINC001164887390 721389633 /nfs/dbraw/zinc/38/96/33/721389633.db2.gz HXMOZNGRCNOZRA-YKSBVNFPSA-N 1 0 430.593 2.802 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164891872 721399379 /nfs/dbraw/zinc/39/93/79/721399379.db2.gz RBXMGWODECLBOE-QFBILLFUSA-N 1 0 430.927 2.925 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164887411 721399741 /nfs/dbraw/zinc/39/97/41/721399741.db2.gz HZQLNQCNKFPMEN-PKOBYXMFSA-N 1 0 430.927 2.925 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164883945 721401156 /nfs/dbraw/zinc/40/11/56/721401156.db2.gz CTBVYODQIDGVCS-CVDCTZTESA-N 1 0 442.995 2.957 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164888893 721404046 /nfs/dbraw/zinc/40/40/46/721404046.db2.gz PDLUIQHCFKQXNO-PXDATVDWSA-N 1 0 438.572 2.787 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164886591 721404198 /nfs/dbraw/zinc/40/41/98/721404198.db2.gz KGOTZLAHGLSLGF-PXDATVDWSA-N 1 0 438.572 2.787 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164888891 721404215 /nfs/dbraw/zinc/40/42/15/721404215.db2.gz PDLUIQHCFKQXNO-OFVILXPXSA-N 1 0 438.572 2.787 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ccc2c1 ZINC001164883963 721406101 /nfs/dbraw/zinc/40/61/01/721406101.db2.gz CTJQQOCBEBVRNY-SQJMNOBHSA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(C(=O)OC(C)(C)C)cn4)C3)O2)CC1 ZINC001164892969 721410551 /nfs/dbraw/zinc/41/05/51/721410551.db2.gz ZPIYNKQSRGXZLP-HYBUGGRVSA-N 1 0 430.593 2.802 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164890366 721414273 /nfs/dbraw/zinc/41/42/73/721414273.db2.gz SGTSUUYSWOUXCN-AVRDEDQJSA-N 1 0 436.984 2.677 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4N)C3)O2)CC1 ZINC001164886243 721414481 /nfs/dbraw/zinc/41/44/81/721414481.db2.gz IJXDUDODPVOBSI-DNVCBOLYSA-N 1 0 429.943 2.628 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164885791 721416522 /nfs/dbraw/zinc/41/65/22/721416522.db2.gz HJEYTEIDMTYOOB-MGPUTAFESA-N 1 0 437.013 2.814 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164884654 721419884 /nfs/dbraw/zinc/41/98/84/721419884.db2.gz FHAFHYJUVHTKHN-HYBUGGRVSA-N 1 0 430.593 2.641 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883496 721422651 /nfs/dbraw/zinc/42/26/51/721422651.db2.gz ADSPDSQIGUXLGQ-CPJSRVTESA-N 1 0 438.572 2.787 20 0 IFADRO CCOC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164892374 721427454 /nfs/dbraw/zinc/42/74/54/721427454.db2.gz IJVPAEIKLJAERK-HTAPYJJXSA-N 1 0 436.984 2.677 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C3)O2)CC1 ZINC001164894310 721427701 /nfs/dbraw/zinc/42/77/01/721427701.db2.gz LLSUVIQCQMZAPI-KDOFPFPSSA-N 1 0 447.983 2.729 20 0 IFADRO CCOC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164892378 721427772 /nfs/dbraw/zinc/42/77/72/721427772.db2.gz IJVPAEIKLJAERK-VGOFRKELSA-N 1 0 436.984 2.677 20 0 IFADRO COc1ccccc1-c1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164899807 721437962 /nfs/dbraw/zinc/43/79/62/721437962.db2.gz ZDZZITUNRVGEAX-NBGIEHNGSA-N 1 0 437.588 2.918 20 0 IFADRO Cc1nc(-c2ccncc2)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164893003 721442060 /nfs/dbraw/zinc/44/20/60/721442060.db2.gz INMMGWWDOHSGTN-WIOPSUGQSA-N 1 0 436.604 2.921 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890860 721447841 /nfs/dbraw/zinc/44/78/41/721447841.db2.gz SUMQPLFXNVMLSS-IEBWSBKVSA-N 1 0 430.927 2.925 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(-c5ccncc5)n4)C3)O2)CC1 ZINC001164884934 721448591 /nfs/dbraw/zinc/44/85/91/721448591.db2.gz CUWQQLXBEIVKNR-XXBNENTESA-N 1 0 442.995 2.957 20 0 IFADRO CCOC(=O)c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164788748 721450012 /nfs/dbraw/zinc/45/00/12/721450012.db2.gz UCGBZQHCVHBOLJ-OAQYLSRUSA-N 1 0 431.577 2.992 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(F)cc1C(=O)OC)CC2 ZINC001164787831 721451366 /nfs/dbraw/zinc/45/13/66/721451366.db2.gz QWUBBOXROXVUER-IBGZPJMESA-N 1 0 435.540 2.741 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(Cl)c(C(N)=O)n1)CC2 ZINC001164784311 721452043 /nfs/dbraw/zinc/45/20/43/721452043.db2.gz DSDMXMVSQFTKSL-QGZVFWFLSA-N 1 0 436.984 2.568 20 0 IFADRO CCOC(=O)Cc1cccnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164785977 721453561 /nfs/dbraw/zinc/45/35/61/721453561.db2.gz KQEJRQKYQGXNNG-QFIPXVFZSA-N 1 0 445.604 2.921 20 0 IFADRO CCOC(=O)c1cc(C)nc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164789284 721455066 /nfs/dbraw/zinc/45/50/66/721455066.db2.gz UJZUOHZQRGPOAL-HXUWFJFHSA-N 1 0 446.592 2.696 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc(Cl)n1)CC2 ZINC001164786010 721455344 /nfs/dbraw/zinc/45/53/44/721455344.db2.gz LZDPPFQOUAKZSG-OAHLLOKOSA-N 1 0 430.380 2.912 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cc1C)CC2 ZINC001164783605 721455648 /nfs/dbraw/zinc/45/56/48/721455648.db2.gz CJNPAVRVAUTABL-OAQYLSRUSA-N 1 0 431.577 2.911 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)nc(SC)n1)CC2 ZINC001164786618 721459658 /nfs/dbraw/zinc/45/96/58/721459658.db2.gz ORBFKQHCCBKYIU-GOSISDBHSA-N 1 0 436.622 2.941 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1[C@H](C)CC(=O)N3)CC2 ZINC001164782379 721460436 /nfs/dbraw/zinc/46/04/36/721460436.db2.gz ALZPMGHRMBHSDE-IEBWSBKVSA-N 1 0 443.592 2.656 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)nccc1C(N)=O)CC2 ZINC001164789978 721471225 /nfs/dbraw/zinc/47/12/25/721471225.db2.gz PRCXTXPHBZBWEB-QGZVFWFLSA-N 1 0 436.984 2.568 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@H](F)Oc1ccc(Cl)nn1)CC2 ZINC001164790655 721473836 /nfs/dbraw/zinc/47/38/36/721473836.db2.gz TYGKHWOZTIXWJA-PXNSSMCTSA-N 1 0 442.963 2.991 20 0 IFADRO C[N@H+](Cc1ccc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@@H]3C2)nc1)C1CC1 ZINC001164894530 721479177 /nfs/dbraw/zinc/47/91/77/721479177.db2.gz NNDFOLAMTDXNPI-KNKQGSTJSA-N 1 0 430.568 2.725 20 0 IFADRO C[N@H+](Cc1ccc(N2C[C@@H]3COC[C@H](CC(=O)N4CCC(F)CC4)[C@@H]3C2)nc1)C1CC1 ZINC001164894525 721479321 /nfs/dbraw/zinc/47/93/21/721479321.db2.gz NNDFOLAMTDXNPI-JQVVWYNYSA-N 1 0 430.568 2.725 20 0 IFADRO CN1c2cnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2N2CCC[C@@H]2C1=O ZINC001164791502 721495811 /nfs/dbraw/zinc/49/58/11/721495811.db2.gz CUKMFTIGZVCWGE-HXUWFJFHSA-N 1 0 447.587 2.698 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc4nc(Cl)cnc4cc2Cl)CC3)CC1 ZINC001164794553 721512715 /nfs/dbraw/zinc/51/27/15/721512715.db2.gz RWWALEWWCRTKSH-UHFFFAOYSA-N 1 0 432.359 2.901 20 0 IFADRO Cc1nc2sc3c(c2c(N2CCn4cc(CN5CC[NH+](C)CC5)nc4C2)n1)CCCC3 ZINC001164797765 721518763 /nfs/dbraw/zinc/51/87/63/721518763.db2.gz MPWXBZRXBASLSK-UHFFFAOYSA-N 1 0 437.617 2.843 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccccn4)nc4sccc42)CC3)CC1 ZINC001164794727 721521203 /nfs/dbraw/zinc/52/12/03/721521203.db2.gz HCBHOSWTXDCIEY-UHFFFAOYSA-N 1 0 446.584 2.717 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4c(Cl)cccc4nc2Cl)CC3)CC1 ZINC001164794571 721521300 /nfs/dbraw/zinc/52/13/00/721521300.db2.gz FZVOSVGLTAJHNN-UHFFFAOYSA-N 1 0 432.359 2.901 20 0 IFADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909756 721529593 /nfs/dbraw/zinc/52/95/93/721529593.db2.gz RSTZWZFTFFLPIG-WBVHZDCISA-N 1 0 434.899 2.717 20 0 IFADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)cc-2n1 ZINC001164912388 721532467 /nfs/dbraw/zinc/53/24/67/721532467.db2.gz ZMLAPZJYDHXVIO-RDJZCZTQSA-N 1 0 440.475 2.839 20 0 IFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc4c(cc32)OCCO4)[C@@H]2CCCO[C@@H]12 ZINC001164806635 721536649 /nfs/dbraw/zinc/53/66/49/721536649.db2.gz PKFUJWOSIZDSCK-TXTKFYIRSA-N 1 0 433.512 2.664 20 0 IFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)[nH]1 ZINC001164908806 721542486 /nfs/dbraw/zinc/54/24/86/721542486.db2.gz QQKFEIWJMMRONU-ZFWWWQNUSA-N 1 0 445.882 2.879 20 0 IFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164903137 721553321 /nfs/dbraw/zinc/55/33/21/721553321.db2.gz AYLYHHQYPCGOTG-ICSRJNTNSA-N 1 0 448.564 2.593 20 0 IFADRO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)CC[N@@H+]3C2)c1 ZINC001164904716 721554629 /nfs/dbraw/zinc/55/46/29/721554629.db2.gz FKYLQCGEROEHCY-JSGCOSHPSA-N 1 0 438.841 2.984 20 0 IFADRO CCOC(=O)[C@@H]1CCc2nnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)cc2C1 ZINC001164905885 721567899 /nfs/dbraw/zinc/56/78/99/721567899.db2.gz HQTLTCHXMUKKRX-PBEJRMEISA-N 1 0 440.519 2.626 20 0 IFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cn3ccccc3=O)cn2)[C@@H]2CCCO[C@H]21 ZINC001164803421 721580971 /nfs/dbraw/zinc/58/09/71/721580971.db2.gz IAWITGCJPFAJLN-TZBSWOFLSA-N 1 0 431.540 2.555 20 0 IFADRO Cc1cccc(CN2CCO[C@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@@H]3C2=O)n1 ZINC001164802697 721603032 /nfs/dbraw/zinc/60/30/32/721603032.db2.gz SUVSDEHKOJKPOI-GOTSBHOMSA-N 1 0 435.572 2.633 20 0 IFADRO Cc1cccc(CN2CCO[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3C2=O)n1 ZINC001164804149 721603219 /nfs/dbraw/zinc/60/32/19/721603219.db2.gz XNMMUJIBQPTLJT-PKTZIBPZSA-N 1 0 435.572 2.635 20 0 IFADRO O=C(NC1CC1)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164911201 721729918 /nfs/dbraw/zinc/72/99/18/721729918.db2.gz IQIMGGFTBBSRQT-OAQYLSRUSA-N 1 0 428.487 2.502 20 0 IFADRO Cc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(NC(=O)c2ccccc2)n1 ZINC001165013146 721747971 /nfs/dbraw/zinc/74/79/71/721747971.db2.gz VSKGUJZFYNIOHV-UHFFFAOYSA-N 1 0 436.560 2.560 20 0 IFADRO O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21 ZINC001165013509 721753953 /nfs/dbraw/zinc/75/39/53/721753953.db2.gz MZQKYKFYPHKYJV-WXFUMESZSA-N 1 0 449.599 2.663 20 0 IFADRO COC(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C(=O)OC ZINC001165021496 721803105 /nfs/dbraw/zinc/80/31/05/721803105.db2.gz HGYLZHDYQBKWPX-PWIZWCRZSA-N 1 0 438.528 2.787 20 0 IFADRO CCOC(=O)c1cnc(OC)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027103 721810157 /nfs/dbraw/zinc/81/01/57/721810157.db2.gz SFEIHMVSJMYDQK-VDGAXYAQSA-N 1 0 425.533 2.794 20 0 IFADRO COC(=O)c1nc2cnccc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165022631 721816125 /nfs/dbraw/zinc/81/61/25/721816125.db2.gz GHBJLJRKTRMEGQ-LRQRDZAKSA-N 1 0 432.528 2.943 20 0 IFADRO CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165028294 721823797 /nfs/dbraw/zinc/82/37/97/721823797.db2.gz VCTYJVTXRSKFLB-YUXAGFNASA-N 1 0 443.617 2.900 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3S(N)(=O)=O)C[C@H]21 ZINC001165025758 721827886 /nfs/dbraw/zinc/82/78/86/721827886.db2.gz NTINIINEXWBGSP-USXIJHARSA-N 1 0 435.981 2.514 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3S(N)(=O)=O)C[C@H]21 ZINC001165025756 721828040 /nfs/dbraw/zinc/82/80/40/721828040.db2.gz NTINIINEXWBGSP-DJIMGWMZSA-N 1 0 435.981 2.514 20 0 IFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncccc2C(=O)N(C)OC)CC1 ZINC001165022980 721842422 /nfs/dbraw/zinc/84/24/22/721842422.db2.gz VANXNNWRPQAFHK-UHFFFAOYSA-N 1 0 428.533 2.833 20 0 IFADRO COC(=O)CSc1cncc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165020258 721844341 /nfs/dbraw/zinc/84/43/41/721844341.db2.gz BFKGJZKTMRYOLR-UHFFFAOYSA-N 1 0 446.573 2.860 20 0 IFADRO CNC(=O)c1cc(Cl)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165031149 721845176 /nfs/dbraw/zinc/84/51/76/721845176.db2.gz VFNCPMDUXMOSSK-UHFFFAOYSA-N 1 0 433.940 2.608 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(Cc3nc(OC)cc(OC)n3)CC2)nc1 ZINC001165029915 721851260 /nfs/dbraw/zinc/85/12/60/721851260.db2.gz QFGUNJRPZAKGHM-LJQANCHMSA-N 1 0 426.565 2.758 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(Cc3nc(OC)cc(OC)n3)CC2)nc1 ZINC001165029912 721851304 /nfs/dbraw/zinc/85/13/04/721851304.db2.gz QFGUNJRPZAKGHM-IBGZPJMESA-N 1 0 426.565 2.758 20 0 IFADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]([NH+](C)C)C3)c2c1C ZINC001165035782 721896120 /nfs/dbraw/zinc/89/61/20/721896120.db2.gz OLQKYLNNFRDBQN-MRXNPFEDSA-N 1 0 447.605 2.539 20 0 IFADRO CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)[nH+]cc21 ZINC001164948330 721977849 /nfs/dbraw/zinc/97/78/49/721977849.db2.gz XPBNRDYDJIARTK-UHFFFAOYSA-N 1 0 447.539 2.711 20 0 IFADRO CS(=O)(=O)N1C[C@H]2CCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@H]2C1 ZINC001164948210 721983119 /nfs/dbraw/zinc/98/31/19/721983119.db2.gz JYBGOXSNDYDRMY-IRLDBZIGSA-N 1 0 426.586 2.500 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1C ZINC001164960723 722059465 /nfs/dbraw/zinc/05/94/65/722059465.db2.gz JHYJSRQCFWZWLJ-UHFFFAOYSA-N 1 0 441.967 2.839 20 0 IFADRO CN(C)C(=O)c1cc2cnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2n1C1CCCC1 ZINC001164967575 722072079 /nfs/dbraw/zinc/07/20/79/722072079.db2.gz QIPKKYBUAVUTDJ-BGYRXZFFSA-N 1 0 438.576 2.548 20 0 IFADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967458 722074249 /nfs/dbraw/zinc/07/42/49/722074249.db2.gz QTFFRZYFFYKSMM-CALCHBBNSA-N 1 0 432.565 2.657 20 0 IFADRO CS(=O)(=O)N1C[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2c2ccccc21 ZINC001164973999 722090332 /nfs/dbraw/zinc/09/03/32/722090332.db2.gz LXRGHEVPWQNQML-UYAOXDASSA-N 1 0 442.585 2.556 20 0 IFADRO COC(=O)c1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164983436 722104596 /nfs/dbraw/zinc/10/45/96/722104596.db2.gz QDPCPOQLZFEKCN-SIKLNZKXSA-N 1 0 433.512 2.539 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164975518 722104871 /nfs/dbraw/zinc/10/48/71/722104871.db2.gz CDJOQRMFBNHJJS-KNQAVFIVSA-N 1 0 433.512 2.539 20 0 IFADRO CC(C)(C)OC(=O)Nc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164985282 722105417 /nfs/dbraw/zinc/10/54/17/722105417.db2.gz WEUUNYNYBUKNLN-OALUTQOASA-N 1 0 440.548 2.946 20 0 IFADRO CC(C)(C)OC(=O)Nc1nccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982716 722109606 /nfs/dbraw/zinc/10/96/06/722109606.db2.gz XTZOUBHKEIEWCN-MOPGFXCFSA-N 1 0 440.548 2.946 20 0 IFADRO COc1nc(-c2ccccc2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164973280 722127323 /nfs/dbraw/zinc/12/73/23/722127323.db2.gz GYCSMKALNWDOLA-RTWAWAEBSA-N 1 0 432.528 2.670 20 0 IFADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972847 722133772 /nfs/dbraw/zinc/13/37/72/722133772.db2.gz AXRNLMWSLXOKEI-VZXQUVTFSA-N 1 0 447.539 2.871 20 0 IFADRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(c3ncccc3C[NH+]3CCCC3)C[C@H]12 ZINC001164990327 722187359 /nfs/dbraw/zinc/18/73/59/722187359.db2.gz LPBXSYUZQABFLT-UPVQGACJSA-N 1 0 440.613 2.859 20 0 IFADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164993067 722187633 /nfs/dbraw/zinc/18/76/33/722187633.db2.gz YBYGWEDJKXDVKP-FQEVSTJZSA-N 1 0 430.593 2.658 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)nc1 ZINC001165001546 722239848 /nfs/dbraw/zinc/23/98/48/722239848.db2.gz IRSSDBIDKHPSBD-HSZRJFAPSA-N 1 0 435.620 2.776 20 0 IFADRO COc1ccc2nc(Cl)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1 ZINC001165000641 722250613 /nfs/dbraw/zinc/25/06/13/722250613.db2.gz IHWBTIHVLSCWQW-UHFFFAOYSA-N 1 0 430.940 2.977 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccnc(NC(=O)OC(C)(C)C)n1)CCC2 ZINC001165000178 722252372 /nfs/dbraw/zinc/25/23/72/722252372.db2.gz LGIHKVJSLIZJNW-UHFFFAOYSA-N 1 0 431.541 2.509 20 0 IFADRO CC1CCN(C(=O)c2cccnc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)CC1 ZINC001165003368 722256479 /nfs/dbraw/zinc/25/64/79/722256479.db2.gz AKXOBRZOZNMRRV-UHFFFAOYSA-N 1 0 440.592 2.639 20 0 IFADRO COc1cc2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)cc2cc1OC ZINC001165004018 722256666 /nfs/dbraw/zinc/25/66/66/722256666.db2.gz LMSQBXFYAWTVNC-UHFFFAOYSA-N 1 0 425.533 2.937 20 0 IFADRO Cc1nc(CO[C@@H]2COC3(C2)CCN(c2cccc(N4CC[NH+](C)CC4)n2)CC3)cs1 ZINC001165005205 722273004 /nfs/dbraw/zinc/27/30/04/722273004.db2.gz FSEONLUROIZOIQ-FQEVSTJZSA-N 1 0 443.617 2.943 20 0 IFADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CCC3(CC([NH3+])C3)CC2)C1=O ZINC001164386905 718802134 /nfs/dbraw/zinc/80/21/34/718802134.db2.gz HBBHUISDZASVHG-OAQYLSRUSA-N 1 0 436.963 2.725 20 0 IFADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C[C@@H]3CCO)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164392377 718811103 /nfs/dbraw/zinc/81/11/03/718811103.db2.gz MDNUNDGTOFLCOI-OALUTQOASA-N 1 0 444.620 2.869 20 0 IFADRO OC[C@]12C[NH2+]C[C@@H]1CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164402489 718853276 /nfs/dbraw/zinc/85/32/76/718853276.db2.gz FOKYQDOADKMHJU-WAIKUNEKSA-N 1 0 427.618 2.574 20 0 IFADRO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3CCCO[C@@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164419465 718899778 /nfs/dbraw/zinc/89/97/78/718899778.db2.gz ARMGOWROPHHSNP-LVCYWYKZSA-N 1 0 430.593 2.886 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(C)n1)C2 ZINC001164434541 718968258 /nfs/dbraw/zinc/96/82/58/718968258.db2.gz SOYXIZUFVNVSRW-UONOGXRCSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164435097 718968406 /nfs/dbraw/zinc/96/84/06/718968406.db2.gz YZMHSDVGPUMXGW-KGLIPLIRSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164435043 718969325 /nfs/dbraw/zinc/96/93/25/718969325.db2.gz YAUSKUOZXZKMOG-KGLIPLIRSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(C)nnc1Cl)C2 ZINC001164431791 718971050 /nfs/dbraw/zinc/97/10/50/718971050.db2.gz BOPXATBSYAOPFB-KGLIPLIRSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164619908 719010568 /nfs/dbraw/zinc/01/05/68/719010568.db2.gz XNAPPYWCPBVYHY-IFXJQAMLSA-N 1 0 444.910 2.747 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(OC)nc(Cl)n1)C2 ZINC001164614712 719011662 /nfs/dbraw/zinc/01/16/62/719011662.db2.gz GEZPCIOAFMNSRJ-DJJJIMSYSA-N 1 0 444.910 2.833 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC2)CC1 ZINC001164614013 719022327 /nfs/dbraw/zinc/02/23/27/719022327.db2.gz KROILAXLOOKGGA-UHFFFAOYSA-N 1 0 444.910 2.623 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4ccc(C(=O)OC)cc4n3)CC2)CC1 ZINC001164613933 719022703 /nfs/dbraw/zinc/02/27/03/719022703.db2.gz KFUAVVRQSDSJIJ-UHFFFAOYSA-N 1 0 426.517 2.660 20 0 IFADRO O=S(=O)(c1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1)N1CCCC1 ZINC001164632495 719104217 /nfs/dbraw/zinc/10/42/17/719104217.db2.gz ZOSPAVSQTLNHMG-RBBKRZOGSA-N 1 0 426.586 2.967 20 0 IFADRO [NH3+]C1([C@@H]2CN([C@@]3(F)CN(C4CCCC4)c4nc(Cl)ncc4NC3=O)C[C@H]2CF)CC1 ZINC001164619483 719121496 /nfs/dbraw/zinc/12/14/96/719121496.db2.gz DMPPJTQNEIFMCT-ZGLRSVDFSA-N 1 0 440.926 2.506 20 0 IFADRO COCCN1CCN(C)C2(CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC2)C1=O ZINC001164644725 719280995 /nfs/dbraw/zinc/28/09/95/719280995.db2.gz SKDMDPOSCKXYTI-UHFFFAOYSA-N 1 0 437.588 2.594 20 0 IFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CCN3C)nc1 ZINC001164644950 719284379 /nfs/dbraw/zinc/28/43/79/719284379.db2.gz XNEICIUBVGWGNK-QFIPXVFZSA-N 1 0 443.636 2.778 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1)C1CC1 ZINC001164654113 719322317 /nfs/dbraw/zinc/32/23/17/719322317.db2.gz OPUXSLSMZQEOOJ-DEOSSOPVSA-N 1 0 437.519 2.857 20 0 IFADRO Cc1nc(CN2C(=O)CCC23CCN(c2cccc(N4CC[NH+](C)CC4)n2)CC3)cs1 ZINC001164684755 719594561 /nfs/dbraw/zinc/59/45/61/719594561.db2.gz JTAWYIXROBYZAN-UHFFFAOYSA-N 1 0 440.617 2.760 20 0 IFADRO CC(C)N(C)Cc1nn(-c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c2c1CC[NH2+]C2 ZINC001164679765 719642660 /nfs/dbraw/zinc/64/26/60/719642660.db2.gz MMMCHXUODXZZPG-UHFFFAOYSA-N 1 0 434.544 2.977 20 0 IFADRO COc1ncnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164685621 719666604 /nfs/dbraw/zinc/66/66/04/719666604.db2.gz VOIOXOVVHQUWSF-IBGZPJMESA-N 1 0 437.588 2.887 20 0 IFADRO COc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)n1 ZINC001164682907 719667037 /nfs/dbraw/zinc/66/70/37/719667037.db2.gz QCZJIILGVUYBAR-IBGZPJMESA-N 1 0 437.588 2.887 20 0 IFADRO CCOC(=O)c1cc2c(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)[nH]c(C)c(C)c-2n1 ZINC001164684407 719726630 /nfs/dbraw/zinc/72/66/30/719726630.db2.gz HAIBDUSRYPYCEV-UHFFFAOYSA-N 1 0 427.549 2.537 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164690243 719743007 /nfs/dbraw/zinc/74/30/07/719743007.db2.gz WOSPCWVHNCUXDQ-UHFFFAOYSA-N 1 0 433.984 2.588 20 0 IFADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ccnc(N4CCN(C)CC4)n2)CC3)cs1 ZINC001164693520 719815122 /nfs/dbraw/zinc/81/51/22/719815122.db2.gz VZEAIDDEUVSMIY-UHFFFAOYSA-N 1 0 427.622 2.628 20 0 IFADRO Cc1noc([C@]23COC[C@H]2CN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)C3)n1 ZINC001164808564 720064184 /nfs/dbraw/zinc/06/41/84/720064184.db2.gz IELYWIBKNCFQBY-DNVCBOLYSA-N 1 0 437.878 2.752 20 0 IFADRO CCOC(=O)c1cncnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164712151 720092393 /nfs/dbraw/zinc/09/23/93/720092393.db2.gz VZZPAVFOSCGLSQ-IBGZPJMESA-N 1 0 425.533 2.556 20 0 IFADRO CCOC(=O)c1cc(C)nc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164719517 720107532 /nfs/dbraw/zinc/10/75/32/720107532.db2.gz XYQMHXQDBQXSDP-HXUWFJFHSA-N 1 0 439.560 2.864 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1N1CCOCC1)C2 ZINC001164812088 720112549 /nfs/dbraw/zinc/11/25/49/720112549.db2.gz OMAOXOAJZHLBDD-NBGIEHNGSA-N 1 0 437.588 2.651 20 0 IFADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)cn1 ZINC001164716964 720114884 /nfs/dbraw/zinc/11/48/84/720114884.db2.gz MLUFEOFNPOANFF-IBGZPJMESA-N 1 0 425.533 2.556 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1[C@@H](C)CC(=O)N3)CC2 ZINC001164718642 720120223 /nfs/dbraw/zinc/12/02/23/720120223.db2.gz UEOFFPPMZHORCW-PKOBYXMFSA-N 1 0 436.560 2.825 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3ccc(=O)n(C)c3n1)CC2 ZINC001164717477 720120834 /nfs/dbraw/zinc/12/08/34/720120834.db2.gz PHVKOKSQERGNPN-OAQYLSRUSA-N 1 0 433.556 2.836 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc3c1CNC3=O)CC2 ZINC001164719659 720126263 /nfs/dbraw/zinc/12/62/63/720126263.db2.gz ZTTUGYHBWOXYDU-KRWDZBQOSA-N 1 0 441.963 2.881 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)C2 ZINC001164809160 720148198 /nfs/dbraw/zinc/14/81/98/720148198.db2.gz HKVBKJYVKFFLRE-MHECFPHRSA-N 1 0 430.593 2.743 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1cccc(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714682 720166434 /nfs/dbraw/zinc/16/64/34/720166434.db2.gz RKUGHEWYONWFEC-HNNXBMFYSA-N 1 0 426.899 2.625 20 0 IFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3ccc(F)cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715067 720170996 /nfs/dbraw/zinc/17/09/96/720170996.db2.gz SKEHNKFZOXPZKX-SFHVURJKSA-N 1 0 445.930 2.767 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)Oc1cccnc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719592 720173125 /nfs/dbraw/zinc/17/31/25/720173125.db2.gz WNCPCZXCRGKVDV-OAHLLOKOSA-N 1 0 442.898 2.504 20 0 IFADRO Cn1nnc2c1CCN(c1nccc(Oc3ccccc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720173 720174314 /nfs/dbraw/zinc/17/43/14/720174314.db2.gz ZXBJJTKRGQSUPO-HXUWFJFHSA-N 1 0 435.532 2.614 20 0 IFADRO Cn1nnc2c1CCN(c1csc3ncnc(Cl)c13)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719584 720176370 /nfs/dbraw/zinc/17/63/70/720176370.db2.gz WKSWDGZCGIXSMM-CQSZACIVSA-N 1 0 433.969 2.689 20 0 IFADRO Cc1cccc2c(Cl)nnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164718785 720180674 /nfs/dbraw/zinc/18/06/74/720180674.db2.gz RCOAQEWHTNLELL-SFHVURJKSA-N 1 0 441.967 2.936 20 0 IFADRO Cc1nc2cc(Cl)ccc2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164716567 720182483 /nfs/dbraw/zinc/18/24/83/720182483.db2.gz HUILDWBHOILKPB-HXUWFJFHSA-N 1 0 441.967 2.936 20 0 IFADRO Cn1nnc2c1CCN(c1cc3nc(Cl)cnc3cc1F)[C@H]2COCC[NH+]1CCCC1 ZINC001164715803 720199796 /nfs/dbraw/zinc/19/97/96/720199796.db2.gz NGPUFYMCXMWPSI-IBGZPJMESA-N 1 0 445.930 2.767 20 0 IFADRO CCc1nc(Cl)nc(Cl)c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164720381 720204848 /nfs/dbraw/zinc/20/48/48/720204848.db2.gz ZSKJFWRTFNWRNA-OAHLLOKOSA-N 1 0 440.379 2.691 20 0 IFADRO CCCN(CCC)c1cncc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813401 720230411 /nfs/dbraw/zinc/23/04/11/720230411.db2.gz NWYDTNCBLRFKMS-UHFFFAOYSA-N 1 0 427.597 2.910 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)[nH]c-2n1 ZINC001164814537 720230422 /nfs/dbraw/zinc/23/04/22/720230422.db2.gz XMXHQNHXGQSKAZ-UHFFFAOYSA-N 1 0 438.532 2.547 20 0 IFADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164818742 720288787 /nfs/dbraw/zinc/28/87/87/720288787.db2.gz MOPQHANZEAHACP-ROUUACIJSA-N 1 0 434.968 2.823 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827406 720292940 /nfs/dbraw/zinc/29/29/40/720292940.db2.gz XOXQWNHTZFTDAN-HOTGVXAUSA-N 1 0 427.927 2.895 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(NC(=O)OC(C)(C)C)ncn2)CC1 ZINC001164819154 720301963 /nfs/dbraw/zinc/30/19/63/720301963.db2.gz CJRHRMZXRGKASV-QZTJIDSGSA-N 1 0 444.580 2.735 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC ZINC001164827831 720302728 /nfs/dbraw/zinc/30/27/28/720302728.db2.gz YGXLCDWOWDIUTG-WOJBJXKFSA-N 1 0 439.560 2.559 20 0 IFADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826087 720302787 /nfs/dbraw/zinc/30/27/87/720302787.db2.gz VHFRCKKYEUVUBH-HZPDHXFCSA-N 1 0 427.927 2.895 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2COC3(C)C)CC1 ZINC001164821433 720307770 /nfs/dbraw/zinc/30/77/70/720307770.db2.gz KQIQRDGORYEHMR-DLBZAZTESA-N 1 0 433.984 2.807 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2COC3(C)C)CC1 ZINC001164821439 720307792 /nfs/dbraw/zinc/30/77/92/720307792.db2.gz KQIQRDGORYEHMR-SJORKVTESA-N 1 0 433.984 2.807 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2COC3(C)C)CC1 ZINC001164821437 720307976 /nfs/dbraw/zinc/30/79/76/720307976.db2.gz KQIQRDGORYEHMR-IRXDYDNUSA-N 1 0 433.984 2.807 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccnc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001164828258 720309400 /nfs/dbraw/zinc/30/94/00/720309400.db2.gz ZMRQKTRMRDYETA-QZTJIDSGSA-N 1 0 444.580 2.735 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164822090 720312606 /nfs/dbraw/zinc/31/26/06/720312606.db2.gz MPYDVUCXRBZKSQ-FCHUYYIVSA-N 1 0 436.556 2.933 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1OCC ZINC001164823363 720317143 /nfs/dbraw/zinc/31/71/43/720317143.db2.gz AVUBMRACORPRQA-VQTJNVASSA-N 1 0 444.576 2.569 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C(=O)OC(C)(C)C)cn2)CC1 ZINC001164833771 720318074 /nfs/dbraw/zinc/31/80/74/720318074.db2.gz XPEKRTFVCOONKZ-PMACEKPBSA-N 1 0 428.577 2.948 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cc2N)CC1 ZINC001164830752 720320953 /nfs/dbraw/zinc/32/09/53/720320953.db2.gz PTNNGNPIOIPHFC-DLBZAZTESA-N 1 0 427.927 2.774 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834331 720330548 /nfs/dbraw/zinc/33/05/48/720330548.db2.gz ZEFHHMURVFUNTE-SJORKVTESA-N 1 0 445.999 2.972 20 0 IFADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833764 720334044 /nfs/dbraw/zinc/33/40/44/720334044.db2.gz XOBYUNDOVDECOI-JKSUJKDBSA-N 1 0 443.926 2.595 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)nn1 ZINC001164822283 720341117 /nfs/dbraw/zinc/34/11/17/720341117.db2.gz CZDOKSZAOJOMMI-IAGOWNOFSA-N 1 0 427.927 2.895 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164826727 720351451 /nfs/dbraw/zinc/35/14/51/720351451.db2.gz KXOBKBTVQKZKMX-OALUTQOASA-N 1 0 434.968 2.742 20 0 IFADRO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164734810 720448374 /nfs/dbraw/zinc/44/83/74/720448374.db2.gz UULJQNFOODEWMG-NHCUHLMSSA-N 1 0 429.590 2.654 20 0 IFADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164730170 720448968 /nfs/dbraw/zinc/44/89/68/720448968.db2.gz IDLNSAUPYUKOEI-UXHICEINSA-N 1 0 429.590 2.797 20 0 IFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)C1 ZINC001164729964 720508889 /nfs/dbraw/zinc/50/88/89/720508889.db2.gz LKUDBKNKAHSAEI-AWEZNQCLSA-N 1 0 425.915 2.670 20 0 IFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164728006 720513429 /nfs/dbraw/zinc/51/34/29/720513429.db2.gz HTUUYWMQLVPKHF-CQSZACIVSA-N 1 0 428.924 2.854 20 0 IFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834700 720517366 /nfs/dbraw/zinc/51/73/66/720517366.db2.gz HENWJWFNANNYGS-NNMXDRDESA-N 1 0 434.544 2.991 20 0 IFADRO COC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164832962 720518232 /nfs/dbraw/zinc/51/82/32/720518232.db2.gz CDTNGGPVBAKVLE-XQBPLPMBSA-N 1 0 434.544 2.991 20 0 IFADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839105 720520782 /nfs/dbraw/zinc/52/07/82/720520782.db2.gz SVRSINCYMGJJDJ-YQVWRLOYSA-N 1 0 437.548 2.709 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc21 ZINC001164836112 720525816 /nfs/dbraw/zinc/52/58/16/720525816.db2.gz MTQKTKFQGCIXLM-KGVIQGDOSA-N 1 0 434.544 2.991 20 0 IFADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164835382 720534428 /nfs/dbraw/zinc/53/44/28/720534428.db2.gz GZLUJXPBGIHPOT-OKZBNKHCSA-N 1 0 446.983 2.810 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ncc3N3CCOCC3)CC[C@@H]21 ZINC001164837428 720548289 /nfs/dbraw/zinc/54/82/89/720548289.db2.gz MOXYYVSSCLFYFL-QYZOEREBSA-N 1 0 445.999 2.541 20 0 IFADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727907 720565194 /nfs/dbraw/zinc/56/51/94/720565194.db2.gz GGZHLKUJFPQMEE-UHFFFAOYSA-N 1 0 440.935 2.925 20 0 IFADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736919 720574206 /nfs/dbraw/zinc/57/42/06/720574206.db2.gz VTVJHPLBCQHXQS-UHFFFAOYSA-N 1 0 447.587 2.871 20 0 IFADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838302 720583511 /nfs/dbraw/zinc/58/35/11/720583511.db2.gz KPVJCTZYCHEIOH-QKNQBKEWSA-N 1 0 426.565 2.598 20 0 IFADRO CCOC(=O)c1ncnc(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839351 720589934 /nfs/dbraw/zinc/58/99/34/720589934.db2.gz NJLLHHAKVKCUMM-BRWVUGGUSA-N 1 0 432.956 2.881 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)NC4CCCC4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842893 720622875 /nfs/dbraw/zinc/62/28/75/720622875.db2.gz WFGQGRAHQDULST-KAGYGMCKSA-N 1 0 437.592 2.723 20 0 IFADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739698 720682478 /nfs/dbraw/zinc/68/24/78/720682478.db2.gz OYLGJCGKBFSSRI-GJZGRUSLSA-N 1 0 432.862 2.960 20 0 IFADRO Clc1ncc(OCc2ccccc2)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740068 720703775 /nfs/dbraw/zinc/70/37/75/720703775.db2.gz PLVFEQQNZGBNFD-ROUUACIJSA-N 1 0 438.919 2.841 20 0 IFADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737186 720758798 /nfs/dbraw/zinc/75/87/98/720758798.db2.gz AMFAJLCJNBYGAY-MOPGFXCFSA-N 1 0 425.496 2.824 20 0 IFADRO c1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)nc1 ZINC001164737154 720759556 /nfs/dbraw/zinc/75/95/56/720759556.db2.gz AEWBCZKMNZMIOG-MSOLQXFVSA-N 1 0 425.496 2.824 20 0 IFADRO c1ccc(-c2nsc3c2ncnc3N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164746392 720767608 /nfs/dbraw/zinc/76/76/08/720767608.db2.gz XTPWWZUMKQMIKA-IAGOWNOFSA-N 1 0 431.525 2.885 20 0 IFADRO O=C(NC1CCCC1)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164746787 720768413 /nfs/dbraw/zinc/76/84/13/720768413.db2.gz YMPDBCROAHYFBP-QZTJIDSGSA-N 1 0 442.951 2.539 20 0 IFADRO O=C(NC1CCCC1)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1 ZINC001164746788 720769561 /nfs/dbraw/zinc/76/95/61/720769561.db2.gz YMPDBCROAHYFBP-ROUUACIJSA-N 1 0 442.951 2.539 20 0 IFADRO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2COC[C@H]21)C1CCC1 ZINC001164846103 720800605 /nfs/dbraw/zinc/80/06/05/720800605.db2.gz IDEYASDOEZXXLH-QTJGBDASSA-N 1 0 432.568 2.760 20 0 IFADRO CC(C)(C)OC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164743987 720800702 /nfs/dbraw/zinc/80/07/02/720800702.db2.gz GZVBFBCMBRWOQL-HZPDHXFCSA-N 1 0 431.924 2.822 20 0 IFADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750045 720809994 /nfs/dbraw/zinc/80/99/94/720809994.db2.gz VAXJEZOYZAXWOL-ZIFCJYIRSA-N 1 0 444.967 2.883 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743530 720812270 /nfs/dbraw/zinc/81/22/70/720812270.db2.gz GOKMUZKLVZQEPD-BRWVUGGUSA-N 1 0 437.926 2.954 20 0 IFADRO Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CSCC2 ZINC001164737661 720815758 /nfs/dbraw/zinc/81/57/58/720815758.db2.gz BIBLUZJRYKVXBY-TXPKVOOTSA-N 1 0 446.024 2.890 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1OC ZINC001164745055 720817213 /nfs/dbraw/zinc/81/72/13/720817213.db2.gz VZSMLBLDJRNJTJ-BBTUJRGHSA-N 1 0 449.559 2.618 20 0 IFADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739716 720817450 /nfs/dbraw/zinc/81/74/50/720817450.db2.gz IBBCDMUTUQDUCW-GVDBMIGSSA-N 1 0 437.926 2.954 20 0 IFADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745979 720821972 /nfs/dbraw/zinc/82/19/72/720821972.db2.gz XQRGPQXWLYZJSH-LZLYRXPVSA-N 1 0 426.956 2.593 20 0 IFADRO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2c1CCCC2 ZINC001164745130 720825561 /nfs/dbraw/zinc/82/55/61/720825561.db2.gz WNHFPNIBKKRITE-ABSDTBQOSA-N 1 0 427.984 2.980 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740446 720837419 /nfs/dbraw/zinc/83/74/19/720837419.db2.gz BSMSVHVLLBTXBH-SXWKCWPCSA-N 1 0 446.555 2.992 20 0 IFADRO Fc1ncccc1-c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749731 720838709 /nfs/dbraw/zinc/83/87/09/720838709.db2.gz WQIQMYAOBLTDAE-DBXWQHBBSA-N 1 0 434.523 2.649 20 0 IFADRO Fc1ncccc1-c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749726 720838931 /nfs/dbraw/zinc/83/89/31/720838931.db2.gz WQIQMYAOBLTDAE-BBTUJRGHSA-N 1 0 434.523 2.649 20 0 IFADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747335 720839906 /nfs/dbraw/zinc/83/99/06/720839906.db2.gz QFBRUTROOZGXAK-NJDAHSKKSA-N 1 0 437.592 2.581 20 0 IFADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747340 720840419 /nfs/dbraw/zinc/84/04/19/720840419.db2.gz QFBRUTROOZGXAK-PCCBWWKXSA-N 1 0 437.592 2.581 20 0 IFADRO COC(OC)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748319 720840991 /nfs/dbraw/zinc/84/09/91/720840991.db2.gz UDTLRACMZKMLPP-SVFBPWRDSA-N 1 0 426.565 2.652 20 0 IFADRO CCOCc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742495 720842628 /nfs/dbraw/zinc/84/26/28/720842628.db2.gz HBYFICCGQCXBRU-NZSAHSFTSA-N 1 0 431.972 2.637 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751847 720849569 /nfs/dbraw/zinc/84/95/69/720849569.db2.gz ZICUSRRZVMTEAM-SXWKCWPCSA-N 1 0 446.555 2.992 20 0 IFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164753578 720853397 /nfs/dbraw/zinc/85/33/97/720853397.db2.gz YEBWEDYVRXZJJD-FKBYEOEOSA-N 1 0 436.608 2.828 20 0 IFADRO C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)C1 ZINC001164751872 720853698 /nfs/dbraw/zinc/85/36/98/720853698.db2.gz RGNYYJNOKQKZSL-PSWRPDDJSA-N 1 0 436.608 2.684 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001164854850 720860362 /nfs/dbraw/zinc/86/03/62/720860362.db2.gz LEXCDOYMDFIQQQ-DENIHFKCSA-N 1 0 439.535 2.792 20 0 IFADRO Nc1nc(Cl)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750492 720867359 /nfs/dbraw/zinc/86/73/59/720867359.db2.gz JEHGDFZODANQNT-GCJKJVERSA-N 1 0 428.968 2.862 20 0 IFADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)c(Cl)n1 ZINC001164854512 720871062 /nfs/dbraw/zinc/87/10/62/720871062.db2.gz KIPYRIPLWPTVBW-PBHICJAKSA-N 1 0 447.910 2.630 20 0 IFADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)c2c1C ZINC001164861257 720874044 /nfs/dbraw/zinc/87/40/44/720874044.db2.gz PIDZNGOUHBKDNV-SJORKVTESA-N 1 0 448.589 2.658 20 0 IFADRO Cn1cnc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754381 720875230 /nfs/dbraw/zinc/87/52/30/720875230.db2.gz RPDMRTPMEODFPJ-GBXCKJPGSA-N 1 0 433.560 2.513 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC[C@@H]2C1 ZINC001164864549 720878417 /nfs/dbraw/zinc/87/84/17/720878417.db2.gz WARYEZJOHRVTLJ-XLIONFOSSA-N 1 0 436.984 2.535 20 0 IFADRO COc1cc(OC)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754937 720879383 /nfs/dbraw/zinc/87/93/83/720879383.db2.gz UTPXQMAALMMLFF-YKSBVNFPSA-N 1 0 439.560 2.644 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)CC[C@@H]2C1 ZINC001164864606 720879935 /nfs/dbraw/zinc/87/99/35/720879935.db2.gz WCPUPRMFFCFSSW-FGZHOGPDSA-N 1 0 425.529 2.612 20 0 IFADRO COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(OC)n1 ZINC001164747314 720879970 /nfs/dbraw/zinc/87/99/70/720879970.db2.gz BDBVAROIAUXURA-HYBUGGRVSA-N 1 0 439.560 2.644 20 0 IFADRO COc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164749086 720880910 /nfs/dbraw/zinc/88/09/10/720880910.db2.gz GRWWMZJOJFYJMV-AVRDEDQJSA-N 1 0 444.967 2.684 20 0 IFADRO CN(C)C(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164749790 720884905 /nfs/dbraw/zinc/88/49/05/720884905.db2.gz APTBEEGORDBZLF-ZEQKJWHPSA-N 1 0 449.599 2.934 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Oc4ccc(OC)cc4)nc(C)n3)CC[C@H]2C1 ZINC001164858253 720886007 /nfs/dbraw/zinc/88/60/07/720886007.db2.gz KQAWACUQYXKLFW-RXVVDRJESA-N 1 0 428.533 2.759 20 0 IFADRO COc1ncc(F)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752751 720887107 /nfs/dbraw/zinc/88/71/07/720887107.db2.gz FYEFVONPUCSXHR-XXBNENTESA-N 1 0 427.524 2.774 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC[C@H]2C1 ZINC001164862163 720887652 /nfs/dbraw/zinc/88/76/52/720887652.db2.gz QYLMUABJZKZGTG-GOEBONIOSA-N 1 0 448.898 2.545 20 0 IFADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ncc4c(n2)CCCN4)C3)c1 ZINC001164749614 720889552 /nfs/dbraw/zinc/88/95/52/720889552.db2.gz AJILBQRZWSXOJA-SQJMNOBHSA-N 1 0 434.588 2.985 20 0 IFADRO O=C1COc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2N1 ZINC001164750721 720891726 /nfs/dbraw/zinc/89/17/26/720891726.db2.gz BRNIXWHLIAJPEX-NBGIEHNGSA-N 1 0 449.555 2.563 20 0 IFADRO C[C@H]1CCc2c(sc3ncnc(N4CCc5onc(C(=O)NCC[NH+](C)C)c5C4)c23)C1 ZINC001164749421 720954181 /nfs/dbraw/zinc/95/41/81/720954181.db2.gz DSYNGUBUHIBRKQ-ZDUSSCGKSA-N 1 0 440.573 2.658 20 0 IFADRO COc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc(N2CCCCCC2)n1 ZINC001164856312 720998412 /nfs/dbraw/zinc/99/84/12/720998412.db2.gz BHBWSFCWASSEKA-KRWDZBQOSA-N 1 0 428.585 2.879 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCc4ccccn4)[C@@H]3C2)nc1)C1CC1 ZINC001164762382 721022764 /nfs/dbraw/zinc/02/27/64/721022764.db2.gz VISAMLYELPSWAV-VABKMULXSA-N 1 0 435.572 2.619 20 0 IFADRO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@H]12 ZINC001164758006 721023469 /nfs/dbraw/zinc/02/34/69/721023469.db2.gz HLULYRRMUWVDCD-ZLNRFVROSA-N 1 0 435.572 2.620 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c(-c4cnn(C)c4)nnn3C[C@@H]2COC)nc1 ZINC001164761767 721025198 /nfs/dbraw/zinc/02/51/98/721025198.db2.gz SWTUJPDCXCTXRZ-UXHICEINSA-N 1 0 436.564 2.656 20 0 IFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867383 721085877 /nfs/dbraw/zinc/08/58/77/721085877.db2.gz YGBIRVTZZBGHNS-WOJBJXKFSA-N 1 0 433.512 2.681 20 0 IFADRO COC(=O)c1cc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cnc1Cl ZINC001164773751 721106123 /nfs/dbraw/zinc/10/61/23/721106123.db2.gz YVODZRZKLYVCEU-CABCVRRESA-N 1 0 439.894 2.758 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164771365 721116530 /nfs/dbraw/zinc/11/65/30/721116530.db2.gz SHGPYVQSXCPNOF-XZOQPEGZSA-N 1 0 443.599 2.727 20 0 IFADRO COC(=O)c1cc2c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164865455 721118218 /nfs/dbraw/zinc/11/82/18/721118218.db2.gz LLGXUMVTOZIOPB-HOTGVXAUSA-N 1 0 441.919 2.878 20 0 IFADRO COC(=O)c1cc2c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164865456 721118888 /nfs/dbraw/zinc/11/88/88/721118888.db2.gz LLGXUMVTOZIOPB-HZPDHXFCSA-N 1 0 441.919 2.878 20 0 IFADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164876515 721122474 /nfs/dbraw/zinc/12/24/74/721122474.db2.gz MXUUJBRFLXMNEL-ZYNVHPMPSA-N 1 0 433.512 2.624 20 0 IFADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164876513 721123203 /nfs/dbraw/zinc/12/32/03/721123203.db2.gz MXUUJBRFLXMNEL-QLAYCGNHSA-N 1 0 433.512 2.624 20 0 IFADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[N@@H+]3C2)c1 ZINC001164880431 721147122 /nfs/dbraw/zinc/14/71/22/721147122.db2.gz WOJKBFWDWFRONL-NHCUHLMSSA-N 1 0 445.523 2.790 20 0 IFADRO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164764781 721148527 /nfs/dbraw/zinc/14/85/27/721148527.db2.gz HXBWSMMNOVJZJU-MJGOQNOKSA-N 1 0 430.984 2.909 20 0 IFADRO c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164876554 721167435 /nfs/dbraw/zinc/16/74/35/721167435.db2.gz NDQKRFUAQOJZAL-RTWAWAEBSA-N 1 0 428.540 2.902 20 0 IFADRO c1nc2c(ncnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1-c1ccccc1 ZINC001164880674 721173661 /nfs/dbraw/zinc/17/36/61/721173661.db2.gz WVOSUIJZFZPYSH-LEWJYISDSA-N 1 0 427.512 2.690 20 0 IFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164772353 721195879 /nfs/dbraw/zinc/19/58/79/721195879.db2.gz SRDJXAITMSSVKJ-LSDHHAIUSA-N 1 0 439.894 2.758 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@@](F)(COc4cncc(Cl)n4)C(F)F)C[C@H]3C2)cn1 ZINC001164770124 721214353 /nfs/dbraw/zinc/21/43/53/721214353.db2.gz NKNROIFLKRRMMJ-CLCXKQKWSA-N 1 0 444.889 2.627 20 0 IFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001164767001 721267594 /nfs/dbraw/zinc/26/75/94/721267594.db2.gz PWJWSCAMELHBLO-MSOLQXFVSA-N 1 0 448.905 2.541 20 0 IFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@H]2OCCN(c3cnccn3)[C@@H]2C1 ZINC001164767004 721267673 /nfs/dbraw/zinc/26/76/73/721267673.db2.gz PWJWSCAMELHBLO-QZTJIDSGSA-N 1 0 448.905 2.541 20 0 IFADRO Cc1cccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164868597 721270076 /nfs/dbraw/zinc/27/00/76/721270076.db2.gz DRAMQSLAZMEJND-UHFFFAOYSA-N 1 0 431.968 2.599 20 0 IFADRO Cc1ccc(C)c(-c2ccc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nn2)c1 ZINC001164878715 721286606 /nfs/dbraw/zinc/28/66/06/721286606.db2.gz UIQBOTMCCASGJH-UHFFFAOYSA-N 1 0 437.588 2.767 20 0 IFADRO Cc1ccc(N2CCO[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]32)nn1 ZINC001164777199 721309918 /nfs/dbraw/zinc/30/99/18/721309918.db2.gz RRMBPCUTAGOSCS-RPWUZVMVSA-N 1 0 442.567 2.832 20 0 IFADRO c1ccc(N(c2cccc(OCC[NH+]3CCCC3)n2)c2ccnc([C@@H]3COCCN3)n2)nc1 ZINC001164876307 721329563 /nfs/dbraw/zinc/32/95/63/721329563.db2.gz NWNRAFSUOKYYKQ-IBGZPJMESA-N 1 0 447.543 2.872 20 0 IFADRO c1ccc(N(c2cccc(OCC[NH+]3CCCC3)n2)c2ccnc([C@H]3COCCN3)n2)nc1 ZINC001164876308 721330012 /nfs/dbraw/zinc/33/00/12/721330012.db2.gz NWNRAFSUOKYYKQ-LJQANCHMSA-N 1 0 447.543 2.872 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@]3(COCC(=O)N3CCCC3)C2)nc1 ZINC001164881790 721338906 /nfs/dbraw/zinc/33/89/06/721338906.db2.gz AWEOUQRWKCEOSI-TZBSWOFLSA-N 1 0 442.604 2.720 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cnc(F)cc43)C2)C1 ZINC001164776115 721343062 /nfs/dbraw/zinc/34/30/62/721343062.db2.gz AAPJBRJFDNFURK-QFIPXVFZSA-N 1 0 426.496 2.888 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cnc(F)cc43)C2)C1 ZINC001164776101 721343176 /nfs/dbraw/zinc/34/31/76/721343176.db2.gz AAPJBRJFDNFURK-JOCHJYFZSA-N 1 0 426.496 2.888 20 0 IFADRO COC(=O)c1cc(C)cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164781671 721356212 /nfs/dbraw/zinc/35/62/12/721356212.db2.gz KRWVSSWFLHDXBQ-QHCPKHFHSA-N 1 0 428.533 2.900 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884468 721384094 /nfs/dbraw/zinc/38/40/94/721384094.db2.gz BCYXVICHQWHXCY-VQIMIIECSA-N 1 0 429.943 2.749 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Oc4cccnc4Cl)C3)O2)CC1 ZINC001164890440 721395564 /nfs/dbraw/zinc/39/55/64/721395564.db2.gz NIZFNNFZENVBLV-LPHOPBHVSA-N 1 0 430.927 2.925 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164891870 721399473 /nfs/dbraw/zinc/39/94/73/721399473.db2.gz RBXMGWODECLBOE-APWZRJJASA-N 1 0 430.927 2.925 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(Cl)n1 ZINC001164884069 721401141 /nfs/dbraw/zinc/40/11/41/721401141.db2.gz DAGBCIQEDHDGIV-VQIMIIECSA-N 1 0 429.943 2.749 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164886589 721403903 /nfs/dbraw/zinc/40/39/03/721403903.db2.gz KGOTZLAHGLSLGF-OFVILXPXSA-N 1 0 438.572 2.787 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164890371 721414356 /nfs/dbraw/zinc/41/43/56/721414356.db2.gz SGTSUUYSWOUXCN-XMSQKQJNSA-N 1 0 436.984 2.677 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)c1 ZINC001164890367 721414569 /nfs/dbraw/zinc/41/45/69/721414569.db2.gz SGTSUUYSWOUXCN-GCJKJVERSA-N 1 0 436.984 2.677 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883497 721423008 /nfs/dbraw/zinc/42/30/08/721423008.db2.gz ADSPDSQIGUXLGQ-NBGIEHNGSA-N 1 0 438.572 2.787 20 0 IFADRO CCCN(CCC)c1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164884500 721424287 /nfs/dbraw/zinc/42/42/87/721424287.db2.gz DLGWNXGWFGRRMG-XUZZJYLKSA-N 1 0 430.641 2.868 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)[nH]c-2n1 ZINC001164885270 721424627 /nfs/dbraw/zinc/42/46/27/721424627.db2.gz GLIBBGYJDOHNEI-YADARESESA-N 1 0 441.576 2.505 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ccc21 ZINC001164891493 721442786 /nfs/dbraw/zinc/44/27/86/721442786.db2.gz GRJLDCWFWYSORQ-KBMIEXCESA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(-c5ccncc5)n4)C3)O2)CC1 ZINC001164884933 721448822 /nfs/dbraw/zinc/44/88/22/721448822.db2.gz CUWQQLXBEIVKNR-WMZHIEFXSA-N 1 0 442.995 2.957 20 0 IFADRO CCOC(=O)c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164788747 721450271 /nfs/dbraw/zinc/45/02/71/721450271.db2.gz UCGBZQHCVHBOLJ-NRFANRHFSA-N 1 0 431.577 2.992 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)ncc1OC)CC2 ZINC001164787825 721452254 /nfs/dbraw/zinc/45/22/54/721452254.db2.gz QWAMFEQHAWMHOX-GOSISDBHSA-N 1 0 436.622 2.941 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)c(C(=O)OC)cn1)CC2 ZINC001164787644 721452704 /nfs/dbraw/zinc/45/27/04/721452704.db2.gz OZEARHHTFKMUNQ-IBGZPJMESA-N 1 0 447.576 2.611 20 0 IFADRO COc1cc(C)c2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164892050 721454058 /nfs/dbraw/zinc/45/40/58/721454058.db2.gz WBRZVUBIPZOUAE-NTKDMRAZSA-N 1 0 425.577 2.712 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1COC3)CC2 ZINC001164785281 721455201 /nfs/dbraw/zinc/45/52/01/721455201.db2.gz IDGFBRHGWXHDCZ-KRWDZBQOSA-N 1 0 436.984 2.894 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)OC)c(F)cn1)CC2 ZINC001164790431 721455755 /nfs/dbraw/zinc/45/57/55/721455755.db2.gz YZWRWEYNXXDPGM-SFHVURJKSA-N 1 0 435.540 2.741 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1ncn3C)CC2 ZINC001164790371 721457403 /nfs/dbraw/zinc/45/74/03/721457403.db2.gz YOTAQDLMMULZAT-QGZVFWFLSA-N 1 0 448.999 2.751 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cc1F)CC2 ZINC001164783616 721457724 /nfs/dbraw/zinc/45/77/24/721457724.db2.gz DVTAHBSZCRIJBE-IBGZPJMESA-N 1 0 435.540 2.741 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)N(C)C)cn1)CC2 ZINC001164784500 721457985 /nfs/dbraw/zinc/45/79/85/721457985.db2.gz IMQPZJCHOQNFCQ-OAQYLSRUSA-N 1 0 430.593 2.517 20 0 IFADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1C ZINC001164789914 721458492 /nfs/dbraw/zinc/45/84/92/721458492.db2.gz YMLPYFZQJKBNPN-FQEVSTJZSA-N 1 0 446.592 2.696 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3ccc(=O)n(C)c3n1)CC2 ZINC001164783607 721460295 /nfs/dbraw/zinc/46/02/95/721460295.db2.gz DSTJKKLJDUIMRN-NRFANRHFSA-N 1 0 440.588 2.667 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)CC2 ZINC001164789290 721460999 /nfs/dbraw/zinc/46/09/99/721460999.db2.gz WLZPLVQUJCWQFA-QGZVFWFLSA-N 1 0 448.995 2.964 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)OC)c(C)cn1)CC2 ZINC001164783554 721461806 /nfs/dbraw/zinc/46/18/06/721461806.db2.gz DLINCGJGWQWZGE-FQEVSTJZSA-N 1 0 431.577 2.911 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+][n-]c(Cl)c3ncnc1-3)CC2 ZINC001164783713 721462358 /nfs/dbraw/zinc/46/23/58/721462358.db2.gz FYYHVCNXKSZSSV-INIZCTEOSA-N 1 0 434.972 2.740 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-n3cnc(C)c3)nn1)CC2 ZINC001164787549 721463404 /nfs/dbraw/zinc/46/34/04/721463404.db2.gz RGTIWQNUZGMLBU-OAQYLSRUSA-N 1 0 440.592 2.705 20 0 IFADRO CCn1cnc2c1ncnc2N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164786671 721467423 /nfs/dbraw/zinc/46/74/23/721467423.db2.gz BXEOSWLAUOQCAN-IBGZPJMESA-N 1 0 428.581 2.580 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(ccn3C)c(OC)n1)CC2 ZINC001164789426 721471423 /nfs/dbraw/zinc/47/14/23/721471423.db2.gz MRCVRYXSWKGPRW-IBGZPJMESA-N 1 0 443.592 2.711 20 0 IFADRO c1cncc(NCc2nnn3c2CN(c2cccc(OCC[NH+]4CCCC4)n2)CCC3)c1 ZINC001164790069 721474991 /nfs/dbraw/zinc/47/49/91/721474991.db2.gz QPWZCUIDRCWSNJ-UHFFFAOYSA-N 1 0 434.548 2.565 20 0 IFADRO O=C(C[C@@H]1COC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21)N1CCC(F)CC1 ZINC001164895688 721479677 /nfs/dbraw/zinc/47/96/77/721479677.db2.gz MQFGDBYZQGDGJQ-SJBKTWHCSA-N 1 0 430.568 2.727 20 0 IFADRO O=C(C[C@@H]1COC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21)N1CCC(F)CC1 ZINC001164895683 721479898 /nfs/dbraw/zinc/47/98/98/721479898.db2.gz MQFGDBYZQGDGJQ-KCZVDYSFSA-N 1 0 430.568 2.727 20 0 IFADRO Clc1ccc(CN2CCCC2)c(N(C[C@@H]2OC[C@H]3CC[NH2+]C[C@@H]23)c2ncccn2)n1 ZINC001164793847 721484078 /nfs/dbraw/zinc/48/40/78/721484078.db2.gz YQUVWJWXCVJRRD-QRVBRYPASA-N 1 0 428.968 2.883 20 0 IFADRO CN1c2cnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2N2CCC[C@H]2C1=O ZINC001164791498 721496020 /nfs/dbraw/zinc/49/60/20/721496020.db2.gz CUKMFTIGZVCWGE-FQEVSTJZSA-N 1 0 447.587 2.698 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)cc2Cl)CC3)CC1 ZINC001164797059 721509566 /nfs/dbraw/zinc/50/95/66/721509566.db2.gz YJLYSVWGLSDUPP-UHFFFAOYSA-N 1 0 431.318 2.897 20 0 IFADRO COc1ccc2c(cc(Cl)nc2N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1 ZINC001164798241 721516752 /nfs/dbraw/zinc/51/67/52/721516752.db2.gz QFXZCVWMNSVCMY-UHFFFAOYSA-N 1 0 426.952 2.861 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(F)ccc2-c2ccc(Cl)nn2)CC3)CC1 ZINC001164796466 721520074 /nfs/dbraw/zinc/52/00/74/721520074.db2.gz YWTNIZQKCRMXHK-UHFFFAOYSA-N 1 0 441.942 2.900 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC3)CC1 ZINC001164796127 721522142 /nfs/dbraw/zinc/52/21/42/721522142.db2.gz VWVRQCGTSDBECI-UHFFFAOYSA-N 1 0 447.317 2.777 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(Cl)nc4c2CCC4)CC3)CC1 ZINC001164795612 721522801 /nfs/dbraw/zinc/52/28/01/721522801.db2.gz PERNWEGKJYWLNP-UHFFFAOYSA-N 1 0 436.938 2.733 20 0 IFADRO CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809045 721542571 /nfs/dbraw/zinc/54/25/71/721542571.db2.gz UMCWCLYCYVTCIK-KCZVDYSFSA-N 1 0 442.995 2.860 20 0 IFADRO O=C(NC1CCCC1)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164909947 721559045 /nfs/dbraw/zinc/55/90/45/721559045.db2.gz VULWGUUPSIBYLR-ICSRJNTNSA-N 1 0 425.508 2.630 20 0 IFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904258 721567330 /nfs/dbraw/zinc/56/73/30/721567330.db2.gz DQRMCBOJWVFWJZ-KMFMINBZSA-N 1 0 434.899 2.888 20 0 IFADRO COc1cc(OC)c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1 ZINC001164805818 721590880 /nfs/dbraw/zinc/59/08/80/721590880.db2.gz LYNOCHLYOSHMFH-QTEQDKRBSA-N 1 0 435.528 2.910 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)nc1 ZINC001164798620 721596678 /nfs/dbraw/zinc/59/66/78/721596678.db2.gz KOTYMIFMUWICCM-YUMYIRISSA-N 1 0 428.577 2.614 20 0 IFADRO Cc1cccc(CN2CCO[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]3C2=O)n1 ZINC001164799941 721602989 /nfs/dbraw/zinc/60/29/89/721602989.db2.gz LBCUDHCWEKBUNU-GOTSBHOMSA-N 1 0 435.572 2.635 20 0 IFADRO Cc1cccc(CN2CCO[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3C2=O)n1 ZINC001164804147 721603196 /nfs/dbraw/zinc/60/31/96/721603196.db2.gz XNMMUJIBQPTLJT-DHIUTWEWSA-N 1 0 435.572 2.635 20 0 IFADRO FC1(F)CCN(c2ccc(Cn3cncn3)cn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909692 721724253 /nfs/dbraw/zinc/72/42/53/721724253.db2.gz CZCHEUVJCYVAME-OAQYLSRUSA-N 1 0 425.487 2.854 20 0 IFADRO O=c1ccccn1-c1nccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911851 721726716 /nfs/dbraw/zinc/72/67/16/721726716.db2.gz LHJMTSSDSUUYJI-JOCHJYFZSA-N 1 0 438.482 2.760 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(C(=O)N3CCCCC3)cc(Cl)n2)CC1 ZINC001165008352 721732883 /nfs/dbraw/zinc/73/28/83/721732883.db2.gz MDEXLTQKUMQWKA-UHFFFAOYSA-N 1 0 448.011 2.884 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)CC1 ZINC001165010115 721738943 /nfs/dbraw/zinc/73/89/43/721738943.db2.gz AVMYNIAGEPKXPD-UHFFFAOYSA-N 1 0 436.000 2.786 20 0 IFADRO c1cnn(CCCO[C@@H]2CC[C@H]3[C@@H]2OCCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001165022422 721781201 /nfs/dbraw/zinc/78/12/01/721781201.db2.gz RGQMYBMEUNTQPU-IMSXRSKXSA-N 1 0 441.576 2.596 20 0 IFADRO c1cnn(CCCO[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001165022426 721781367 /nfs/dbraw/zinc/78/13/67/721781367.db2.gz RGQMYBMEUNTQPU-LGVFNWMJSA-N 1 0 441.576 2.596 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)N4CCOCC4)cn3)C[C@@H]21 ZINC001165019609 721802193 /nfs/dbraw/zinc/80/21/93/721802193.db2.gz DIXNTXJKCBZONP-AKIFATBCSA-N 1 0 435.572 2.686 20 0 IFADRO COC(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1C(=O)OC ZINC001165021498 721803099 /nfs/dbraw/zinc/80/30/99/721803099.db2.gz HGYLZHDYQBKWPX-VDGAXYAQSA-N 1 0 438.528 2.787 20 0 IFADRO COC(=O)Cc1c(Cl)ncnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024554 721807976 /nfs/dbraw/zinc/80/79/76/721807976.db2.gz MCKVOOOHNINGNY-SNRMKQJTSA-N 1 0 429.952 2.977 20 0 IFADRO COC(=O)Cc1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024556 721808196 /nfs/dbraw/zinc/80/81/96/721808196.db2.gz MCKVOOOHNINGNY-ZYSHUDEJSA-N 1 0 429.952 2.977 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(CN4C(=O)CCC4=O)cn3)C[C@@H]21 ZINC001165018788 721818168 /nfs/dbraw/zinc/81/81/68/721818168.db2.gz AEVDNMDCMGWWJY-BAGYTPMASA-N 1 0 433.556 2.863 20 0 IFADRO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N5CCCC5)cc[nH+]4)CCO3)C2)cs1 ZINC001164920101 721829977 /nfs/dbraw/zinc/82/99/77/721829977.db2.gz AICLMHVUCANMLB-JOCHJYFZSA-N 1 0 429.590 2.555 20 0 IFADRO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N5CCCC5)cc[nH+]4)CCO3)C2)cs1 ZINC001164920102 721830068 /nfs/dbraw/zinc/83/00/68/721830068.db2.gz AICLMHVUCANMLB-QFIPXVFZSA-N 1 0 429.590 2.555 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3S(=O)(=O)CC4)C[C@H]21 ZINC001165030162 721830955 /nfs/dbraw/zinc/83/09/55/721830955.db2.gz YBZBCCOGKQPNRX-YXJHDRRASA-N 1 0 447.992 2.592 20 0 IFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c1ncn2Cc1ccccc1 ZINC001164925779 721856073 /nfs/dbraw/zinc/85/60/73/721856073.db2.gz FZWIMGVPAQSWCC-QZTJIDSGSA-N 1 0 425.968 2.743 20 0 IFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c1ncn2Cc1ccccc1 ZINC001164925781 721856226 /nfs/dbraw/zinc/85/62/26/721856226.db2.gz FZWIMGVPAQSWCC-ROUUACIJSA-N 1 0 425.968 2.743 20 0 IFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncccc1C(=O)NCCSCc1ccco1 ZINC001164923177 721870288 /nfs/dbraw/zinc/87/02/88/721870288.db2.gz JAQTZGMQMJPDSP-RTWAWAEBSA-N 1 0 443.617 2.552 20 0 IFADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164926630 721873422 /nfs/dbraw/zinc/87/34/22/721873422.db2.gz SCYKMVJKYNPESZ-MOPGFXCFSA-N 1 0 433.597 2.572 20 0 IFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4NC(=O)CS5)CC3)C2)cc1 ZINC001164946075 721933787 /nfs/dbraw/zinc/93/37/87/721933787.db2.gz YFGOESQWVYAMFD-UHFFFAOYSA-N 1 0 425.558 2.701 20 0 IFADRO NC(=O)N1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CC1 ZINC001165043758 721941271 /nfs/dbraw/zinc/94/12/71/721941271.db2.gz FRQXKJZGKWUUFY-UHFFFAOYSA-N 1 0 441.963 2.957 20 0 IFADRO CS(=O)(=O)N1C[C@H]2CCCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)[C@H]2C1 ZINC001164953899 721986541 /nfs/dbraw/zinc/98/65/41/721986541.db2.gz SLRGNMXXAFJKLN-PBHICJAKSA-N 1 0 446.951 2.517 20 0 IFADRO CC1(C)NC(=O)N(Cc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2)C1=O ZINC001164955850 722022335 /nfs/dbraw/zinc/02/23/35/722022335.db2.gz PHFIZQHJSMGWSU-UHFFFAOYSA-N 1 0 448.571 2.800 20 0 IFADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CC[C@H](C3)C4C(=O)NCCc3cccs3)n2)CC1 ZINC001164962593 722038687 /nfs/dbraw/zinc/03/86/87/722038687.db2.gz NZQHODYPGOMXMA-LIMIJEPZSA-N 1 0 439.629 2.716 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)nc1 ZINC001164960898 722045688 /nfs/dbraw/zinc/04/56/88/722045688.db2.gz YBCOSPCFWRDMPJ-VXKWHMMOSA-N 1 0 442.604 2.863 20 0 IFADRO COCCn1ccc2c1ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963825 722056726 /nfs/dbraw/zinc/05/67/26/722056726.db2.gz MQTGEFMNWFQKFK-UHFFFAOYSA-N 1 0 436.560 2.592 20 0 IFADRO CC(C)c1nc(N(C)C)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963876 722057347 /nfs/dbraw/zinc/05/73/47/722057347.db2.gz PISOIBWDVLCCRJ-UHFFFAOYSA-N 1 0 425.581 2.575 20 0 IFADRO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962551 722058804 /nfs/dbraw/zinc/05/88/04/722058804.db2.gz UDYCSNJVIKAEBX-UHFFFAOYSA-N 1 0 445.951 2.821 20 0 IFADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985793 722103038 /nfs/dbraw/zinc/10/30/38/722103038.db2.gz WUEWLRBZNGPYNL-DENIHFKCSA-N 1 0 447.539 2.929 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1OCC ZINC001164981476 722115909 /nfs/dbraw/zinc/11/59/09/722115909.db2.gz UCKBSKIFPCDAFJ-UGKGYDQZSA-N 1 0 440.544 2.779 20 0 IFADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975744 722117880 /nfs/dbraw/zinc/11/78/80/722117880.db2.gz KSZFMXJTTOIBJV-CTNGQTDRSA-N 1 0 437.544 2.653 20 0 IFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978172 722125723 /nfs/dbraw/zinc/12/57/23/722125723.db2.gz NRMVHQVUCZDTFH-UYAOXDASSA-N 1 0 425.533 2.554 20 0 IFADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977582 722127478 /nfs/dbraw/zinc/12/74/78/722127478.db2.gz NPLWRPZRVMBSNL-VXKWHMMOSA-N 1 0 445.571 2.727 20 0 IFADRO CSc1nc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164984176 722131190 /nfs/dbraw/zinc/13/11/90/722131190.db2.gz WAJGAVXLTCUJIZ-HOTGVXAUSA-N 1 0 428.587 2.931 20 0 IFADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978012 722136463 /nfs/dbraw/zinc/13/64/63/722136463.db2.gz JDEZYCHYBRFUTQ-NVXWUHKLSA-N 1 0 439.894 2.806 20 0 IFADRO c1nc2c(ncnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1-c1ccccc1 ZINC001164979688 722151047 /nfs/dbraw/zinc/15/10/47/722151047.db2.gz LTCJWWPSUVDZQV-IFMALSPDSA-N 1 0 441.539 2.938 20 0 IFADRO COc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164971733 722156844 /nfs/dbraw/zinc/15/68/44/722156844.db2.gz FBAANJUNFDCDIL-CVEARBPZSA-N 1 0 439.894 2.806 20 0 IFADRO FC(F)(Oc1cnc(Cl)cn1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972131 722157026 /nfs/dbraw/zinc/15/70/26/722157026.db2.gz FUXZVVDIQIZPQL-CVEARBPZSA-N 1 0 425.867 2.677 20 0 IFADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cccc(N5CCOCC5)[nH+]4)CC[C@@H]32)cs1 ZINC001164987554 722184363 /nfs/dbraw/zinc/18/43/63/722184363.db2.gz IJWFXXRHIJXEQJ-VQTJNVASSA-N 1 0 429.590 2.553 20 0 IFADRO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]12 ZINC001164990324 722187385 /nfs/dbraw/zinc/18/73/85/722187385.db2.gz LPBXSYUZQABFLT-ISKFKSNPSA-N 1 0 440.613 2.859 20 0 IFADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164993069 722187640 /nfs/dbraw/zinc/18/76/40/722187640.db2.gz YBYGWEDJKXDVKP-HXUWFJFHSA-N 1 0 430.593 2.658 20 0 IFADRO O=S(=O)(NC1CC1)c1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164994904 722208516 /nfs/dbraw/zinc/20/85/16/722208516.db2.gz JMYGFGZQLLMCEJ-QFIPXVFZSA-N 1 0 430.549 2.906 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)nc1 ZINC001165005898 722244569 /nfs/dbraw/zinc/24/45/69/722244569.db2.gz VROHALPASJQOOU-QZNHQXDQSA-N 1 0 437.588 2.944 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)nc1 ZINC001165005897 722244682 /nfs/dbraw/zinc/24/46/82/722244682.db2.gz VROHALPASJQOOU-MQSCRBSSSA-N 1 0 437.588 2.944 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC001165002120 722247179 /nfs/dbraw/zinc/24/71/79/722247179.db2.gz WPBIAOBKCIOKLR-XUZZJYLKSA-N 1 0 438.576 2.531 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncccc1C(=O)NC1CCCCC1)CCC2 ZINC001164999947 722251140 /nfs/dbraw/zinc/25/11/40/722251140.db2.gz JSDGAOMRBXIABX-UHFFFAOYSA-N 1 0 440.592 2.829 20 0 IFADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002269 722254128 /nfs/dbraw/zinc/25/41/28/722254128.db2.gz MQVJYCVLDMAODF-UHFFFAOYSA-N 1 0 435.956 2.905 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002245 722255185 /nfs/dbraw/zinc/25/51/85/722255185.db2.gz MBHPJTBHXKXWBE-UHFFFAOYSA-N 1 0 432.960 2.746 20 0 IFADRO COc1cc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ccc2c(OC)c1 ZINC001165004813 722257655 /nfs/dbraw/zinc/25/76/55/722257655.db2.gz VFMNHCSQTVYYEU-UHFFFAOYSA-N 1 0 425.533 2.937 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)cc(-c3ccncc3)n1)CCC2 ZINC001165003445 722257991 /nfs/dbraw/zinc/25/79/91/722257991.db2.gz DHDKSYLIQDKLEF-UHFFFAOYSA-N 1 0 427.940 2.877 20 0 IFADRO OC[C@]12C[NH2+]C[C@H]1CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164402486 718853156 /nfs/dbraw/zinc/85/31/56/718853156.db2.gz FOKYQDOADKMHJU-QMHKHESXSA-N 1 0 427.618 2.574 20 0 IFADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001164413762 718881004 /nfs/dbraw/zinc/88/10/04/718881004.db2.gz MGXBXBVUJDKUEQ-NSHDSACASA-N 1 0 448.845 2.581 20 0 IFADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164423500 718914586 /nfs/dbraw/zinc/91/45/86/718914586.db2.gz HRCADNHUSWWEQG-KRWDZBQOSA-N 1 0 449.285 2.947 20 0 IFADRO O=S1(=O)CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)CC1 ZINC001164429359 718958633 /nfs/dbraw/zinc/95/86/33/718958633.db2.gz OHEHONMMXRQSPV-UHFFFAOYSA-N 1 0 447.988 2.991 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(C)nc(Cl)n1)C2 ZINC001164433085 718969266 /nfs/dbraw/zinc/96/92/66/718969266.db2.gz JNTAKEZRRVJJNM-KGLIPLIRSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(OC)c(Cl)n1)C2 ZINC001164431876 718969670 /nfs/dbraw/zinc/96/96/70/718969670.db2.gz CDUMVOXLINTTSR-LSDHHAIUSA-N 1 0 443.800 2.810 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1nc(Cl)ccc1CN1CCCC1)C2 ZINC001164435010 718970199 /nfs/dbraw/zinc/97/01/99/718970199.db2.gz XKYWLKAZYOGHFX-MOPGFXCFSA-N 1 0 446.901 2.852 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164619885 719010531 /nfs/dbraw/zinc/01/05/31/719010531.db2.gz XHZIXQLKGSBCJA-LIRRHRJNSA-N 1 0 444.910 2.747 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nnc1OC)C2 ZINC001164617132 719011230 /nfs/dbraw/zinc/01/12/30/719011230.db2.gz MMOQXWMICZADDQ-KUHUBIRLSA-N 1 0 444.910 2.833 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164618902 719011732 /nfs/dbraw/zinc/01/17/32/719011732.db2.gz URAIEHBUNXLHLN-UGSOOPFHSA-N 1 0 430.883 2.704 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164619716 719011998 /nfs/dbraw/zinc/01/19/98/719011998.db2.gz WYCKGBQFMKCEFB-BEFAXECRSA-N 1 0 429.895 2.668 20 0 IFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN(CC)CC)nc2sc(C)c(C)c21 ZINC001164619347 719017400 /nfs/dbraw/zinc/01/74/00/719017400.db2.gz VVUXUGORJYHBBC-IKGGRYGDSA-N 1 0 431.606 2.880 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)CC2)CC1 ZINC001164614627 719023345 /nfs/dbraw/zinc/02/33/45/719023345.db2.gz VRERTUWSCUBJBW-UHFFFAOYSA-N 1 0 445.942 2.985 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)N(C)OC)cc(Cl)n3)CC2)CC1 ZINC001164618421 719027341 /nfs/dbraw/zinc/02/73/41/719027341.db2.gz WNVIYDCMXKEOQJ-UHFFFAOYSA-N 1 0 438.956 2.612 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4[nH]c(C(=O)OC)cc43)CC2)CC1 ZINC001164617557 719028580 /nfs/dbraw/zinc/02/85/80/719028580.db2.gz OKYZMVCAEHIUGT-UHFFFAOYSA-N 1 0 449.939 2.642 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c(Cl)ncnc43)CC2)CC1 ZINC001164617113 719033920 /nfs/dbraw/zinc/03/39/20/719033920.db2.gz GTVFDLHWEXLDSP-UHFFFAOYSA-N 1 0 439.347 2.971 20 0 IFADRO CCOC(=O)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1C(=O)OCC ZINC001164621785 719067895 /nfs/dbraw/zinc/06/78/95/719067895.db2.gz HPKRHWDAKMJYFT-ICSRJNTNSA-N 1 0 438.528 2.931 20 0 IFADRO COC(=O)C1CCN(c2nccnc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001164628629 719086398 /nfs/dbraw/zinc/08/63/98/719086398.db2.gz NVCQBQJDQBLYPA-FCHUYYIVSA-N 1 0 435.572 2.967 20 0 IFADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@@H]2CF)CC1 ZINC001164621758 719122596 /nfs/dbraw/zinc/12/25/96/719122596.db2.gz NHTRGIRBODXFEQ-GOEBONIOSA-N 1 0 431.581 2.525 20 0 IFADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164634309 719136081 /nfs/dbraw/zinc/13/60/81/719136081.db2.gz UKYBCMNXUQEZHJ-WBVHZDCISA-N 1 0 443.617 2.753 20 0 IFADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@H](C)[N@H+](C)C[C@H]3C)c2c1C ZINC001164637231 719238089 /nfs/dbraw/zinc/23/80/89/719238089.db2.gz UVXMYZZHIDSCFM-LSDHHAIUSA-N 1 0 447.605 2.537 20 0 IFADRO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN(c3ncccc3C[NH+]3CCCC3)C2)C1 ZINC001164653537 719322144 /nfs/dbraw/zinc/32/21/44/719322144.db2.gz NQQFZKUQMLCTIO-XMMPIXPASA-N 1 0 437.519 2.858 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1)C1CC1 ZINC001164654114 719322269 /nfs/dbraw/zinc/32/22/69/719322269.db2.gz OPUXSLSMZQEOOJ-XMMPIXPASA-N 1 0 437.519 2.857 20 0 IFADRO CCOC(=O)c1c(Cl)nc(SC)nc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681635 719621457 /nfs/dbraw/zinc/62/14/57/719621457.db2.gz JVXHXMFQGGRVSV-UHFFFAOYSA-N 1 0 438.985 2.700 20 0 IFADRO CC(C)N(C)Cc1nn(-c2[nH]cc(NC(=O)OC(C)(C)C)c3ncnc2-3)c2c1CC[NH2+]C2 ZINC001164679503 719637265 /nfs/dbraw/zinc/63/72/65/719637265.db2.gz DBMKKCCUAZADRK-UHFFFAOYSA-N 1 0 440.552 2.977 20 0 IFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)nc(N)n3)CC2)c2ccccc21 ZINC001164680660 719653579 /nfs/dbraw/zinc/65/35/79/719653579.db2.gz HDLKBQOMOPVJEM-INIZCTEOSA-N 1 0 442.995 2.806 20 0 IFADRO CCOc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680317 719658823 /nfs/dbraw/zinc/65/88/23/719658823.db2.gz FGTQBLKSGZQXNL-IBGZPJMESA-N 1 0 437.588 2.969 20 0 IFADRO CCOc1nccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680769 719670490 /nfs/dbraw/zinc/67/04/90/719670490.db2.gz HLTSYVUWQQJDAS-IBGZPJMESA-N 1 0 437.588 2.969 20 0 IFADRO CNC(=O)c1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681518 719674078 /nfs/dbraw/zinc/67/40/78/719674078.db2.gz MJLBMEUEXOOCOD-HXUWFJFHSA-N 1 0 449.599 2.535 20 0 IFADRO Cc1ccc(C(N)=O)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685601 719676755 /nfs/dbraw/zinc/67/67/55/719676755.db2.gz VNTUXVXNXFUEBD-IBGZPJMESA-N 1 0 449.599 2.582 20 0 IFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164682551 719714815 /nfs/dbraw/zinc/71/48/15/719714815.db2.gz FPFKTFLURLQOBD-UHFFFAOYSA-N 1 0 445.951 2.641 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)CC2 ZINC001164687216 719730863 /nfs/dbraw/zinc/73/08/63/719730863.db2.gz VBAVATDIQORMQA-UHFFFAOYSA-N 1 0 439.894 2.889 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164686779 719735905 /nfs/dbraw/zinc/73/59/05/719735905.db2.gz SEWCEXVUJFFUGW-UHFFFAOYSA-N 1 0 431.540 2.906 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)CC2 ZINC001164690265 719755076 /nfs/dbraw/zinc/75/50/76/719755076.db2.gz XLLIMHFMFPBSDX-UHFFFAOYSA-N 1 0 445.898 2.553 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)CC2 ZINC001164693136 719758161 /nfs/dbraw/zinc/75/81/61/719758161.db2.gz XHHXJGBKFZWIDL-UHFFFAOYSA-N 1 0 441.407 2.955 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3ccnn3C[C@@H](C(=O)NCCOC)C2)nc1 ZINC001164698168 719829517 /nfs/dbraw/zinc/82/95/17/719829517.db2.gz SGTHVWMEDGRVFF-RBBKRZOGSA-N 1 0 440.592 2.614 20 0 IFADRO COC(=O)c1nc2cnccc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696273 719894258 /nfs/dbraw/zinc/89/42/58/719894258.db2.gz FHQNYNWEXSWHBT-UHFFFAOYSA-N 1 0 439.541 2.744 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccsc3c(N3CCOCC3)n1)C2 ZINC001164810379 720085297 /nfs/dbraw/zinc/08/52/97/720085297.db2.gz LJVJURLHJUNBTM-MBSDFSHPSA-N 1 0 443.617 2.713 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164711207 720096522 /nfs/dbraw/zinc/09/65/22/720096522.db2.gz PIERCXIEZJQLDE-QGZVFWFLSA-N 1 0 445.951 2.819 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3nc(C(=O)OC)cc-3c(OC)[nH]1)C2 ZINC001164813788 720112078 /nfs/dbraw/zinc/11/20/78/720112078.db2.gz QNSKNHHPOWBFEV-WAIKUNEKSA-N 1 0 428.533 2.543 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1C(N)=O)CC2 ZINC001164714303 720119108 /nfs/dbraw/zinc/11/91/08/720119108.db2.gz BSQYTRDTMZOSLK-KRWDZBQOSA-N 1 0 429.952 2.736 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+][n-]c(Cl)c3ncnc1-3)CC2 ZINC001164716169 720127320 /nfs/dbraw/zinc/12/73/20/720127320.db2.gz JIDRAQGTLVKOOI-INIZCTEOSA-N 1 0 427.940 2.909 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[nH]c(C(=O)OC)cc31)C2 ZINC001164809940 720135578 /nfs/dbraw/zinc/13/55/78/720135578.db2.gz IUOUSHIEDZZYPD-QKKBWIMNSA-N 1 0 433.940 2.583 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CN(C(C)C)C3=O)C2 ZINC001164818869 720155146 /nfs/dbraw/zinc/15/51/46/720155146.db2.gz VCQUAJJRERWOAI-KSFYIVLOSA-N 1 0 433.984 2.679 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1cc(C(=O)OC)n3C)C2 ZINC001164816773 720158199 /nfs/dbraw/zinc/15/81/99/720158199.db2.gz MQWFMSPDPQWFJO-IVZQSRNASA-N 1 0 447.967 2.593 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1cc(C(=O)OC)n3C)C2 ZINC001164816777 720158270 /nfs/dbraw/zinc/15/82/70/720158270.db2.gz MQWFMSPDPQWFJO-OYHNWAKOSA-N 1 0 447.967 2.593 20 0 IFADRO Cn1nnc2c1CCN(c1nccc3c(Cl)ccnc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164714680 720172259 /nfs/dbraw/zinc/17/22/59/720172259.db2.gz RKLLDDJPINQKCW-SFHVURJKSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1nc3ccccc3nc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164717080 720177052 /nfs/dbraw/zinc/17/70/52/720177052.db2.gz KJZNRCKCEUOPPL-SFHVURJKSA-N 1 0 427.940 2.628 20 0 IFADRO Cc1ccc(Cl)nc1C(F)(F)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715892 720188285 /nfs/dbraw/zinc/18/82/85/720188285.db2.gz DEDQUNGEOHRKMH-INIZCTEOSA-N 1 0 440.926 2.933 20 0 IFADRO Cn1nnc2c1CCN(c1cc(F)cc3ncnc(Cl)c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716689 720192903 /nfs/dbraw/zinc/19/29/03/720192903.db2.gz RQYDKTGUVXVIKF-GOSISDBHSA-N 1 0 445.930 2.767 20 0 IFADRO Cn1nnc2c1CCN(c1cc3nc(Cl)cnc3cc1F)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715806 720199678 /nfs/dbraw/zinc/19/96/78/720199678.db2.gz NGPUFYMCXMWPSI-LJQANCHMSA-N 1 0 445.930 2.767 20 0 IFADRO Cc1csc2nc(C)nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164717590 720200463 /nfs/dbraw/zinc/20/04/63/720200463.db2.gz UWWMHENJCYCAQB-KRWDZBQOSA-N 1 0 427.578 2.653 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1C ZINC001164813533 720226912 /nfs/dbraw/zinc/22/69/12/720226912.db2.gz NQXBOKLUWJTGAF-UHFFFAOYSA-N 1 0 427.549 2.682 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(OCc3ccccc3)cnn1)CCC2 ZINC001164814912 720227328 /nfs/dbraw/zinc/22/73/28/720227328.db2.gz ZWXDNQOHISTEDD-UHFFFAOYSA-N 1 0 434.544 2.863 20 0 IFADRO COC(=O)c1cccc2nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)ccc21 ZINC001164813369 720241186 /nfs/dbraw/zinc/24/11/86/720241186.db2.gz NNIHNPVHOLBWCS-UHFFFAOYSA-N 1 0 435.528 2.829 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cncc(N3CCCCCC3)n1)CCC2 ZINC001164813935 720241421 /nfs/dbraw/zinc/24/14/21/720241421.db2.gz SBRHRDWAUOFMGY-UHFFFAOYSA-N 1 0 425.581 2.664 20 0 IFADRO COc1cc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC ZINC001164827825 720302825 /nfs/dbraw/zinc/30/28/25/720302825.db2.gz YGXLCDWOWDIUTG-UXHICEINSA-N 1 0 439.560 2.559 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C(=O)OC(C)(C)C)cn2)CC1 ZINC001164833776 720318013 /nfs/dbraw/zinc/31/80/13/720318013.db2.gz XPEKRTFVCOONKZ-UXHICEINSA-N 1 0 428.577 2.948 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(OCc3ccccc3)n2)CC1 ZINC001164831355 720318103 /nfs/dbraw/zinc/31/81/03/720318103.db2.gz RMCVOPWHBUALGQ-FCHUYYIVSA-N 1 0 435.572 2.967 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(N)cc(Cl)n2)CC1 ZINC001164827742 720324521 /nfs/dbraw/zinc/32/45/21/720324521.db2.gz IFQCKPDDSSIKAO-HOTGVXAUSA-N 1 0 427.927 2.774 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164833976 720324665 /nfs/dbraw/zinc/32/46/65/720324665.db2.gz YJPNVCZNLULZOX-WOJBJXKFSA-N 1 0 428.577 2.787 20 0 IFADRO CCOC(=O)/C=C/c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164831997 720328092 /nfs/dbraw/zinc/32/80/92/720328092.db2.gz SRXCMXDRLZWMGO-ILWFSMKMSA-N 1 0 426.561 2.569 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824775 720328302 /nfs/dbraw/zinc/32/83/02/720328302.db2.gz DHGLMAQKOUUCOV-WOJBJXKFSA-N 1 0 427.524 2.689 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH]c-2n1 ZINC001164824658 720329079 /nfs/dbraw/zinc/32/90/79/720329079.db2.gz CPEBBLIMCIDVRV-WOJBJXKFSA-N 1 0 439.560 2.651 20 0 IFADRO CCOC(=O)c1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164833388 720332446 /nfs/dbraw/zinc/33/24/46/720332446.db2.gz WLAWEEMKSIVDQH-QZTJIDSGSA-N 1 0 434.968 2.823 20 0 IFADRO COc1cc(OC)c2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164829322 720353672 /nfs/dbraw/zinc/35/36/72/720353672.db2.gz REYFSXQGKAVAHV-PMACEKPBSA-N 1 0 439.560 2.559 20 0 IFADRO COc1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(Cl)n1 ZINC001164823594 720354512 /nfs/dbraw/zinc/35/45/12/720354512.db2.gz HEUKLYFMIPCLMI-CABCVRRESA-N 1 0 443.926 2.595 20 0 IFADRO Cc1nc(CO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164823738 720390497 /nfs/dbraw/zinc/39/04/97/720390497.db2.gz PYPMUPSGHHXFAD-NNMXDRDESA-N 1 0 429.590 2.551 20 0 IFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1C ZINC001164731512 720427558 /nfs/dbraw/zinc/42/75/58/720427558.db2.gz LITDLMFUPVULHS-HOTGVXAUSA-N 1 0 426.908 2.657 20 0 IFADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)C1 ZINC001164727954 720444266 /nfs/dbraw/zinc/44/42/66/720444266.db2.gz FJXKNGOBCKBHKH-NJDAHSKKSA-N 1 0 436.560 2.504 20 0 IFADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164731366 720512508 /nfs/dbraw/zinc/51/25/08/720512508.db2.gz WRIJAXFJYWCNEQ-HNNXBMFYSA-N 1 0 426.546 2.776 20 0 IFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834698 720517002 /nfs/dbraw/zinc/51/70/02/720517002.db2.gz HENWJWFNANNYGS-CNNODRBYSA-N 1 0 434.544 2.991 20 0 IFADRO COC(=O)c1ccc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2c1 ZINC001164834684 720517221 /nfs/dbraw/zinc/51/72/21/720517221.db2.gz HCHZXCZVJMZCMU-KCZVDYSFSA-N 1 0 434.544 2.991 20 0 IFADRO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834230 720534622 /nfs/dbraw/zinc/53/46/22/720534622.db2.gz CYGLVTBOHTWGMG-GVDBMIGSSA-N 1 0 432.956 2.881 20 0 IFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)Cc2nc3c(ncnc3Cl)s2)C1 ZINC001164734698 720536314 /nfs/dbraw/zinc/53/63/14/720536314.db2.gz KOSSJSYJQMKDFP-NSHDSACASA-N 1 0 427.912 2.765 20 0 IFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)Cc2nc3c(ncnc3Cl)s2)C1 ZINC001164734697 720536829 /nfs/dbraw/zinc/53/68/29/720536829.db2.gz KOSSJSYJQMKDFP-LLVKDONJSA-N 1 0 427.912 2.765 20 0 IFADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839613 720547773 /nfs/dbraw/zinc/54/77/73/720547773.db2.gz QVLHKRYSXYZANI-JENIJYKNSA-N 1 0 446.983 2.810 20 0 IFADRO CON(C)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838956 720550848 /nfs/dbraw/zinc/55/08/48/720550848.db2.gz OYPWKMSQMPPOOJ-GBESFXJTSA-N 1 0 446.983 2.943 20 0 IFADRO O=C(NCc1ccccc1)c1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733296 720553178 /nfs/dbraw/zinc/55/31/78/720553178.db2.gz KQCFIGVRZJEEJF-UHFFFAOYSA-N 1 0 430.556 2.867 20 0 IFADRO COC(=O)c1cc2ccncc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842560 720553974 /nfs/dbraw/zinc/55/39/74/720553974.db2.gz YIGNYURBMFUCCV-CNNODRBYSA-N 1 0 434.544 2.991 20 0 IFADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164737027 720578330 /nfs/dbraw/zinc/57/83/30/720578330.db2.gz ZBPABDYETUMQFK-UHFFFAOYSA-N 1 0 439.894 2.922 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nnc(Cl)c4c3N(C)CCO4)CC[C@@H]21 ZINC001164836292 720590297 /nfs/dbraw/zinc/59/02/97/720590297.db2.gz FPQBUVKUVWGWHS-ULQDDVLXSA-N 1 0 431.972 2.533 20 0 IFADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739701 720686143 /nfs/dbraw/zinc/68/61/43/720686143.db2.gz OYLGJCGKBFSSRI-LSDHHAIUSA-N 1 0 432.862 2.960 20 0 IFADRO CNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840313 720727362 /nfs/dbraw/zinc/72/73/62/720727362.db2.gz OZVAIZJWQRBONB-QGZVFWFLSA-N 1 0 429.952 2.750 20 0 IFADRO c1cc(OCC[NH+]2CCCC2)nc(N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)c1 ZINC001164845291 720743548 /nfs/dbraw/zinc/74/35/48/720743548.db2.gz ZAFMAWSTEDLFSW-UHFFFAOYSA-N 1 0 449.603 2.893 20 0 IFADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741114 720746069 /nfs/dbraw/zinc/74/60/69/720746069.db2.gz MFGPQXBZFUTMSM-NEPJUHHUSA-N 1 0 431.274 2.546 20 0 IFADRO c1ccc(-c2nsc3c2ncnc3N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164746394 720766667 /nfs/dbraw/zinc/76/66/67/720766667.db2.gz XTPWWZUMKQMIKA-SJORKVTESA-N 1 0 431.525 2.885 20 0 IFADRO c1ccc(-c2nsc3c2ncnc3N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164746393 720767028 /nfs/dbraw/zinc/76/70/28/720767028.db2.gz XTPWWZUMKQMIKA-IRXDYDNUSA-N 1 0 431.525 2.885 20 0 IFADRO Cc1ccc(-c2nc3c(ncnc3N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)o2)cc1 ZINC001164747004 720769270 /nfs/dbraw/zinc/76/92/70/720769270.db2.gz ZQMPSCYAZCJMGK-ROUUACIJSA-N 1 0 429.484 2.725 20 0 IFADRO O=C(OCc1ccccc1)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164744056 720774733 /nfs/dbraw/zinc/77/47/33/720774733.db2.gz QXGKQANVOIJGNH-SFTDATJTSA-N 1 0 431.496 2.571 20 0 IFADRO COc1ccc(Cc2c(C)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2C)cc1 ZINC001164750418 720800794 /nfs/dbraw/zinc/80/07/94/720800794.db2.gz VOQVNSHEXLSVTL-IRLDBZIGSA-N 1 0 446.555 2.825 20 0 IFADRO O=C([C@@H]1CC[C@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1)N1CCCO1 ZINC001164848821 720819164 /nfs/dbraw/zinc/81/91/64/720819164.db2.gz NIFKANVLWQGPRD-VXNXHJTFSA-N 1 0 448.567 2.930 20 0 IFADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739600 720820837 /nfs/dbraw/zinc/82/08/37/720820837.db2.gz HYSVMJNPJAHEJZ-XYJFISCASA-N 1 0 443.983 2.866 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(Cl)n1 ZINC001164745106 720822189 /nfs/dbraw/zinc/82/21/89/720822189.db2.gz WHDULFDHYKNAPM-BRWVUGGUSA-N 1 0 437.926 2.954 20 0 IFADRO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)SCC2 ZINC001164741287 720822819 /nfs/dbraw/zinc/82/28/19/720822819.db2.gz NEAPPJLIDJWXRL-BFYDXBDKSA-N 1 0 431.997 2.749 20 0 IFADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc(C)c2c1 ZINC001164744564 720834601 /nfs/dbraw/zinc/83/46/01/720834601.db2.gz KQCLXGOMDALQFB-YCRNBWNJSA-N 1 0 433.560 2.918 20 0 IFADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc(C)c2c1 ZINC001164744560 720834737 /nfs/dbraw/zinc/83/47/37/720834737.db2.gz KQCLXGOMDALQFB-SELNLUPBSA-N 1 0 433.560 2.918 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740444 720837458 /nfs/dbraw/zinc/83/74/58/720837458.db2.gz BSMSVHVLLBTXBH-MIZPHKNDSA-N 1 0 446.555 2.992 20 0 IFADRO CSc1nc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2s1 ZINC001164748824 720838840 /nfs/dbraw/zinc/83/88/40/720838840.db2.gz UYSCRZSYMXEBKD-HRCADAONSA-N 1 0 442.618 2.779 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH]c-2n1 ZINC001164744710 720839006 /nfs/dbraw/zinc/83/90/06/720839006.db2.gz LHFNOVIVWXKUHT-QKNQBKEWSA-N 1 0 449.559 2.711 20 0 IFADRO CSc1nc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2s1 ZINC001164748828 720839127 /nfs/dbraw/zinc/83/91/27/720839127.db2.gz UYSCRZSYMXEBKD-OWCLPIDISA-N 1 0 442.618 2.779 20 0 IFADRO Nc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164745892 720844385 /nfs/dbraw/zinc/84/43/85/720844385.db2.gz OCIWEVJQFJHVJD-QILLFSRXSA-N 1 0 437.926 2.833 20 0 IFADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccncc2)n1 ZINC001164751815 720844880 /nfs/dbraw/zinc/84/48/80/720844880.db2.gz YVCHFAUZUVDTBS-BHIFYINESA-N 1 0 430.560 2.818 20 0 IFADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccccn2)n1 ZINC001164740494 720845516 /nfs/dbraw/zinc/84/55/16/720845516.db2.gz BZKGXBINSILVGV-RZUBCFFCSA-N 1 0 430.560 2.818 20 0 IFADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164857892 720849605 /nfs/dbraw/zinc/84/96/05/720849605.db2.gz YXDIWGQMDGWBPP-AEFFLSMTSA-N 1 0 446.573 2.555 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]2C1 ZINC001164859506 720859652 /nfs/dbraw/zinc/85/96/52/720859652.db2.gz UDSHZKNEKKTECN-KNQAVFIVSA-N 1 0 439.535 2.792 20 0 IFADRO CSc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(SC)n1 ZINC001164744848 720859913 /nfs/dbraw/zinc/85/99/13/720859913.db2.gz CLIBIGXBNLUOQU-IXDOHACOSA-N 1 0 431.635 2.891 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)CC[C@H]2C1 ZINC001164854853 720860199 /nfs/dbraw/zinc/86/01/99/720860199.db2.gz LEXCDOYMDFIQQQ-UGKGYDQZSA-N 1 0 439.535 2.792 20 0 IFADRO COc1cc(C)c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164752737 720861707 /nfs/dbraw/zinc/86/17/07/720861707.db2.gz UNKNRVMKOJTAOJ-CNNODRBYSA-N 1 0 433.560 2.918 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC[C@@H]2C1 ZINC001164860862 720870786 /nfs/dbraw/zinc/87/07/86/720870786.db2.gz WWLPJFPTUOLYKW-CHWSQXEVSA-N 1 0 425.307 2.588 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)CC[C@@H]2C1 ZINC001164853887 720877689 /nfs/dbraw/zinc/87/76/89/720877689.db2.gz DMMCGBLILBUCAQ-QZTJIDSGSA-N 1 0 425.558 2.927 20 0 IFADRO COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(OC)n1 ZINC001164747320 720880297 /nfs/dbraw/zinc/88/02/97/720880297.db2.gz BDBVAROIAUXURA-YKSBVNFPSA-N 1 0 439.560 2.644 20 0 IFADRO COc1nc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749091 720880874 /nfs/dbraw/zinc/88/08/74/720880874.db2.gz GRWWMZJOJFYJMV-XMSQKQJNSA-N 1 0 444.967 2.684 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)CC[C@H]2C1 ZINC001164861213 720885323 /nfs/dbraw/zinc/88/53/23/720885323.db2.gz PGPFPKONTJYDNS-LSDHHAIUSA-N 1 0 443.882 2.503 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)CC[C@@H]2C1 ZINC001164855096 720887468 /nfs/dbraw/zinc/88/74/68/720887468.db2.gz GILLVJNGEYMPOJ-QUCCMNQESA-N 1 0 432.952 2.883 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3c(Cl)nnc(Cl)c3N3CCCCC3)CC[C@@H]2C1 ZINC001164861387 720893328 /nfs/dbraw/zinc/89/33/28/720893328.db2.gz XVYCUTQYFACBLP-CVEARBPZSA-N 1 0 444.407 2.947 20 0 IFADRO C[C@@H]1C(=O)Nc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164753909 720894376 /nfs/dbraw/zinc/89/43/76/720894376.db2.gz HUZVUTKSBZLUBU-SZUKKWSHSA-N 1 0 448.571 2.682 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)nc1 ZINC001164859388 720896805 /nfs/dbraw/zinc/89/68/05/720896805.db2.gz PIXUXYRXCIOGMS-OAQYLSRUSA-N 1 0 433.560 2.840 20 0 IFADRO Cc1nc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2[nH]1 ZINC001164752683 720898886 /nfs/dbraw/zinc/89/88/86/720898886.db2.gz FQFHXUKYWVZQFF-YKSBVNFPSA-N 1 0 433.560 2.763 20 0 IFADRO Cc1ccc(C(N)=O)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749788 720908528 /nfs/dbraw/zinc/90/85/28/720908528.db2.gz ILNOEZYGGIMLFJ-PXDATVDWSA-N 1 0 435.572 2.639 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164752420 720946321 /nfs/dbraw/zinc/94/63/21/720946321.db2.gz ZKWWDTCQTVTQKD-UHFFFAOYSA-N 1 0 434.274 2.775 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164752307 720952840 /nfs/dbraw/zinc/95/28/40/720952840.db2.gz XPOYZPBPWSILOR-UHFFFAOYSA-N 1 0 440.935 2.563 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164754755 720962570 /nfs/dbraw/zinc/96/25/70/720962570.db2.gz WXMFAJMHCARENI-UHFFFAOYSA-N 1 0 443.511 2.534 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CC2 ZINC001164754472 720962669 /nfs/dbraw/zinc/96/26/69/720962669.db2.gz RVXFOVZQSDDXAP-UHFFFAOYSA-N 1 0 428.581 2.914 20 0 IFADRO Cc1nc2sc3c(c2c(N2CCc4onc(C(=O)NCC[NH+](C)C)c4C2)n1)CCCC3 ZINC001164753174 720962757 /nfs/dbraw/zinc/96/27/57/720962757.db2.gz AREWRBYCZAJHGO-UHFFFAOYSA-N 1 0 440.573 2.721 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164754465 720969424 /nfs/dbraw/zinc/96/94/24/720969424.db2.gz RRTWSNWNMGIMFE-UHFFFAOYSA-N 1 0 439.894 2.611 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164753678 720969709 /nfs/dbraw/zinc/96/97/09/720969709.db2.gz HXVJMERNGUPHBL-UHFFFAOYSA-N 1 0 439.894 2.697 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)Sc1ccc(Cl)nc1)CC2 ZINC001164753470 720970066 /nfs/dbraw/zinc/97/00/66/720970066.db2.gz GJSRMJBKTKRBGG-UHFFFAOYSA-N 1 0 431.896 2.715 20 0 IFADRO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]12 ZINC001164756787 720990482 /nfs/dbraw/zinc/99/04/82/720990482.db2.gz LERILDDBXWDMNL-AKFKNWHVSA-N 1 0 449.599 2.752 20 0 IFADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2ncccc2C[NH+]2CCCC2)C1 ZINC001164758025 721017198 /nfs/dbraw/zinc/01/71/98/721017198.db2.gz HNBWEHPJLOHYCV-YMPZKCBVSA-N 1 0 435.572 2.715 20 0 IFADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N(c2ncccc2C[NH+]2CCCC2)C1 ZINC001164758019 721017443 /nfs/dbraw/zinc/01/74/43/721017443.db2.gz HNBWEHPJLOHYCV-AKIFATBCSA-N 1 0 435.572 2.715 20 0 IFADRO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]12 ZINC001164760937 721021838 /nfs/dbraw/zinc/02/18/38/721021838.db2.gz REHATIIEPLCNBP-VJBWXMMDSA-N 1 0 435.572 2.620 20 0 IFADRO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cn1 ZINC001164762321 721034990 /nfs/dbraw/zinc/03/49/90/721034990.db2.gz HSZMPIGQLUEARM-RPWUZVMVSA-N 1 0 442.567 2.867 20 0 IFADRO O=C(NCc1ccccc1)c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868153 721054691 /nfs/dbraw/zinc/05/46/91/721054691.db2.gz NDUCHYMPJHXNIP-PKTZIBPZSA-N 1 0 443.551 2.886 20 0 IFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1OCC ZINC001164866667 721085040 /nfs/dbraw/zinc/08/50/40/721085040.db2.gz UQEWUENZAJKDGD-OALUTQOASA-N 1 0 426.517 2.532 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)C[C@@H]3C2)cn1 ZINC001164761509 721087716 /nfs/dbraw/zinc/08/77/16/721087716.db2.gz BLOMKRMPYYNZOE-GOTSBHOMSA-N 1 0 443.599 2.727 20 0 IFADRO CCOC(=O)c1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164864510 721089169 /nfs/dbraw/zinc/08/91/69/721089169.db2.gz GCYZVMHBVLRCBZ-WOJBJXKFSA-N 1 0 433.512 2.681 20 0 IFADRO COc1cc2nc(Cl)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164771395 721109120 /nfs/dbraw/zinc/10/91/20/721109120.db2.gz SNQPUKCBPBZMEI-HOTGVXAUSA-N 1 0 442.951 2.992 20 0 IFADRO CCOC(=O)c1cc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2s1 ZINC001164864848 721113284 /nfs/dbraw/zinc/11/32/84/721113284.db2.gz GVVVXOWGVIRTBK-IAGOWNOFSA-N 1 0 439.541 2.743 20 0 IFADRO CC1CCN(C(=O)c2cccnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001164873641 721142592 /nfs/dbraw/zinc/14/25/92/721142592.db2.gz JOQCVPHASQDRCA-VXKWHMMOSA-N 1 0 435.572 2.828 20 0 IFADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164762773 721149607 /nfs/dbraw/zinc/14/96/07/721149607.db2.gz DOUFTELZKDTXOQ-KGLIPLIRSA-N 1 0 439.347 2.652 20 0 IFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164771799 721150713 /nfs/dbraw/zinc/15/07/13/721150713.db2.gz UDOJGKMDJUSMSA-GOEBONIOSA-N 1 0 439.894 2.758 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001164765085 721158923 /nfs/dbraw/zinc/15/89/23/721158923.db2.gz IXEXXRSLQGNZPA-HUUCEWRRSA-N 1 0 433.894 2.915 20 0 IFADRO CCOC(=O)c1cc2ncnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2s1 ZINC001164769424 721166609 /nfs/dbraw/zinc/16/66/09/721166609.db2.gz MHUHMUPZKUFGBV-HZPDHXFCSA-N 1 0 426.546 2.560 20 0 IFADRO COC(=O)c1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2ccccc2c1OC ZINC001164875403 721166901 /nfs/dbraw/zinc/16/69/01/721166901.db2.gz LHZSCPHIRPXKGG-RTBURBONSA-N 1 0 448.523 2.905 20 0 IFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164878464 721173003 /nfs/dbraw/zinc/17/30/03/721173003.db2.gz QDTJEJVKPURURF-VXKWHMMOSA-N 1 0 444.539 2.912 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3N(c4ncccn4)CCC[C@]3(C(=O)NC)C2)nc1 ZINC001164867872 721207417 /nfs/dbraw/zinc/20/74/17/721207417.db2.gz IWSOCXFFSORUEV-CZSZKKDXSA-N 1 0 449.603 2.640 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C[C@@H]3C2)cn1 ZINC001164764947 721215264 /nfs/dbraw/zinc/21/52/64/721215264.db2.gz HHEBUCSYFJRDML-SFTDATJTSA-N 1 0 446.555 2.997 20 0 IFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2OCCN(c3cnccn3)[C@H]2C1 ZINC001164767007 721267847 /nfs/dbraw/zinc/26/78/47/721267847.db2.gz PWJWSCAMELHBLO-ROUUACIJSA-N 1 0 448.905 2.541 20 0 IFADRO Cc1cccc2c(Cl)nnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c12 ZINC001164869880 721272760 /nfs/dbraw/zinc/27/27/60/721272760.db2.gz RTOFKTJVMHDQHO-UHFFFAOYSA-N 1 0 431.968 2.599 20 0 IFADRO COc1cnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c2cc(Cl)ccc12 ZINC001164870277 721274297 /nfs/dbraw/zinc/27/42/97/721274297.db2.gz VDEVSAJFOPXXHQ-UHFFFAOYSA-N 1 0 446.979 2.904 20 0 IFADRO Cc1cccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c12 ZINC001164872470 721280939 /nfs/dbraw/zinc/28/09/39/721280939.db2.gz DVZDHEDXYCRFNG-UHFFFAOYSA-N 1 0 431.968 2.599 20 0 IFADRO CC(C)c1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(C(C)(C)C)n1 ZINC001164876584 721288269 /nfs/dbraw/zinc/28/82/69/721288269.db2.gz ITQQUDBZXFJBAW-UHFFFAOYSA-N 1 0 431.625 2.905 20 0 IFADRO Cc1ccc(N2CCO[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]32)nn1 ZINC001164777194 721309924 /nfs/dbraw/zinc/30/99/24/721309924.db2.gz RRMBPCUTAGOSCS-BJKOFHAPSA-N 1 0 442.567 2.832 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(Cl)c(C(N)=O)n3)C2)C1 ZINC001164777431 721336945 /nfs/dbraw/zinc/33/69/45/721336945.db2.gz NEQOUTDHZOQBIX-OAQYLSRUSA-N 1 0 433.940 2.558 20 0 IFADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3ncn4C)C2)C1 ZINC001164778305 721345269 /nfs/dbraw/zinc/34/52/69/721345269.db2.gz MFBBCVISFTXUQN-OAQYLSRUSA-N 1 0 445.955 2.741 20 0 IFADRO c1cnc(N2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)c(C[NH+]2CCCC2)c1 ZINC001164884620 721361741 /nfs/dbraw/zinc/36/17/41/721361741.db2.gz VVZZCDASPQXWOD-UHFFFAOYSA-N 1 0 447.587 2.941 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884457 721384136 /nfs/dbraw/zinc/38/41/36/721384136.db2.gz BCYXVICHQWHXCY-QFBILLFUSA-N 1 0 429.943 2.749 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884455 721384240 /nfs/dbraw/zinc/38/42/40/721384240.db2.gz BCYXVICHQWHXCY-APWZRJJASA-N 1 0 429.943 2.749 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cncc(OCc5ccccc5)n4)C3)O2)CC1 ZINC001164884370 721393369 /nfs/dbraw/zinc/39/33/69/721393369.db2.gz AMTCVCODNXZGBS-DHLKQENFSA-N 1 0 437.588 2.821 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)Oc4cccnc4Cl)C3)O2)CC1 ZINC001164890438 721395249 /nfs/dbraw/zinc/39/52/49/721395249.db2.gz NIZFNNFZENVBLV-APWZRJJASA-N 1 0 430.927 2.925 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164883940 721401550 /nfs/dbraw/zinc/40/15/50/721401550.db2.gz CTBVYODQIDGVCS-AUSIDOKSSA-N 1 0 442.995 2.957 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2[nH]1 ZINC001164889455 721404260 /nfs/dbraw/zinc/40/42/60/721404260.db2.gz QQEGXFVMWKGJDJ-YADARESESA-N 1 0 441.576 2.505 20 0 IFADRO CSc1nc2c(c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)n1)CCCC2 ZINC001164892913 721407544 /nfs/dbraw/zinc/40/75/44/721407544.db2.gz ZFQQNSBYXOUVDS-FDDCHVKYSA-N 1 0 431.650 2.843 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164885787 721416444 /nfs/dbraw/zinc/41/64/44/721416444.db2.gz HJEYTEIDMTYOOB-FOIQADDNSA-N 1 0 437.013 2.814 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(N)cc(Cl)n4)C3)O2)CC1 ZINC001164886546 721419114 /nfs/dbraw/zinc/41/91/14/721419114.db2.gz JRCFLDCGWOQAJU-VQIMIIECSA-N 1 0 429.943 2.628 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892396 721422810 /nfs/dbraw/zinc/42/28/10/721422810.db2.gz XYKDEQVUEQWCGE-SBUREZEXSA-N 1 0 429.540 2.543 20 0 IFADRO COc1cccc(-c2ccnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)n2)c1 ZINC001164891967 721424544 /nfs/dbraw/zinc/42/45/44/721424544.db2.gz XGVBKJNWVPCKPV-WIOPSUGQSA-N 1 0 437.588 2.918 20 0 IFADRO CCCN(CCC)c1cncc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892980 721425488 /nfs/dbraw/zinc/42/54/88/721425488.db2.gz INFLOHMPUDYEQL-QPPBQGQZSA-N 1 0 430.641 2.868 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C3)O2)CC1 ZINC001164894312 721427814 /nfs/dbraw/zinc/42/78/14/721427814.db2.gz LLSUVIQCQMZAPI-KSSFIOAISA-N 1 0 447.983 2.729 20 0 IFADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)[nH]1 ZINC001164895854 721429606 /nfs/dbraw/zinc/42/96/06/721429606.db2.gz QHUWAYPOBOWMQB-VGOFRKELSA-N 1 0 433.000 2.939 20 0 IFADRO COC(=O)c1ccc2cc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ncc2c1 ZINC001164898714 721430687 /nfs/dbraw/zinc/43/06/87/721430687.db2.gz WRKYPURPLLQMHL-DHLKQENFSA-N 1 0 438.572 2.787 20 0 IFADRO COC(=O)c1ccc2cc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ncc2c1 ZINC001164898715 721431005 /nfs/dbraw/zinc/43/10/05/721431005.db2.gz WRKYPURPLLQMHL-RCZVLFRGSA-N 1 0 438.572 2.787 20 0 IFADRO COc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1 ZINC001164893005 721433187 /nfs/dbraw/zinc/43/31/87/721433187.db2.gz IOZWTWMIHBMQPZ-DHLKQENFSA-N 1 0 437.588 2.918 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)nn1 ZINC001164893675 721436679 /nfs/dbraw/zinc/43/66/79/721436679.db2.gz JXSOTMZPFOZSRP-LPHOPBHVSA-N 1 0 429.943 2.749 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894395 721437956 /nfs/dbraw/zinc/43/79/56/721437956.db2.gz LXGJWWQGGBCJJH-CPJSRVTESA-N 1 0 438.572 2.787 20 0 IFADRO COc1ccccc1-c1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164899809 721437993 /nfs/dbraw/zinc/43/79/93/721437993.db2.gz ZDZZITUNRVGEAX-NLFFAJNJSA-N 1 0 437.588 2.918 20 0 IFADRO Cc1nc(-c2ccncc2)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164893000 721442143 /nfs/dbraw/zinc/44/21/43/721442143.db2.gz INMMGWWDOHSGTN-RCZVLFRGSA-N 1 0 436.604 2.921 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)C3)O2)CC1 ZINC001164891488 721442884 /nfs/dbraw/zinc/44/28/84/721442884.db2.gz GPIIIWXPVBGDIB-RLWLMLJZSA-N 1 0 448.615 2.793 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cncc(N5CCCCCC5)n4)C3)O2)CC1 ZINC001164894921 721442942 /nfs/dbraw/zinc/44/29/42/721442942.db2.gz NIEQTTVMOQARKZ-URXFXBBRSA-N 1 0 428.625 2.622 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)C3)O2)CC1 ZINC001164891486 721443018 /nfs/dbraw/zinc/44/30/18/721443018.db2.gz GPIIIWXPVBGDIB-QFQXNSOFSA-N 1 0 448.615 2.793 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4ncn5-c4ccccc4)C3)O2)CC1 ZINC001164894365 721445247 /nfs/dbraw/zinc/44/52/47/721445247.db2.gz LWYNOWZKXPEZKR-OFVILXPXSA-N 1 0 447.587 2.581 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3nc[nH]c31)CC2 ZINC001164785284 721448861 /nfs/dbraw/zinc/44/88/61/721448861.db2.gz IETFQKUZDIDATJ-INIZCTEOSA-N 1 0 434.972 2.740 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(F)cc1C(=O)OC)CC2 ZINC001164787834 721451455 /nfs/dbraw/zinc/45/14/55/721451455.db2.gz QWUBBOXROXVUER-LJQANCHMSA-N 1 0 435.540 2.741 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(C(N)=S)c5ccsc54)C3)O2)CC1 ZINC001164892737 721452606 /nfs/dbraw/zinc/45/26/06/721452606.db2.gz XSSRSWCGXLRNLQ-AOMKIAJQSA-N 1 0 445.658 2.696 20 0 IFADRO COc1cc(C)c2ncnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164892051 721453782 /nfs/dbraw/zinc/45/37/82/721453782.db2.gz WBRZVUBIPZOUAE-YADARESESA-N 1 0 425.577 2.712 20 0 IFADRO CCOC(=O)c1cnc(C)nc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164785983 721455644 /nfs/dbraw/zinc/45/56/44/721455644.db2.gz KYTLIEFZHJRBDA-FQEVSTJZSA-N 1 0 446.592 2.696 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)OC)c(C)cn1)CC2 ZINC001164783556 721461960 /nfs/dbraw/zinc/46/19/60/721461960.db2.gz DLINCGJGWQWZGE-HXUWFJFHSA-N 1 0 431.577 2.911 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(N3CCCC3)n1)CC2 ZINC001164783880 721463603 /nfs/dbraw/zinc/46/36/03/721463603.db2.gz GFGHHJYSSAIISC-OAQYLSRUSA-N 1 0 429.609 2.811 20 0 IFADRO Fc1cccnc1OC[C@@]12COC[C@H]1CN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164793227 721487261 /nfs/dbraw/zinc/48/72/61/721487261.db2.gz QEOHHJBPAPGFHB-WZONZLPQSA-N 1 0 428.508 2.622 20 0 IFADRO CCNS(=O)(=O)c1cccnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796797 721497059 /nfs/dbraw/zinc/49/70/59/721497059.db2.gz YHCQWWXROPYGSF-UHFFFAOYSA-N 1 0 429.590 2.656 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4ccc(Cl)cc42)CC3)CC1 ZINC001164796651 721508214 /nfs/dbraw/zinc/50/82/14/721508214.db2.gz VILNSXCMNMEELX-UHFFFAOYSA-N 1 0 432.359 2.901 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc4cnc(Cl)nc4c2)CC3)CC1 ZINC001164796860 721516096 /nfs/dbraw/zinc/51/60/96/721516096.db2.gz FLNSQDBRWQGUFQ-UHFFFAOYSA-N 1 0 447.921 2.792 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc(Cc4ccccc4)n2)CC3)CC1 ZINC001164799153 721517456 /nfs/dbraw/zinc/51/74/56/721517456.db2.gz XNOANUULMQXGDH-UHFFFAOYSA-N 1 0 437.979 2.685 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cccc4c(Cl)ncnc42)CC3)CC1 ZINC001164795673 721519484 /nfs/dbraw/zinc/51/94/84/721519484.db2.gz QYUCRGWXKBYCRU-UHFFFAOYSA-N 1 0 447.921 2.792 20 0 IFADRO CCOc1ccc(-c2ccc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nn2)cc1 ZINC001164794779 721520102 /nfs/dbraw/zinc/52/01/02/721520102.db2.gz HPYBUBDAMWEWMG-UHFFFAOYSA-N 1 0 433.560 2.506 20 0 IFADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909751 721529536 /nfs/dbraw/zinc/52/95/36/721529536.db2.gz RSTZWZFTFFLPIG-NVXWUHKLSA-N 1 0 434.899 2.717 20 0 IFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)[nH]1 ZINC001164908803 721542269 /nfs/dbraw/zinc/54/22/69/721542269.db2.gz QQKFEIWJMMRONU-DZGCQCFKSA-N 1 0 445.882 2.879 20 0 IFADRO CCCNC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909259 721567529 /nfs/dbraw/zinc/56/75/29/721567529.db2.gz UBVWPOUNGXALSD-WBVHZDCISA-N 1 0 433.915 2.751 20 0 IFADRO COc1cc(OC)c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1 ZINC001164805823 721590733 /nfs/dbraw/zinc/59/07/33/721590733.db2.gz LYNOCHLYOSHMFH-ZRCGQRJVSA-N 1 0 435.528 2.910 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@@H]32)nc1 ZINC001164798613 721596753 /nfs/dbraw/zinc/59/67/53/721596753.db2.gz KOTYMIFMUWICCM-CLAROIROSA-N 1 0 428.577 2.614 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c2CCN(Cc2ccccc2)C3)CC1 ZINC001165011632 721735487 /nfs/dbraw/zinc/73/54/87/721735487.db2.gz TXMOFLNYIMVROJ-UHFFFAOYSA-N 1 0 448.615 2.558 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(C(=O)OCc3ccccc3)cn2)CC1 ZINC001165009828 721746308 /nfs/dbraw/zinc/74/63/08/721746308.db2.gz JGJWRVVNORBJAV-UHFFFAOYSA-N 1 0 436.556 2.962 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)nc1 ZINC001165013180 721758136 /nfs/dbraw/zinc/75/81/36/721758136.db2.gz JUMNWNZTLKGIDU-ZZLPTCMGSA-N 1 0 438.576 2.528 20 0 IFADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001164912558 721761625 /nfs/dbraw/zinc/76/16/25/721761625.db2.gz ZVCRYRIIJINFAQ-UHFFFAOYSA-N 1 0 434.544 2.790 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CN(C(=O)C(C)C)CCO3)C2)nc1 ZINC001165020958 721788044 /nfs/dbraw/zinc/78/80/44/721788044.db2.gz MOKNTJVGKZIWGP-QPPBQGQZSA-N 1 0 430.593 2.719 20 0 IFADRO COC(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C(=O)OC ZINC001165021490 721803254 /nfs/dbraw/zinc/80/32/54/721803254.db2.gz HGYLZHDYQBKWPX-DBVUQKKJSA-N 1 0 438.528 2.787 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(S(N)(=O)=O)cc3Cl)C[C@H]21 ZINC001165018793 721809236 /nfs/dbraw/zinc/80/92/36/721809236.db2.gz AFWOXZPQFUDXQM-LSBZLQRGSA-N 1 0 435.981 2.514 20 0 IFADRO CN1c2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001165027474 721813501 /nfs/dbraw/zinc/81/35/01/721813501.db2.gz UVKMGIVNPQAUOC-WJMWBRGCSA-N 1 0 447.587 2.554 20 0 IFADRO COC(=O)c1cc2cnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2n1C ZINC001165029069 721822189 /nfs/dbraw/zinc/82/21/89/721822189.db2.gz WWBODHOSPCCLMP-VDGAXYAQSA-N 1 0 434.544 2.887 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)NC4CC4)cn3)C[C@@H]21 ZINC001165024602 721824818 /nfs/dbraw/zinc/82/48/18/721824818.db2.gz KRQFCQPBQWXYAD-BULFRSBZSA-N 1 0 441.601 2.654 20 0 IFADRO COC(=O)CSc1cncc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165026743 721826647 /nfs/dbraw/zinc/82/66/47/721826647.db2.gz PYZSAVRUHZSRIK-QXAKKESOSA-N 1 0 427.574 2.874 20 0 IFADRO Cc1nc(CN2CCOC[C@]3(CN(c4ccc(C[NH+]5CCCC5)cn4)CCO3)C2)cs1 ZINC001164923005 721831928 /nfs/dbraw/zinc/83/19/28/721831928.db2.gz QFIPUGQJIFXHLR-HSZRJFAPSA-N 1 0 443.617 2.550 20 0 IFADRO COCCOc1cc2ncnc(N3CC[NH+](C4CCCC4)CC3)c2cc1OCCOC ZINC001165029852 721853968 /nfs/dbraw/zinc/85/39/68/721853968.db2.gz NQBLQHBXOZEFHP-UHFFFAOYSA-N 1 0 430.549 2.745 20 0 IFADRO CCOC(=O)c1cnc(OC)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939805 721924919 /nfs/dbraw/zinc/92/49/19/721924919.db2.gz NKKLHPVCAHFYMK-UHFFFAOYSA-N 1 0 440.544 2.842 20 0 IFADRO CS(=O)(=O)N1C[C@@H]2CCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@@H]2C1 ZINC001164948213 721983025 /nfs/dbraw/zinc/98/30/25/721983025.db2.gz JYBGOXSNDYDRMY-RBBKRZOGSA-N 1 0 426.586 2.500 20 0 IFADRO CS(=O)(=O)N1C[C@H]2CCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@@H]2C1 ZINC001164948206 721983184 /nfs/dbraw/zinc/98/31/84/721983184.db2.gz JYBGOXSNDYDRMY-IFMALSPDSA-N 1 0 426.586 2.500 20 0 IFADRO COc1ccc(-c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nn2)c(OC)c1OC ZINC001165055283 722019522 /nfs/dbraw/zinc/01/95/22/722019522.db2.gz OOZWPZBLJOOUAQ-UHFFFAOYSA-N 1 0 435.528 2.929 20 0 IFADRO COc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1NC(C)C ZINC001164961190 722051522 /nfs/dbraw/zinc/05/15/22/722051522.db2.gz UVZOFFKRECPPLI-UHFFFAOYSA-N 1 0 426.565 2.820 20 0 IFADRO CC(C)OC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164958091 722053991 /nfs/dbraw/zinc/05/39/91/722053991.db2.gz BXLMQSCNQFJFGA-UHFFFAOYSA-N 1 0 425.533 2.556 20 0 IFADRO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(OC)c1 ZINC001164963973 722057854 /nfs/dbraw/zinc/05/78/54/722057854.db2.gz QDENIRVGIIWLBZ-UHFFFAOYSA-N 1 0 440.544 2.781 20 0 IFADRO S=c1nc2[nH]cnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c-2s1 ZINC001164960000 722058916 /nfs/dbraw/zinc/05/89/16/722058916.db2.gz CEHISSBZNVYMJV-UHFFFAOYSA-N 1 0 428.587 2.889 20 0 IFADRO CCOC(=O)c1cnc(CC)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960726 722061310 /nfs/dbraw/zinc/06/13/10/722061310.db2.gz JKMHGZUFCYILKT-UHFFFAOYSA-N 1 0 439.560 2.730 20 0 IFADRO O=C(c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CCCCC1 ZINC001164983398 722102063 /nfs/dbraw/zinc/10/20/63/722102063.db2.gz PXIHCQVXRFVDKN-FYYLOGMGSA-N 1 0 435.572 2.830 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc21 ZINC001164970959 722108696 /nfs/dbraw/zinc/10/86/96/722108696.db2.gz AYWVTFMZEQUVOK-GCJKJVERSA-N 1 0 433.512 2.539 20 0 IFADRO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1OC ZINC001164974243 722135408 /nfs/dbraw/zinc/13/54/08/722135408.db2.gz CQVFWYWGAGHQAM-SJLPKXTDSA-N 1 0 446.935 2.653 20 0 IFADRO FC(F)(COc1cncc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976066 722143806 /nfs/dbraw/zinc/14/38/06/722143806.db2.gz GXZFTFZNUFBKAO-SJORKVTESA-N 1 0 439.894 2.720 20 0 IFADRO COc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)n1 ZINC001164971735 722157255 /nfs/dbraw/zinc/15/72/55/722157255.db2.gz FBAANJUNFDCDIL-HZPDHXFCSA-N 1 0 439.894 2.806 20 0 IFADRO O=C(NC1CCOCC1)c1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164996486 722210475 /nfs/dbraw/zinc/21/04/75/722210475.db2.gz NNSWAPZWMXAHRO-XMMPIXPASA-N 1 0 439.535 2.769 20 0 IFADRO CN1CCN(c2ncnc3c2CCN(c2[nH+]c(N4CCCC4)cc4ccccc42)CC3)CC1 ZINC001165002679 722238195 /nfs/dbraw/zinc/23/81/95/722238195.db2.gz XFGAHANKTBRSFK-UHFFFAOYSA-N 1 0 443.599 2.982 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(C(=O)c4cccn4C)C[C@@H]3C2)nc1 ZINC001165005900 722244765 /nfs/dbraw/zinc/24/47/65/722244765.db2.gz VROHALPASJQOOU-XPNTWCBSSA-N 1 0 437.588 2.944 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(NC(=O)OC(C)(C)C)ncn1)CCC2 ZINC001165001046 722251289 /nfs/dbraw/zinc/25/12/89/722251289.db2.gz ZUWRIHMSRRHGGG-UHFFFAOYSA-N 1 0 431.541 2.509 20 0 IFADRO COc1ccc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c(Cl)nc2c1 ZINC001164999796 722252572 /nfs/dbraw/zinc/25/25/72/722252572.db2.gz FVNRJFKPSSFHDM-UHFFFAOYSA-N 1 0 430.940 2.977 20 0 IFADRO COc1cccc2nc(Cl)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c21 ZINC001165001593 722254200 /nfs/dbraw/zinc/25/42/00/722254200.db2.gz CEDJCOHYKVTFML-UHFFFAOYSA-N 1 0 430.940 2.977 20 0 IFADRO Cc1nc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(Cl)c1C ZINC001165002223 722254894 /nfs/dbraw/zinc/25/48/94/722254894.db2.gz LSJPOFSABYCFPW-UHFFFAOYSA-N 1 0 428.915 2.977 20 0 IFADRO Cc1nc(C)c(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)s1 ZINC001165004839 722257451 /nfs/dbraw/zinc/25/74/51/722257451.db2.gz VTSMWGLYQQTQKJ-UHFFFAOYSA-N 1 0 427.578 2.902 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(C(N)=S)c3ccsc31)CCC2 ZINC001165004623 722258166 /nfs/dbraw/zinc/25/81/66/722258166.db2.gz UFVCZNBSTXJQKE-UHFFFAOYSA-N 1 0 430.603 2.616 20 0 IFADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CCC3(CC([NH3+])C3)CC2)C1=O ZINC001164386903 718802293 /nfs/dbraw/zinc/80/22/93/718802293.db2.gz HBBHUISDZASVHG-NRFANRHFSA-N 1 0 436.963 2.725 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@H]5[NH2+]CCO[C@@H]5C4)c23)C1 ZINC001164389712 718824372 /nfs/dbraw/zinc/82/43/72/718824372.db2.gz JKNBRPBAASLVDY-KBAYOESNSA-N 1 0 427.618 2.979 20 0 IFADRO O=C1NCCN(C(F)(F)c2cc(-c3ccccc3C(F)(F)F)nnc2Cl)C12C[NH2+]C2 ZINC001164414636 718879420 /nfs/dbraw/zinc/87/94/20/718879420.db2.gz VOIWJWPCFQPDIG-UHFFFAOYSA-N 1 0 447.795 2.639 20 0 IFADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416342 718885722 /nfs/dbraw/zinc/88/57/22/718885722.db2.gz VIRVYBICCPSYLQ-IBGZPJMESA-N 1 0 429.887 2.615 20 0 IFADRO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3CCCO[C@@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164419462 718899751 /nfs/dbraw/zinc/89/97/51/718899751.db2.gz ARMGOWROPHHSNP-BBTUJRGHSA-N 1 0 430.593 2.886 20 0 IFADRO Cc1nc2c(n1-c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)CC[NH2+]CC2 ZINC001164427462 718949468 /nfs/dbraw/zinc/94/94/68/718949468.db2.gz CTWFFRDKSKTPFP-UHFFFAOYSA-N 1 0 438.601 2.585 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164434143 718967764 /nfs/dbraw/zinc/96/77/64/718967764.db2.gz OXMXVTSGBHQOEW-OLZOCXBDSA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164435096 718968154 /nfs/dbraw/zinc/96/81/54/718968154.db2.gz YZMHSDVGPUMXGW-KBPBESRZSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164434797 718968191 /nfs/dbraw/zinc/96/81/91/718968191.db2.gz VQRPGMQRVDOOTB-ZIAGYGMSSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nc(C)cc(Cl)n1)C2 ZINC001164434986 718968246 /nfs/dbraw/zinc/96/82/46/718968246.db2.gz WRMXIDYTGUFHRQ-UONOGXRCSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164435098 718968319 /nfs/dbraw/zinc/96/83/19/718968319.db2.gz YZMHSDVGPUMXGW-UONOGXRCSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164434795 718968523 /nfs/dbraw/zinc/96/85/23/718968523.db2.gz VQRPGMQRVDOOTB-KGLIPLIRSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164434852 718969070 /nfs/dbraw/zinc/96/90/70/718969070.db2.gz WGWUFNHRITYVNS-KGLIPLIRSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164434116 718969156 /nfs/dbraw/zinc/96/91/56/718969156.db2.gz OJTPZMQUGYTWDI-KBPBESRZSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164434853 718969442 /nfs/dbraw/zinc/96/94/42/718969442.db2.gz WGWUFNHRITYVNS-UONOGXRCSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC001164616101 719017765 /nfs/dbraw/zinc/01/77/65/719017765.db2.gz KJTCNWNGWNWZJJ-ULQDDVLXSA-N 1 0 429.590 2.634 20 0 IFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)c2cc(OC)ccc2n1 ZINC001164620243 719018593 /nfs/dbraw/zinc/01/85/93/719018593.db2.gz YAXAJTBVASHOAL-LKTVYLICSA-N 1 0 426.851 2.567 20 0 IFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)c2cc(OC)ccc2n1 ZINC001164620249 719018596 /nfs/dbraw/zinc/01/85/96/719018596.db2.gz YAXAJTBVASHOAL-NZVBXONLSA-N 1 0 426.851 2.567 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc5c(cc43)OCCO5)CC2)CC1 ZINC001164613746 719023578 /nfs/dbraw/zinc/02/35/78/719023578.db2.gz BPVQKFQIPACIOO-UHFFFAOYSA-N 1 0 426.517 2.645 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cnc4cc(OC)c(OC)cc4n3)CC2)CC1 ZINC001164613744 719025967 /nfs/dbraw/zinc/02/59/67/719025967.db2.gz BODTULJBEZKFQK-UHFFFAOYSA-N 1 0 428.533 2.891 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc(Cl)c3[C@H](C)C(=O)OC)CC2)CC1 ZINC001164618649 719035267 /nfs/dbraw/zinc/03/52/67/719035267.db2.gz XFTPNQYTIKQQMF-AWEZNQCLSA-N 1 0 438.956 2.650 20 0 IFADRO COC(=O)C1CCN(c2nccnc2N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001164628639 719086631 /nfs/dbraw/zinc/08/66/31/719086631.db2.gz NVCQBQJDQBLYPA-VXKWHMMOSA-N 1 0 435.572 2.967 20 0 IFADRO O=S(=O)(c1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1)N1CCCC1 ZINC001164632487 719104863 /nfs/dbraw/zinc/10/48/63/719104863.db2.gz ZOSPAVSQTLNHMG-IFMALSPDSA-N 1 0 426.586 2.967 20 0 IFADRO [NH3+]C1([C@@H]2CN(c3ncccc3C(=O)N3CCN(Cc4ccccc4)CC3)C[C@H]2CF)CC1 ZINC001164620015 719120492 /nfs/dbraw/zinc/12/04/92/719120492.db2.gz GIHNYAYOCSAUCR-IFMALSPDSA-N 1 0 437.563 2.553 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CCN3C)nc1 ZINC001164644949 719284434 /nfs/dbraw/zinc/28/44/34/719284434.db2.gz XNEICIUBVGWGNK-JOCHJYFZSA-N 1 0 443.636 2.778 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)n2)CC1 ZINC001164670135 719515695 /nfs/dbraw/zinc/51/56/95/719515695.db2.gz BJXPNWCBMOLOSI-UHFFFAOYSA-N 1 0 439.579 2.844 20 0 IFADRO Fc1ccc(CN2CCOCC23CCN(c2cccc(N4CCOCC4)[nH+]2)CC3)cc1 ZINC001164674099 719516347 /nfs/dbraw/zinc/51/63/47/719516347.db2.gz ZSHRLZIEPSUMAJ-UHFFFAOYSA-N 1 0 426.536 2.929 20 0 IFADRO CCOC(=O)c1cnc(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1Cl ZINC001164682713 719604445 /nfs/dbraw/zinc/60/44/45/719604445.db2.gz FMUBFRWJEMYKHL-UHFFFAOYSA-N 1 0 442.898 2.587 20 0 IFADRO COC(=O)c1ccc2nc(Cl)c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc2c1 ZINC001164683422 719604706 /nfs/dbraw/zinc/60/47/06/719604706.db2.gz IZSVHHSKQDRGHJ-UHFFFAOYSA-N 1 0 428.924 2.741 20 0 IFADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)c2c1CC[NH2+]C2 ZINC001164684594 719621298 /nfs/dbraw/zinc/62/12/98/719621298.db2.gz VIFLLVRXBKGLIZ-KRWDZBQOSA-N 1 0 444.971 2.850 20 0 IFADRO CCOC(Cc1c(Cl)ncnc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2)OCC ZINC001164682522 719622976 /nfs/dbraw/zinc/62/29/76/719622976.db2.gz NPLMRJONUFWXHV-UHFFFAOYSA-N 1 0 436.988 2.743 20 0 IFADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683612 719632887 /nfs/dbraw/zinc/63/28/87/719632887.db2.gz UCXLDPRSSQJOFV-UHFFFAOYSA-N 1 0 435.576 2.687 20 0 IFADRO Cc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C(N)=O ZINC001164680800 719666265 /nfs/dbraw/zinc/66/62/65/719666265.db2.gz HPWQWBRXEKZLEX-LJQANCHMSA-N 1 0 449.599 2.582 20 0 IFADRO COCc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684349 719666884 /nfs/dbraw/zinc/66/68/84/719666884.db2.gz TUJWJLRHFIEHEC-IBGZPJMESA-N 1 0 437.588 2.716 20 0 IFADRO COc1cc(C)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686921 719667206 /nfs/dbraw/zinc/66/72/06/719667206.db2.gz ZBMIVEVNTOIIBG-IBGZPJMESA-N 1 0 437.588 2.887 20 0 IFADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164683847 719712429 /nfs/dbraw/zinc/71/24/29/719712429.db2.gz LBZZBCHXDRCVDW-UHFFFAOYSA-N 1 0 443.573 2.563 20 0 IFADRO CN1CCOc2c(Cl)nnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c21 ZINC001164697701 719896688 /nfs/dbraw/zinc/89/66/88/719896688.db2.gz NTPJJTWFMHEVJG-UHFFFAOYSA-N 1 0 435.981 2.892 20 0 IFADRO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cn1 ZINC001164710233 720070553 /nfs/dbraw/zinc/07/05/53/720070553.db2.gz DIWUUFXPIJAIMX-DHIUTWEWSA-N 1 0 428.540 2.758 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001164810979 720073985 /nfs/dbraw/zinc/07/39/85/720073985.db2.gz MNAPQFFMLORQCX-KUHUBIRLSA-N 1 0 428.911 2.564 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccsc3c(N3CCOCC3)n1)C2 ZINC001164810378 720084839 /nfs/dbraw/zinc/08/48/39/720084839.db2.gz LJVJURLHJUNBTM-JPYJTQIMSA-N 1 0 443.617 2.713 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(N)=O)cc(Cl)n1)CC2 ZINC001164709609 720096417 /nfs/dbraw/zinc/09/64/17/720096417.db2.gz BGRFTMYPKAIVQK-SFHVURJKSA-N 1 0 429.952 2.736 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)C2 ZINC001164812470 720110601 /nfs/dbraw/zinc/11/06/01/720110601.db2.gz OMVYFYQNECULEX-DFBJGRDBSA-N 1 0 435.572 2.547 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)C2 ZINC001164812472 720110738 /nfs/dbraw/zinc/11/07/38/720110738.db2.gz OMVYFYQNECULEX-UQBPGWFLSA-N 1 0 435.572 2.547 20 0 IFADRO Cn1nnc2c1CCN(c1cc(Oc3ccccc3)ncn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716133 720172807 /nfs/dbraw/zinc/17/28/07/720172807.db2.gz XYAUTZMYSWVYTA-HXUWFJFHSA-N 1 0 435.532 2.614 20 0 IFADRO Cn1nnc2c1CCN(c1nnc(Cl)c3ccsc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164720025 720173173 /nfs/dbraw/zinc/17/31/73/720173173.db2.gz ZKYVCVJQCWDTTF-HNNXBMFYSA-N 1 0 433.969 2.689 20 0 IFADRO Cn1nnc2c1CCN(c1ccc3cc(Cl)cnc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719206 720178704 /nfs/dbraw/zinc/17/87/04/720178704.db2.gz ULLAFIUTJYUYLL-GOSISDBHSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c(F)cccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718792 720179266 /nfs/dbraw/zinc/17/92/66/720179266.db2.gz RKCLTHXGUDHZFV-KRWDZBQOSA-N 1 0 445.930 2.767 20 0 IFADRO CCc1cc2c(ncnc2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)s1 ZINC001164715932 720181099 /nfs/dbraw/zinc/18/10/99/720181099.db2.gz DTFSHSAAGCIZPY-GOSISDBHSA-N 1 0 427.578 2.598 20 0 IFADRO Cc1ccc2c(c1)nc(Cl)nc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719958 720182629 /nfs/dbraw/zinc/18/26/29/720182629.db2.gz ZAUDOVDTQZNVCL-LJQANCHMSA-N 1 0 441.967 2.936 20 0 IFADRO Cn1nnc2c1CCN(c1cc3c(Cl)ccnc3cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719904 720188705 /nfs/dbraw/zinc/18/87/05/720188705.db2.gz YKBRJCRFPBFEBO-IBGZPJMESA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1ncc3c(n1)-c1ccccc1CC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717168 720193163 /nfs/dbraw/zinc/19/31/63/720193163.db2.gz TZCNYQMSUSIBIC-JOCHJYFZSA-N 1 0 445.571 2.587 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)C2 ZINC001164810940 720194516 /nfs/dbraw/zinc/19/45/16/720194516.db2.gz FSVCGYDYHJCNFW-BEFAXECRSA-N 1 0 429.943 2.926 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)C2 ZINC001164810945 720195494 /nfs/dbraw/zinc/19/54/94/720195494.db2.gz FSVCGYDYHJCNFW-HNAYVOBHSA-N 1 0 429.943 2.926 20 0 IFADRO Cc1ccc(-c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nn2)cc1 ZINC001164714725 720195991 /nfs/dbraw/zinc/19/59/91/720195991.db2.gz HQEQNXBJKLLTNX-QFIPXVFZSA-N 1 0 433.560 2.797 20 0 IFADRO Cn1nnc2c1CCN(c1nnc(Cl)c3ccc(F)cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716677 720201333 /nfs/dbraw/zinc/20/13/33/720201333.db2.gz RIDQSSJOYZOOTQ-SFHVURJKSA-N 1 0 445.930 2.767 20 0 IFADRO Cn1nnc2c1CCN(c1nnc(Cl)c3ccc(F)cc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716676 720201899 /nfs/dbraw/zinc/20/18/99/720201899.db2.gz RIDQSSJOYZOOTQ-GOSISDBHSA-N 1 0 445.930 2.767 20 0 IFADRO Cn1nnc2c1CCN(c1ccc(-c3ccsc3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715645 720202755 /nfs/dbraw/zinc/20/27/55/720202755.db2.gz LQBOFXXBUNYJIN-LJQANCHMSA-N 1 0 425.562 2.550 20 0 IFADRO Cc1c(Cl)nc(CC(C)C)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718458 720203530 /nfs/dbraw/zinc/20/35/30/720203530.db2.gz ZLTYHFPKGIKMMR-SFHVURJKSA-N 1 0 448.015 2.982 20 0 IFADRO Cc1c(Cl)nc(C(C)C)nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164717089 720203624 /nfs/dbraw/zinc/20/36/24/720203624.db2.gz SANVBSSBSRUQKU-QGZVFWFLSA-N 1 0 433.988 2.907 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)Oc1ccnc(Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719784 720203774 /nfs/dbraw/zinc/20/37/74/720203774.db2.gz UESAVTRLZXAIHW-MRXNPFEDSA-N 1 0 442.898 2.504 20 0 IFADRO Cc1c(Cl)nc(CC(C)C)nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718457 720204323 /nfs/dbraw/zinc/20/43/23/720204323.db2.gz ZLTYHFPKGIKMMR-GOSISDBHSA-N 1 0 448.015 2.982 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cncc(OCc3ccccc3)n1)CCC2 ZINC001164810326 720215922 /nfs/dbraw/zinc/21/59/22/720215922.db2.gz CDMYNHULAISOER-UHFFFAOYSA-N 1 0 434.544 2.863 20 0 IFADRO Cc1cc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(Cl)n1 ZINC001164813538 720218759 /nfs/dbraw/zinc/21/87/59/720218759.db2.gz NXBFIHTYOFQSSF-UHFFFAOYSA-N 1 0 426.899 2.791 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1 ZINC001164812616 720219077 /nfs/dbraw/zinc/21/90/77/720219077.db2.gz HMSFYMLDBFAWEN-UHFFFAOYSA-N 1 0 435.528 2.829 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)cc1N)CCC2 ZINC001164812732 720225692 /nfs/dbraw/zinc/22/56/92/720225692.db2.gz IRFCZFQWPBGPAW-UHFFFAOYSA-N 1 0 426.899 2.669 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812694 720229527 /nfs/dbraw/zinc/22/95/27/720229527.db2.gz HPKUXKJCLJXNDE-UHFFFAOYSA-N 1 0 435.528 2.829 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(N)c1)CCC2 ZINC001164812878 720234047 /nfs/dbraw/zinc/23/40/47/720234047.db2.gz JRBHESIMAFDBBD-UHFFFAOYSA-N 1 0 426.899 2.669 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccncc3)nc3c1CCC3)CCC2 ZINC001164814018 720242297 /nfs/dbraw/zinc/24/22/97/720242297.db2.gz TUZCCUNOJJWDOW-UHFFFAOYSA-N 1 0 445.571 2.835 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@@H](C)C3)ncn1)CCC2 ZINC001164813940 720242909 /nfs/dbraw/zinc/24/29/09/720242909.db2.gz SJGMJKIMMKLHDF-GOSISDBHSA-N 1 0 425.581 2.520 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccc2C(=O)N2CCCCC2)CC1 ZINC001164828274 720293850 /nfs/dbraw/zinc/29/38/50/720293850.db2.gz ZRULAGKJJVKNNI-FGZHOGPDSA-N 1 0 439.604 2.619 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2C(=O)N2CCCCC2)CC1 ZINC001164828275 720294566 /nfs/dbraw/zinc/29/45/66/720294566.db2.gz ZRULAGKJJVKNNI-VXKWHMMOSA-N 1 0 439.604 2.619 20 0 IFADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1Cl ZINC001164827414 720295453 /nfs/dbraw/zinc/29/54/53/720295453.db2.gz XOZBASVHOOFJLM-RBUKOAKNSA-N 1 0 434.968 2.823 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164820076 720311840 /nfs/dbraw/zinc/31/18/40/720311840.db2.gz GRGYZIZASCXTTI-FCHUYYIVSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(OCc3ccccc3)n2)CC1 ZINC001164831356 720317913 /nfs/dbraw/zinc/31/79/13/720317913.db2.gz RMCVOPWHBUALGQ-FGZHOGPDSA-N 1 0 435.572 2.967 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824769 720327861 /nfs/dbraw/zinc/32/78/61/720327861.db2.gz DHGLMAQKOUUCOV-PMACEKPBSA-N 1 0 427.524 2.689 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(C(=O)NC(C)(C)C)ccn2)CC1 ZINC001164826198 720330091 /nfs/dbraw/zinc/33/00/91/720330091.db2.gz FQGBBCSPWDISOV-UXHICEINSA-N 1 0 427.593 2.521 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C(=O)NC(C)(C)C)ccn2)CC1 ZINC001164826200 720330499 /nfs/dbraw/zinc/33/04/99/720330499.db2.gz FQGBBCSPWDISOV-WOJBJXKFSA-N 1 0 427.593 2.521 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc(OCc3ccccc3)cn2)CC1 ZINC001164833428 720331083 /nfs/dbraw/zinc/33/10/83/720331083.db2.gz XDHLFLJYRFGMPS-FGZHOGPDSA-N 1 0 435.572 2.967 20 0 IFADRO CCOC(=O)c1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164833389 720332555 /nfs/dbraw/zinc/33/25/55/720332555.db2.gz WLAWEEMKSIVDQH-ROUUACIJSA-N 1 0 434.968 2.823 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)COc2ccc(Cl)nn2)CC1 ZINC001164821403 720338796 /nfs/dbraw/zinc/33/87/96/720338796.db2.gz AGBNNFQXVRUAJX-JKSUJKDBSA-N 1 0 443.926 2.509 20 0 IFADRO CC1CCN(c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)CC1 ZINC001164821510 720340133 /nfs/dbraw/zinc/34/01/33/720340133.db2.gz AMOKDQMRYFNWSO-SFTDATJTSA-N 1 0 426.609 2.624 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cncc(N3CCCCCC3)n2)CC1 ZINC001164822745 720347308 /nfs/dbraw/zinc/34/73/08/720347308.db2.gz FDCXNSWVVQYUTR-NHCUHLMSSA-N 1 0 426.609 2.769 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3cccnc3)nc3c2CCC3)CC1 ZINC001164825206 720347376 /nfs/dbraw/zinc/34/73/76/720347376.db2.gz IXORGHSHWJJCNR-DHIUTWEWSA-N 1 0 446.599 2.939 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2ncn3-c2ccccc2)CC1 ZINC001164829409 720348968 /nfs/dbraw/zinc/34/89/68/720348968.db2.gz SDLWGOOVXIBZOI-NHCUHLMSSA-N 1 0 445.571 2.727 20 0 IFADRO COc1cc(OC)c2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164829326 720353854 /nfs/dbraw/zinc/35/38/54/720353854.db2.gz REYFSXQGKAVAHV-UXHICEINSA-N 1 0 439.560 2.559 20 0 IFADRO Cc1nc(CN2CCN(C)C3(CCN(c4cc(N5CCCC5)cc[nH+]4)CC3)C2=O)cs1 ZINC001164820590 720375207 /nfs/dbraw/zinc/37/52/07/720375207.db2.gz PZAGVJSUKKOFEB-UHFFFAOYSA-N 1 0 440.617 2.760 20 0 IFADRO Cc1nc(CO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164823740 720390565 /nfs/dbraw/zinc/39/05/65/720390565.db2.gz PYPMUPSGHHXFAD-WOIUINJBSA-N 1 0 429.590 2.551 20 0 IFADRO CC(=O)Oc1cc2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC(C)=O ZINC001164735068 720414386 /nfs/dbraw/zinc/41/43/86/720414386.db2.gz VMURWDDWAVMUSN-SFTDATJTSA-N 1 0 447.495 2.729 20 0 IFADRO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164734812 720448042 /nfs/dbraw/zinc/44/80/42/720448042.db2.gz UULJQNFOODEWMG-SFTDATJTSA-N 1 0 429.590 2.654 20 0 IFADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840747 720508807 /nfs/dbraw/zinc/50/88/07/720508807.db2.gz XJZATELEEBREJY-JENIJYKNSA-N 1 0 444.605 2.950 20 0 IFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)C1 ZINC001164726698 720514022 /nfs/dbraw/zinc/51/40/22/720514022.db2.gz CUSLWFPZUXNEPI-ZBFHGGJFSA-N 1 0 430.944 2.573 20 0 IFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)C1 ZINC001164726692 720514029 /nfs/dbraw/zinc/51/40/29/720514029.db2.gz CUSLWFPZUXNEPI-GDBMZVCRSA-N 1 0 430.944 2.573 20 0 IFADRO COC(=O)c1ccc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2c1 ZINC001164834689 720517125 /nfs/dbraw/zinc/51/71/25/720517125.db2.gz HCHZXCZVJMZCMU-TUNNFDKTSA-N 1 0 434.544 2.991 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc2c1 ZINC001164834326 720517619 /nfs/dbraw/zinc/51/76/19/720517619.db2.gz FPFZQWDLJFXUMV-TUNNFDKTSA-N 1 0 434.544 2.991 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc2c1 ZINC001164834322 720517913 /nfs/dbraw/zinc/51/79/13/720517913.db2.gz FPFZQWDLJFXUMV-KCZVDYSFSA-N 1 0 434.544 2.991 20 0 IFADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839106 720521103 /nfs/dbraw/zinc/52/11/03/720521103.db2.gz SVRSINCYMGJJDJ-ZHALLVOQSA-N 1 0 437.548 2.709 20 0 IFADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839104 720521224 /nfs/dbraw/zinc/52/12/24/720521224.db2.gz SVRSINCYMGJJDJ-JENIJYKNSA-N 1 0 437.548 2.709 20 0 IFADRO CCOC(=O)c1cc(Cl)nnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837196 720522251 /nfs/dbraw/zinc/52/22/51/720522251.db2.gz OJQNFXDSVMJJJU-XYJFISCASA-N 1 0 432.956 2.881 20 0 IFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c1 ZINC001164733354 720522759 /nfs/dbraw/zinc/52/27/59/720522759.db2.gz JEAJSYFQTUDOTK-CQSZACIVSA-N 1 0 428.924 2.854 20 0 IFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)COC(=O)Nc2cccnc2Cl)C1 ZINC001164734046 720532340 /nfs/dbraw/zinc/53/23/40/720532340.db2.gz GLODEMYQAOMXRW-ZDUSSCGKSA-N 1 0 428.871 2.766 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ncc3N3CCOCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837421 720548589 /nfs/dbraw/zinc/54/85/89/720548589.db2.gz MOXYYVSSCLFYFL-CEXWTWQISA-N 1 0 445.999 2.541 20 0 IFADRO CON(C)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838958 720550654 /nfs/dbraw/zinc/55/06/54/720550654.db2.gz OYPWKMSQMPPOOJ-IPMKNSEASA-N 1 0 446.983 2.943 20 0 IFADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728820 720569830 /nfs/dbraw/zinc/56/98/30/720569830.db2.gz MQMHDMIKJKCINK-UHFFFAOYSA-N 1 0 439.347 2.815 20 0 IFADRO CCOC(=O)c1ncnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839355 720589833 /nfs/dbraw/zinc/58/98/33/720589833.db2.gz NJLLHHAKVKCUMM-GVDBMIGSSA-N 1 0 432.956 2.881 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(N4CCSCC4)ncn3)CC[C@@H]21 ZINC001164838155 720627757 /nfs/dbraw/zinc/62/77/57/720627757.db2.gz KATFJGVPBQVOLK-UFYCRDLUSA-N 1 0 427.622 2.604 20 0 IFADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739700 720681083 /nfs/dbraw/zinc/68/10/83/720681083.db2.gz OYLGJCGKBFSSRI-HUUCEWRRSA-N 1 0 432.862 2.960 20 0 IFADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737570 720709649 /nfs/dbraw/zinc/70/96/49/720709649.db2.gz GGDIYUSUKDZOPF-PMACEKPBSA-N 1 0 445.502 2.751 20 0 IFADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737571 720710718 /nfs/dbraw/zinc/71/07/18/720710718.db2.gz GGDIYUSUKDZOPF-UXHICEINSA-N 1 0 445.502 2.751 20 0 IFADRO CN(C)S(=O)(=O)c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839864 720711374 /nfs/dbraw/zinc/71/13/74/720711374.db2.gz NWBWYHZWPPDIEI-FQEVSTJZSA-N 1 0 444.601 2.592 20 0 IFADRO O=C(c1ccccc1)n1ccc2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164743968 720747634 /nfs/dbraw/zinc/74/76/34/720747634.db2.gz QSGQNRUTAQKBLD-LEWJYISDSA-N 1 0 440.507 2.857 20 0 IFADRO O=C(OCc1ccccc1)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164744045 720774536 /nfs/dbraw/zinc/77/45/36/720774536.db2.gz QXGKQANVOIJGNH-LEWJYISDSA-N 1 0 431.496 2.571 20 0 IFADRO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CSCC2 ZINC001164737660 720815443 /nfs/dbraw/zinc/81/54/43/720815443.db2.gz BIBLUZJRYKVXBY-JTDSTZFVSA-N 1 0 446.024 2.890 20 0 IFADRO Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CCCC2 ZINC001164739835 720817959 /nfs/dbraw/zinc/81/79/59/720817959.db2.gz IZSRWAAQJFGQCL-ABSDTBQOSA-N 1 0 427.984 2.980 20 0 IFADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739584 720820744 /nfs/dbraw/zinc/82/07/44/720820744.db2.gz HYSVMJNPJAHEJZ-JFIYKMOQSA-N 1 0 443.983 2.866 20 0 IFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164739793 720821335 /nfs/dbraw/zinc/82/13/35/720821335.db2.gz IOVQYXRCWLOKLJ-YESZJQIVSA-N 1 0 426.956 2.891 20 0 IFADRO Clc1nnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2c1CCCC2 ZINC001164745132 720825723 /nfs/dbraw/zinc/82/57/23/720825723.db2.gz WNHFPNIBKKRITE-MBOZVWFJSA-N 1 0 427.984 2.980 20 0 IFADRO COc1cc2ncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2cc1OC ZINC001164740656 720826199 /nfs/dbraw/zinc/82/61/99/720826199.db2.gz KIFLVAWLOUZIBP-LVCYWYKZSA-N 1 0 449.559 2.618 20 0 IFADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164747012 720828947 /nfs/dbraw/zinc/82/89/47/720828947.db2.gz ZTONCUZZGMLCLO-PWRODBHTSA-N 1 0 437.592 2.581 20 0 IFADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164747009 720829033 /nfs/dbraw/zinc/82/90/33/720829033.db2.gz ZTONCUZZGMLCLO-PCCBWWKXSA-N 1 0 437.592 2.581 20 0 IFADRO COc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746575 720835219 /nfs/dbraw/zinc/83/52/19/720835219.db2.gz ORSHUYBSVIRTJK-PCCBWWKXSA-N 1 0 446.559 2.518 20 0 IFADRO CCOC(=O)/C=C\c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164747442 720837349 /nfs/dbraw/zinc/83/73/49/720837349.db2.gz QNGICQMMPKGRJL-LNKSBIPMSA-N 1 0 436.560 2.629 20 0 IFADRO Fc1ncccc1-c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749737 720838972 /nfs/dbraw/zinc/83/89/72/720838972.db2.gz WQIQMYAOBLTDAE-LVCYWYKZSA-N 1 0 434.523 2.649 20 0 IFADRO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748358 720840927 /nfs/dbraw/zinc/84/09/27/720840927.db2.gz UKQRHMJULAMOEU-DWDNCELISA-N 1 0 436.560 2.547 20 0 IFADRO COC(OC)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748307 720841061 /nfs/dbraw/zinc/84/10/61/720841061.db2.gz UDTLRACMZKMLPP-IRFCIJBXSA-N 1 0 426.565 2.652 20 0 IFADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c1Cl ZINC001164852572 720843662 /nfs/dbraw/zinc/84/36/62/720843662.db2.gz KYHDCUJWMLVDJT-UKRRQHHQSA-N 1 0 432.348 2.739 20 0 IFADRO C=Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1OC ZINC001164747884 720844450 /nfs/dbraw/zinc/84/44/50/720844450.db2.gz RXRCLKXOAIRRCR-XYJFISCASA-N 1 0 429.956 2.753 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751846 720849901 /nfs/dbraw/zinc/84/99/01/720849901.db2.gz ZICUSRRZVMTEAM-MIZPHKNDSA-N 1 0 446.555 2.992 20 0 IFADRO C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)C1 ZINC001164751871 720853581 /nfs/dbraw/zinc/85/35/81/720853581.db2.gz RGNYYJNOKQKZSL-FVTFTPSCSA-N 1 0 436.608 2.684 20 0 IFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164753579 720853739 /nfs/dbraw/zinc/85/37/39/720853739.db2.gz YEBWEDYVRXZJJD-FSSWDIPSSA-N 1 0 436.608 2.828 20 0 IFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748246 720855235 /nfs/dbraw/zinc/85/52/35/720855235.db2.gz LGYGYEWPYXNHET-PCCBWWKXSA-N 1 0 446.559 2.980 20 0 IFADRO FC(F)(Oc1cnc(Cl)cn1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751241 720860604 /nfs/dbraw/zinc/86/06/04/720860604.db2.gz QYWNWEJKNGCBFH-ARFHVFGLSA-N 1 0 439.898 2.526 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)CC[C@@H]2C1 ZINC001164856912 720863672 /nfs/dbraw/zinc/86/36/72/720863672.db2.gz PXTBZGWPWVJPAU-RHSMWYFYSA-N 1 0 437.903 2.630 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)CC[C@@H]2C1 ZINC001164851549 720867784 /nfs/dbraw/zinc/86/77/84/720867784.db2.gz ATXJZSKIMDSQLV-RDTXWAMCSA-N 1 0 442.894 2.881 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC[C@@H]2C1 ZINC001164860866 720870691 /nfs/dbraw/zinc/87/06/91/720870691.db2.gz WWLPJFPTUOLYKW-OLZOCXBDSA-N 1 0 425.307 2.588 20 0 IFADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c(Cl)n1 ZINC001164854523 720870981 /nfs/dbraw/zinc/87/09/81/720870981.db2.gz KIPYRIPLWPTVBW-WMLDXEAASA-N 1 0 447.910 2.630 20 0 IFADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C3)c2c1C ZINC001164861250 720874195 /nfs/dbraw/zinc/87/41/95/720874195.db2.gz PIDZNGOUHBKDNV-IRXDYDNUSA-N 1 0 448.589 2.658 20 0 IFADRO COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(OC)n1 ZINC001164747317 720879896 /nfs/dbraw/zinc/87/98/96/720879896.db2.gz BDBVAROIAUXURA-RDPSFJRHSA-N 1 0 439.560 2.644 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccncc4)nc4sccc43)CC[C@H]2C1 ZINC001164861500 720885462 /nfs/dbraw/zinc/88/54/62/720885462.db2.gz PPUGDPNHOUAVMZ-HKUYNNGSSA-N 1 0 425.558 2.927 20 0 IFADRO Cc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C(N)=O ZINC001164754440 720885501 /nfs/dbraw/zinc/88/55/01/720885501.db2.gz IXHWTOJFNISFDN-OFVILXPXSA-N 1 0 435.572 2.639 20 0 IFADRO Cn1cnc2cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164758154 720886492 /nfs/dbraw/zinc/88/64/92/720886492.db2.gz XEIJVDVADWGJCK-YKSBVNFPSA-N 1 0 433.560 2.513 20 0 IFADRO COc1ncc(F)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752747 720886815 /nfs/dbraw/zinc/88/68/15/720886815.db2.gz FYEFVONPUCSXHR-WMZHIEFXSA-N 1 0 427.524 2.774 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)CC[C@H]2C1 ZINC001164855092 720887588 /nfs/dbraw/zinc/88/75/88/720887588.db2.gz GILLVJNGEYMPOJ-ICSRJNTNSA-N 1 0 432.952 2.883 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)CC[C@@H]2C1 ZINC001164856706 720890235 /nfs/dbraw/zinc/89/02/35/720890235.db2.gz JAZXQNKIFYREFJ-GDBMZVCRSA-N 1 0 448.898 2.545 20 0 IFADRO CCNC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755660 720897492 /nfs/dbraw/zinc/89/74/92/720897492.db2.gz MJQSPCBHUYNRFD-NVQXNPDNSA-N 1 0 449.599 2.981 20 0 IFADRO CNC(=O)c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758502 720898133 /nfs/dbraw/zinc/89/81/33/720898133.db2.gz YRWJFWASGKLTBY-SQJMNOBHSA-N 1 0 435.572 2.591 20 0 IFADRO CNC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753432 720898902 /nfs/dbraw/zinc/89/89/02/720898902.db2.gz GUJOVIIRGGFAPT-WIOPSUGQSA-N 1 0 435.572 2.591 20 0 IFADRO CCNC(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164753136 720909153 /nfs/dbraw/zinc/90/91/53/720909153.db2.gz QIHXWKILQJTASY-JYFHCDHNSA-N 1 0 449.599 2.981 20 0 IFADRO CCn1cnc2c1ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753639 720912561 /nfs/dbraw/zinc/91/25/61/720912561.db2.gz RUEZXPGVICBIGD-BWKNWUBXSA-N 1 0 447.587 2.996 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164752401 720946266 /nfs/dbraw/zinc/94/62/66/720946266.db2.gz YOMYMNRDBSUKNT-UHFFFAOYSA-N 1 0 434.274 2.775 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164752417 720947035 /nfs/dbraw/zinc/94/70/35/720947035.db2.gz ZKCHQLOOUXJWIZ-UHFFFAOYSA-N 1 0 434.274 2.775 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164748765 720947063 /nfs/dbraw/zinc/94/70/63/720947063.db2.gz CNUAWFZJHUAXQO-UHFFFAOYSA-N 1 0 434.274 2.775 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164749475 720947840 /nfs/dbraw/zinc/94/78/40/720947840.db2.gz GSVUXVHMCQBKQJ-UHFFFAOYSA-N 1 0 434.274 2.775 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc3c(Cl)cccc31)CC2 ZINC001164752281 720952200 /nfs/dbraw/zinc/95/22/00/720952200.db2.gz XFJWVRSOFIIHJQ-UHFFFAOYSA-N 1 0 435.315 2.779 20 0 IFADRO COc1ccc2c(c1)nc(Cl)cc2N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164751724 720954765 /nfs/dbraw/zinc/95/47/65/720954765.db2.gz SNLBGESWFUNXQO-UHFFFAOYSA-N 1 0 429.908 2.739 20 0 IFADRO CCc1nc2sc3c(c2c(N2CCc4onc(C(=O)NCC[NH+](C)C)c4C2)n1)CCC3 ZINC001164753416 720963003 /nfs/dbraw/zinc/96/30/03/720963003.db2.gz DULNJIHSBZQOMT-UHFFFAOYSA-N 1 0 440.573 2.585 20 0 IFADRO COc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(N2CCCCCC2)n1 ZINC001164856313 720999918 /nfs/dbraw/zinc/99/99/18/720999918.db2.gz BHBWSFCWASSEKA-QGZVFWFLSA-N 1 0 428.585 2.879 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)[C@H]2C ZINC001164864213 721006872 /nfs/dbraw/zinc/00/68/72/721006872.db2.gz ZTGDJTIFEDRASC-INIZCTEOSA-N 1 0 439.564 2.530 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1S(=O)(=O)N1CCCCC1)[C@H]2C ZINC001164864316 721011285 /nfs/dbraw/zinc/01/12/85/721011285.db2.gz XGHDNMIKOFGWLD-SFHVURJKSA-N 1 0 446.621 2.874 20 0 IFADRO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]21 ZINC001164758002 721023795 /nfs/dbraw/zinc/02/37/95/721023795.db2.gz HLULYRRMUWVDCD-DNVJHFABSA-N 1 0 435.572 2.620 20 0 IFADRO Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cn1 ZINC001164762322 721035093 /nfs/dbraw/zinc/03/50/93/721035093.db2.gz HSZMPIGQLUEARM-ZEQRLZLVSA-N 1 0 442.567 2.867 20 0 IFADRO CCOC(=O)c1sc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164768503 721073463 /nfs/dbraw/zinc/07/34/63/721073463.db2.gz NMSPGLHFRWCKCK-DLBZAZTESA-N 1 0 440.573 2.868 20 0 IFADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164769492 721097380 /nfs/dbraw/zinc/09/73/80/721097380.db2.gz ORNISCUMFJDIMQ-LSDHHAIUSA-N 1 0 439.894 2.758 20 0 IFADRO COC(=O)c1cc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cnc1Cl ZINC001164773761 721107452 /nfs/dbraw/zinc/10/74/52/721107452.db2.gz YVODZRZKLYVCEU-LSDHHAIUSA-N 1 0 439.894 2.758 20 0 IFADRO COc1cc2nc(Cl)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164771397 721108203 /nfs/dbraw/zinc/10/82/03/721108203.db2.gz SNQPUKCBPBZMEI-JKSUJKDBSA-N 1 0 442.951 2.992 20 0 IFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164764873 721111732 /nfs/dbraw/zinc/11/17/32/721111732.db2.gz ILCFCHSDVLTASQ-CABCVRRESA-N 1 0 439.894 2.758 20 0 IFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762063 721123165 /nfs/dbraw/zinc/12/31/65/721123165.db2.gz BKTPRQZSEXJLCF-GJZGRUSLSA-N 1 0 439.894 2.758 20 0 IFADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)n1 ZINC001164764187 721123661 /nfs/dbraw/zinc/12/36/61/721123661.db2.gz HHQKPBBKOVOAKC-GJZGRUSLSA-N 1 0 439.894 2.758 20 0 IFADRO CCOC(Cc1c(Cl)ncnc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1)OCC ZINC001164765633 721135020 /nfs/dbraw/zinc/13/50/20/721135020.db2.gz JUBVMCADSOQTPZ-MSOLQXFVSA-N 1 0 448.999 2.763 20 0 IFADRO CCOC(Cc1c(Cl)ncnc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1)OCC ZINC001164765639 721135058 /nfs/dbraw/zinc/13/50/58/721135058.db2.gz JUBVMCADSOQTPZ-ZWKOTPCHSA-N 1 0 448.999 2.763 20 0 IFADRO Cc1cc(NC(=O)c2cccnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)no1 ZINC001164875517 721138070 /nfs/dbraw/zinc/13/80/70/721138070.db2.gz LRXBHPRUYABFAC-RBUKOAKNSA-N 1 0 434.500 2.505 20 0 IFADRO Cc1cc(NC(=O)c2cccnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)no1 ZINC001164875516 721139090 /nfs/dbraw/zinc/13/90/90/721139090.db2.gz LRXBHPRUYABFAC-OALUTQOASA-N 1 0 434.500 2.505 20 0 IFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2)C1 ZINC001164880976 721140565 /nfs/dbraw/zinc/14/05/65/721140565.db2.gz YMLSUBKEQVDMNU-PTUXOGIPSA-N 1 0 435.572 2.828 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164761701 721151505 /nfs/dbraw/zinc/15/15/05/721151505.db2.gz AKONXJLPDYOCNM-WMZOPIPTSA-N 1 0 430.984 2.955 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C[C@@H]3C2)cn1 ZINC001164768133 721151816 /nfs/dbraw/zinc/15/18/16/721151816.db2.gz NJDBSSYTDQALLB-SJORKVTESA-N 1 0 430.984 2.955 20 0 IFADRO CCOC(=O)c1cc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2s1 ZINC001164769427 721167475 /nfs/dbraw/zinc/16/74/75/721167475.db2.gz MHUHMUPZKUFGBV-JKSUJKDBSA-N 1 0 426.546 2.560 20 0 IFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164772352 721194298 /nfs/dbraw/zinc/19/42/98/721194298.db2.gz SRDJXAITMSSVKJ-HUUCEWRRSA-N 1 0 439.894 2.758 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CCc5ccccc54)C[C@@H]3C2)cn1 ZINC001164771477 721195012 /nfs/dbraw/zinc/19/50/12/721195012.db2.gz QIPQNPAYZCPBCI-YADHBBJMSA-N 1 0 442.567 2.976 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C[C@@H]3C2)cn1 ZINC001164764945 721216102 /nfs/dbraw/zinc/21/61/02/721216102.db2.gz HHEBUCSYFJRDML-RTWAWAEBSA-N 1 0 446.555 2.997 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)C1 ZINC001164870440 721265445 /nfs/dbraw/zinc/26/54/45/721265445.db2.gz YRCJPEFRZCEGTG-UHFFFAOYSA-N 1 0 443.979 2.804 20 0 IFADRO CCCCOc1cnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c(Cl)c1 ZINC001164875499 721282214 /nfs/dbraw/zinc/28/22/14/721282214.db2.gz WOCJUFBUNXDJGY-UHFFFAOYSA-N 1 0 439.000 2.921 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncccc3OCc3ccccc3)CC2)C1 ZINC001164873446 721283743 /nfs/dbraw/zinc/28/37/43/721283743.db2.gz MNVMWFSEHOZHJQ-UHFFFAOYSA-N 1 0 438.572 2.668 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CCO[C@]4(CCC[C@@H]4COCc4ccncc4)C3)n2)CC1 ZINC001164779612 721385431 /nfs/dbraw/zinc/38/54/31/721385431.db2.gz BEKNRPIPPGZKIH-RCZVLFRGSA-N 1 0 437.588 2.821 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CCO[C@]4(CCC[C@H]4COCc4ccncc4)C3)n2)CC1 ZINC001164779614 721385488 /nfs/dbraw/zinc/38/54/88/721385488.db2.gz BEKNRPIPPGZKIH-WIOPSUGQSA-N 1 0 437.588 2.821 20 0 IFADRO CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1Cl ZINC001164889214 721387186 /nfs/dbraw/zinc/38/71/86/721387186.db2.gz LAHQUPLGDZSYCT-VGOFRKELSA-N 1 0 436.984 2.677 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cncc(OCc5ccccc5)n4)C3)O2)CC1 ZINC001164884372 721393782 /nfs/dbraw/zinc/39/37/82/721393782.db2.gz AMTCVCODNXZGBS-RCZVLFRGSA-N 1 0 437.588 2.821 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)Oc4cccnc4Cl)C3)O2)CC1 ZINC001164890445 721395285 /nfs/dbraw/zinc/39/52/85/721395285.db2.gz NIZFNNFZENVBLV-VQIMIIECSA-N 1 0 430.927 2.925 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4COC5(C)C)C3)O2)CC1 ZINC001164892923 721398043 /nfs/dbraw/zinc/39/80/43/721398043.db2.gz URVOLAQIMFZUKO-AOMKIAJQSA-N 1 0 436.000 2.661 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164887409 721399457 /nfs/dbraw/zinc/39/94/57/721399457.db2.gz HZQLNQCNKFPMEN-MJGOQNOKSA-N 1 0 430.927 2.925 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164891873 721399690 /nfs/dbraw/zinc/39/96/90/721399690.db2.gz RBXMGWODECLBOE-VQIMIIECSA-N 1 0 430.927 2.925 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2[nH]1 ZINC001164889454 721403768 /nfs/dbraw/zinc/40/37/68/721403768.db2.gz QQEGXFVMWKGJDJ-NTKDMRAZSA-N 1 0 441.576 2.505 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883498 721422599 /nfs/dbraw/zinc/42/25/99/721422599.db2.gz ADSPDSQIGUXLGQ-NLFFAJNJSA-N 1 0 438.572 2.787 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896226 721425534 /nfs/dbraw/zinc/42/55/34/721425534.db2.gz RFVMKPWLQDSTTQ-VGSWGCGISA-N 1 0 448.015 2.826 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894398 721437844 /nfs/dbraw/zinc/43/78/44/721437844.db2.gz LXGJWWQGGBCJJH-NBGIEHNGSA-N 1 0 438.572 2.787 20 0 IFADRO COc1ccccc1-c1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164899803 721438005 /nfs/dbraw/zinc/43/80/05/721438005.db2.gz ZDZZITUNRVGEAX-CJFMBICVSA-N 1 0 437.588 2.918 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5cccnc5)nc5c4CCC5)C3)O2)CC1 ZINC001164894951 721442853 /nfs/dbraw/zinc/44/28/53/721442853.db2.gz NSSIZGQFGCXJKJ-RLWLMLJZSA-N 1 0 448.615 2.793 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164890408 721447869 /nfs/dbraw/zinc/44/78/69/721447869.db2.gz RMPFMSBKDNMNDQ-VGSWGCGISA-N 1 0 436.984 2.595 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc(N(C)C)n1)CC2 ZINC001164790571 721450098 /nfs/dbraw/zinc/45/00/98/721450098.db2.gz ZOEAHTRVCTVOJB-GOSISDBHSA-N 1 0 438.016 2.930 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(N)=O)cc(Cl)n1)CC2 ZINC001164785275 721451632 /nfs/dbraw/zinc/45/16/32/721451632.db2.gz ICQIFOBDSCJRBV-SFHVURJKSA-N 1 0 436.984 2.568 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)ncc1C(N)=O)CC2 ZINC001164785941 721452205 /nfs/dbraw/zinc/45/22/05/721452205.db2.gz JFRSGOZUTRYHSI-KRWDZBQOSA-N 1 0 436.984 2.568 20 0 IFADRO CCOC(=O)Cc1cccnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164785976 721453203 /nfs/dbraw/zinc/45/32/03/721453203.db2.gz KQEJRQKYQGXNNG-JOCHJYFZSA-N 1 0 445.604 2.921 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1C(N)=O)CC2 ZINC001164785649 721460561 /nfs/dbraw/zinc/46/05/61/721460561.db2.gz MIWKGOBHHVZNJL-KRWDZBQOSA-N 1 0 436.984 2.568 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)NC3CC3)cn1)CC2 ZINC001164790274 721460693 /nfs/dbraw/zinc/46/06/93/721460693.db2.gz ZZCFNZSDDZULLD-JOCHJYFZSA-N 1 0 442.604 2.708 20 0 IFADRO CCOC(=O)c1ncnc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1C ZINC001164784840 721461529 /nfs/dbraw/zinc/46/15/29/721461529.db2.gz KMXMLBWAMULQGT-FQEVSTJZSA-N 1 0 446.592 2.696 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OCC3CC3)ncn1)CC2 ZINC001164782838 721461755 /nfs/dbraw/zinc/46/17/55/721461755.db2.gz CVSNGDLEYHCIKJ-NRFANRHFSA-N 1 0 430.593 2.999 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(C(=O)OC(C)(C)C)cc2Cl)CC3)CC1 ZINC001164796570 721521574 /nfs/dbraw/zinc/52/15/74/721521574.db2.gz ZXQHHLFKCIDGIV-UHFFFAOYSA-N 1 0 446.983 2.654 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC3)CC1 ZINC001164796439 721521911 /nfs/dbraw/zinc/52/19/11/721521911.db2.gz YQGJNWQVDNBXJK-UHFFFAOYSA-N 1 0 447.317 2.777 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(Cl)(Cl)Oc2ccc(Cl)nc2)CC3)CC1 ZINC001164795197 721522610 /nfs/dbraw/zinc/52/26/10/721522610.db2.gz LUHGUTWMQFJSCF-UHFFFAOYSA-N 1 0 445.782 2.662 20 0 IFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc4c(cc32)OCCO4)[C@H]2CCCO[C@H]12 ZINC001164806634 721536304 /nfs/dbraw/zinc/53/63/04/721536304.db2.gz PKFUJWOSIZDSCK-MZKRTTBSSA-N 1 0 433.512 2.664 20 0 IFADRO CON(C)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911487 721536957 /nfs/dbraw/zinc/53/69/57/721536957.db2.gz WVNQAFFWEAGANS-FUHWJXTLSA-N 1 0 434.899 2.849 20 0 IFADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164912019 721548449 /nfs/dbraw/zinc/54/84/49/721548449.db2.gz YDGYEFDDQBZXAV-FUHWJXTLSA-N 1 0 439.491 2.626 20 0 IFADRO COc1cccc(CN2C[C@H]3CCN(c4cc(C[NH+](C)C)ccn4)CC[C@@H]3S2(=O)=O)c1 ZINC001164806810 721592839 /nfs/dbraw/zinc/59/28/39/721592839.db2.gz NALYNIDFUBZFDV-IRLDBZIGSA-N 1 0 444.601 2.582 20 0 IFADRO Cc1cccc(CN2CCO[C@@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@H]3C2=O)n1 ZINC001164802696 721603002 /nfs/dbraw/zinc/60/30/02/721603002.db2.gz SUVSDEHKOJKPOI-DHIUTWEWSA-N 1 0 435.572 2.633 20 0 IFADRO CON(C)C(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907299 721716878 /nfs/dbraw/zinc/71/68/78/721716878.db2.gz QNNKSPFHLZNMGO-NRFANRHFSA-N 1 0 431.487 2.848 20 0 IFADRO O=c1ccccn1-c1nccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164911852 721726985 /nfs/dbraw/zinc/72/69/85/721726985.db2.gz LHJMTSSDSUUYJI-QFIPXVFZSA-N 1 0 438.482 2.760 20 0 IFADRO COc1cc2nc(Cl)nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2cc1OC ZINC001165010662 721734471 /nfs/dbraw/zinc/73/44/71/721734471.db2.gz JETHZVCGXLDGFH-UHFFFAOYSA-N 1 0 447.967 2.823 20 0 IFADRO CNC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912228 721737025 /nfs/dbraw/zinc/73/70/25/721737025.db2.gz NGUXWACABNJGDQ-LJQANCHMSA-N 1 0 436.894 2.622 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncccc2C(=O)N2CCc3ccccc32)CC1 ZINC001165011621 721744496 /nfs/dbraw/zinc/74/44/96/721744496.db2.gz ZPRCSETWKVPRQU-UHFFFAOYSA-N 1 0 447.583 2.808 20 0 IFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908827 721747433 /nfs/dbraw/zinc/74/74/33/721747433.db2.gz LEGIZYNLMYPINE-UHFFFAOYSA-N 1 0 432.484 2.879 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1 ZINC001165024497 721778334 /nfs/dbraw/zinc/77/83/34/721778334.db2.gz XPRDJOZJIXJWEU-OTNCWRBYSA-N 1 0 442.604 2.863 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)N4CCOCC4)cn3)C[C@H]21 ZINC001165019614 721802102 /nfs/dbraw/zinc/80/21/02/721802102.db2.gz DIXNTXJKCBZONP-YMPZKCBVSA-N 1 0 435.572 2.686 20 0 IFADRO CCOC(=O)c1cnc(OC)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027100 721810057 /nfs/dbraw/zinc/81/00/57/721810057.db2.gz SFEIHMVSJMYDQK-DBVUQKKJSA-N 1 0 425.533 2.794 20 0 IFADRO CN1c2cnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001165027472 721813651 /nfs/dbraw/zinc/81/36/51/721813651.db2.gz UVKMGIVNPQAUOC-VMXMFDLUSA-N 1 0 447.587 2.554 20 0 IFADRO COC(OC)c1c(CO)ccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025250 721819782 /nfs/dbraw/zinc/81/97/82/721819782.db2.gz MBELFSBULVGQSI-YYWHXJBOSA-N 1 0 426.561 2.997 20 0 IFADRO COC(=O)c1cc2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc2n1C ZINC001165029067 721822312 /nfs/dbraw/zinc/82/23/12/721822312.db2.gz WWBODHOSPCCLMP-FFZOFVMBSA-N 1 0 434.544 2.887 20 0 IFADRO Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(C[NH+]5CCCC5)cn4)CCO3)C2)cs1 ZINC001164923006 721831888 /nfs/dbraw/zinc/83/18/88/721831888.db2.gz QFIPUGQJIFXHLR-QHCPKHFHSA-N 1 0 443.617 2.550 20 0 IFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1ncn2Cc1ccccc1 ZINC001164925784 721856103 /nfs/dbraw/zinc/85/61/03/721856103.db2.gz FZWIMGVPAQSWCC-ZWKOTPCHSA-N 1 0 425.968 2.743 20 0 IFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncccc1C(=O)NCCSCc1ccco1 ZINC001164923178 721870595 /nfs/dbraw/zinc/87/05/95/721870595.db2.gz JAQTZGMQMJPDSP-SFTDATJTSA-N 1 0 443.617 2.552 20 0 IFADRO COC(=O)c1nc2cnccc2c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939600 721928449 /nfs/dbraw/zinc/92/84/49/721928449.db2.gz MYDLQJQRAPHFQE-UHFFFAOYSA-N 1 0 447.539 2.991 20 0 IFADRO CNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164942670 721933751 /nfs/dbraw/zinc/93/37/51/721933751.db2.gz MLXDHKINONSJDN-UHFFFAOYSA-N 1 0 429.952 2.669 20 0 IFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[NH+](CCOc3ccccc3)CC2)n1C ZINC001165045579 721958987 /nfs/dbraw/zinc/95/89/87/721958987.db2.gz ZPXJAZXYZXTCDR-UHFFFAOYSA-N 1 0 429.908 2.609 20 0 IFADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164947684 721977013 /nfs/dbraw/zinc/97/70/13/721977013.db2.gz QKWDFRNJYVMLRL-UHFFFAOYSA-N 1 0 449.599 2.527 20 0 IFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ncnc5cc6c(cc54)OCCO6)CC3)C2)ccn1 ZINC001164958863 722053338 /nfs/dbraw/zinc/05/33/38/722053338.db2.gz HBWLNLUBCSUHSL-UHFFFAOYSA-N 1 0 447.539 2.915 20 0 IFADRO COC(=O)c1ccc2cnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2c1 ZINC001164958940 722053767 /nfs/dbraw/zinc/05/37/67/722053767.db2.gz IAMPEDCRKRGJGT-UHFFFAOYSA-N 1 0 447.539 2.930 20 0 IFADRO COC(=O)c1cc(F)c(C)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963102 722056286 /nfs/dbraw/zinc/05/62/86/722056286.db2.gz HFQPZLOXSLFGHF-UHFFFAOYSA-N 1 0 428.508 2.830 20 0 IFADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164966541 722074226 /nfs/dbraw/zinc/07/42/26/722074226.db2.gz ADELCRCLVGWZQU-IMMRNYSZSA-N 1 0 442.560 2.552 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@@H]32)nc1 ZINC001164979502 722093714 /nfs/dbraw/zinc/09/37/14/722093714.db2.gz KMJBLKSJSWBATO-CUXKYVRBSA-N 1 0 438.576 2.528 20 0 IFADRO O=C(c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1)N1CCCCC1 ZINC001164983399 722102288 /nfs/dbraw/zinc/10/22/88/722102288.db2.gz PXIHCQVXRFVDKN-GGAORHGYSA-N 1 0 435.572 2.830 20 0 IFADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985796 722102980 /nfs/dbraw/zinc/10/29/80/722102980.db2.gz WUEWLRBZNGPYNL-SIKLNZKXSA-N 1 0 447.539 2.929 20 0 IFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975443 722104171 /nfs/dbraw/zinc/10/41/71/722104171.db2.gz BQEQBNFRHRGDKH-SIKLNZKXSA-N 1 0 433.512 2.539 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc2c1 ZINC001164975517 722104555 /nfs/dbraw/zinc/10/45/55/722104555.db2.gz CDJOQRMFBNHJJS-DENIHFKCSA-N 1 0 433.512 2.539 20 0 IFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[C@@H]3C2)c1 ZINC001164974707 722105290 /nfs/dbraw/zinc/10/52/90/722105290.db2.gz BLSDNKYVYNGQMQ-JPYJTQIMSA-N 1 0 433.512 2.523 20 0 IFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[C@H]3C2)c1 ZINC001164974704 722105382 /nfs/dbraw/zinc/10/53/82/722105382.db2.gz BLSDNKYVYNGQMQ-FDDCHVKYSA-N 1 0 433.512 2.523 20 0 IFADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977587 722127293 /nfs/dbraw/zinc/12/72/93/722127293.db2.gz NPLWRPZRVMBSNL-YADHBBJMSA-N 1 0 445.571 2.727 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH]c-2n1 ZINC001164983365 722130431 /nfs/dbraw/zinc/13/04/31/722130431.db2.gz UQZAFJLUSCOLBN-FPOVZHCZSA-N 1 0 435.528 2.862 20 0 IFADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972843 722134016 /nfs/dbraw/zinc/13/40/16/722134016.db2.gz AXRNLMWSLXOKEI-KEUSYYRJSA-N 1 0 447.539 2.871 20 0 IFADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)no1 ZINC001164982651 722138957 /nfs/dbraw/zinc/13/89/57/722138957.db2.gz RVLUKPRZHUAMRZ-PZJWPPBQSA-N 1 0 448.527 2.753 20 0 IFADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975086 722142475 /nfs/dbraw/zinc/14/24/75/722142475.db2.gz DVLCHMCKQZANRC-CABCVRRESA-N 1 0 449.893 2.625 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164977862 722153882 /nfs/dbraw/zinc/15/38/82/722153882.db2.gz YXJUXSACJWAZOM-YLJYHZDGSA-N 1 0 430.936 2.952 20 0 IFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976157 722157452 /nfs/dbraw/zinc/15/74/52/722157452.db2.gz UIURIVQCQAQPDX-KBAYOESNSA-N 1 0 445.951 2.529 20 0 IFADRO Cc1nc(CN2CCO[C@H]3CCN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]32)cs1 ZINC001164987154 722184255 /nfs/dbraw/zinc/18/42/55/722184255.db2.gz GVXRPSGMTNBXRG-RTWAWAEBSA-N 1 0 428.606 2.578 20 0 IFADRO CN1c2cnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2N2CCC[C@H]2C1=O ZINC001164996342 722200490 /nfs/dbraw/zinc/20/04/90/722200490.db2.gz UCUJVCYKJXKMMR-YADARESESA-N 1 0 436.535 2.806 20 0 IFADRO CCN(CC)c1ccnc([C@H]2COCCN2c2cccc(OCC[NH+]3CCCC3)n2)n1 ZINC001164998836 722227165 /nfs/dbraw/zinc/22/71/65/722227165.db2.gz FQAZJVFSMHPWAU-LJQANCHMSA-N 1 0 426.565 2.770 20 0 IFADRO O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1cccc(OCC[NH+]3CCCC3)n1)CCO2 ZINC001165000679 722249626 /nfs/dbraw/zinc/24/96/26/722249626.db2.gz JCPTVDAPGIAMIK-XMMPIXPASA-N 1 0 440.544 2.661 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)COc1ccnc(Cl)c1)CCC2 ZINC001165000604 722253081 /nfs/dbraw/zinc/25/30/81/722253081.db2.gz UBYPADQHPFBHRS-UHFFFAOYSA-N 1 0 429.899 2.887 20 0 IFADRO CCOC(=O)c1cc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1C ZINC001165001508 722253458 /nfs/dbraw/zinc/25/34/58/722253458.db2.gz AHTKFJDLFBSIBJ-UHFFFAOYSA-N 1 0 435.956 2.905 20 0 IFADRO COc1cc2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2cc1OC ZINC001165002532 722254558 /nfs/dbraw/zinc/25/45/58/722254558.db2.gz OZPWSHXNLQIORE-UHFFFAOYSA-N 1 0 425.533 2.937 20 0 IFADRO CC(C)c1noc(-c2ccnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2)n1 ZINC001165004310 722257273 /nfs/dbraw/zinc/25/72/73/722257273.db2.gz QAEGBTIJOHPCJF-UHFFFAOYSA-N 1 0 425.537 2.940 20 0 IFADRO COc1ccc([C@@H]2[C@@H](C(=O)NCC[NH+](C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004563169 132272303 /nfs/dbraw/zinc/27/23/03/132272303.db2.gz SSKATIMLJVUIDA-JTHBVZDNSA-N 1 0 425.529 2.866 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@H]5[NH2+]CCO[C@H]5C4)c23)C1 ZINC001164389717 718825013 /nfs/dbraw/zinc/82/50/13/718825013.db2.gz JKNBRPBAASLVDY-NXHRZFHOSA-N 1 0 427.618 2.979 20 0 IFADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCN5CC[NH2+]C[C@H]5C4)c23)C1 ZINC001164408040 718839962 /nfs/dbraw/zinc/83/99/62/718839962.db2.gz XULXUAPRSDGFKA-IRXDYDNUSA-N 1 0 426.634 2.506 20 0 IFADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c2ccccc21 ZINC001164410258 718852279 /nfs/dbraw/zinc/85/22/79/718852279.db2.gz ZOEQRSANEJUIRF-XCLFUZPHSA-N 1 0 433.890 2.852 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@@H]5C[NH2+]C[C@]5(CO)C4)c32)C1 ZINC001164410290 718852990 /nfs/dbraw/zinc/85/29/90/718852990.db2.gz ZVKYRWZBVATIGU-XVTZWQNCSA-N 1 0 441.645 2.820 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164435045 718969084 /nfs/dbraw/zinc/96/90/84/718969084.db2.gz YAUSKUOZXZKMOG-ZIAGYGMSSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164619912 719010347 /nfs/dbraw/zinc/01/03/47/719010347.db2.gz XNAPPYWCPBVYHY-KUHUBIRLSA-N 1 0 444.910 2.747 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(OC)nc(Cl)n1)C2 ZINC001164614715 719011759 /nfs/dbraw/zinc/01/17/59/719011759.db2.gz GEZPCIOAFMNSRJ-ORAYPTAESA-N 1 0 444.910 2.833 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(OC)nc(Cl)n1)C2 ZINC001164614719 719011869 /nfs/dbraw/zinc/01/18/69/719011869.db2.gz GEZPCIOAFMNSRJ-YJYMSZOUSA-N 1 0 444.910 2.833 20 0 IFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(CN(CC)CC)nc2sc(C)c(C)c21 ZINC001164619354 719017351 /nfs/dbraw/zinc/01/73/51/719017351.db2.gz VVUXUGORJYHBBC-YESZJQIVSA-N 1 0 431.606 2.880 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4cc(C(=O)OC)ccc4n3)CC2)CC1 ZINC001164614748 719022846 /nfs/dbraw/zinc/02/28/46/719022846.db2.gz XPIIBCXZRRHPMW-UHFFFAOYSA-N 1 0 426.517 2.660 20 0 IFADRO O=S(=O)(c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCCC1 ZINC001164624345 719088266 /nfs/dbraw/zinc/08/82/66/719088266.db2.gz FKLPBSUHUVXIMR-RTWAWAEBSA-N 1 0 426.586 2.967 20 0 IFADRO [NH3+]C1([C@@H]2CN([C@@]3(F)CN(C4CCCC4)c4nc(Cl)ncc4NC3=O)C[C@@H]2CF)CC1 ZINC001164619476 719121455 /nfs/dbraw/zinc/12/14/55/719121455.db2.gz DMPPJTQNEIFMCT-HKMRUAMVSA-N 1 0 440.926 2.506 20 0 IFADRO COC(=O)c1cc2ccc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164639381 719211045 /nfs/dbraw/zinc/21/10/45/719211045.db2.gz PYVFBHFRJCIWGL-HZPDHXFCSA-N 1 0 442.541 2.589 20 0 IFADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c2c1C ZINC001164637229 719237524 /nfs/dbraw/zinc/23/75/24/719237524.db2.gz UVXMYZZHIDSCFM-GJZGRUSLSA-N 1 0 447.605 2.537 20 0 IFADRO O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1 ZINC001164651039 719322356 /nfs/dbraw/zinc/32/23/56/719322356.db2.gz FKEZJPGQUKUVHU-DEOSSOPVSA-N 1 0 437.519 2.858 20 0 IFADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164660557 719351923 /nfs/dbraw/zinc/35/19/23/719351923.db2.gz VGCVCSWYTAHCDJ-UHFFFAOYSA-N 1 0 429.572 2.817 20 0 IFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](OCC(=O)NC)CO3)CC2)nc1 ZINC001164677488 719554817 /nfs/dbraw/zinc/55/48/17/719554817.db2.gz OHIMZPQEOALTGK-RTWAWAEBSA-N 1 0 430.593 2.909 20 0 IFADRO CC(C)N(C)Cc1nn(-c2nccc(-c3cnc(N4CCCCC4)nc3)n2)c2c1CC[NH2+]C2 ZINC001164683676 719627889 /nfs/dbraw/zinc/62/78/89/719627889.db2.gz UPWXOABYGYJHHF-UHFFFAOYSA-N 1 0 447.591 2.596 20 0 IFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)nc(N)n3)CC2)c2ccccc21 ZINC001164680661 719654604 /nfs/dbraw/zinc/65/46/04/719654604.db2.gz HDLKBQOMOPVJEM-MRXNPFEDSA-N 1 0 442.995 2.806 20 0 IFADRO CN(C)c1nccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680993 719664962 /nfs/dbraw/zinc/66/49/62/719664962.db2.gz KVEFBALQHWWUQL-LJQANCHMSA-N 1 0 436.604 2.636 20 0 IFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc4c(n3)CCCN4)CC2)c2ccccc21 ZINC001164681914 719668142 /nfs/dbraw/zinc/66/81/42/719668142.db2.gz OGYHCUHWVUAASR-IBGZPJMESA-N 1 0 448.615 2.928 20 0 IFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@H]2OCCN(c3ncccn3)[C@@H]2C1 ZINC001164691698 719802359 /nfs/dbraw/zinc/80/23/59/719802359.db2.gz IYBLMJZYNAWFRD-QZTJIDSGSA-N 1 0 448.905 2.541 20 0 IFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(S(N)(=O)=O)cc2Cl)CC3)cs1 ZINC001164692572 719807216 /nfs/dbraw/zinc/80/72/16/719807216.db2.gz JPKJLAWWISQICY-UHFFFAOYSA-N 1 0 442.010 2.782 20 0 IFADRO Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cn1 ZINC001164709382 720077818 /nfs/dbraw/zinc/07/78/18/720077818.db2.gz DLOGIWNDLATETO-ROUUACIJSA-N 1 0 448.905 2.774 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccsc3c(N3CCOCC3)n1)C2 ZINC001164810377 720085114 /nfs/dbraw/zinc/08/51/14/720085114.db2.gz LJVJURLHJUNBTM-FDDCHVKYSA-N 1 0 443.617 2.713 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)C2 ZINC001164813668 720085327 /nfs/dbraw/zinc/08/53/27/720085327.db2.gz UYUKEDMPUJHNJS-HNAYVOBHSA-N 1 0 429.943 2.926 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164711205 720094956 /nfs/dbraw/zinc/09/49/56/720094956.db2.gz PIERCXIEZJQLDE-KRWDZBQOSA-N 1 0 445.951 2.819 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1F)CC2 ZINC001164719522 720113077 /nfs/dbraw/zinc/11/30/77/720113077.db2.gz YBDRVNGLELEMDP-LJQANCHMSA-N 1 0 428.508 2.910 20 0 IFADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1C ZINC001164718584 720115070 /nfs/dbraw/zinc/11/50/70/720115070.db2.gz STRFLOLLMQERBM-FQEVSTJZSA-N 1 0 439.560 2.864 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)nc1C(=O)OC)CC2 ZINC001164719667 720120174 /nfs/dbraw/zinc/12/01/74/720120174.db2.gz ZUGUAMAGRZHRAD-KRWDZBQOSA-N 1 0 445.951 2.819 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1[C@H](C)CC(=O)N3)CC2 ZINC001164718640 720120809 /nfs/dbraw/zinc/12/08/09/720120809.db2.gz UEOFFPPMZHORCW-IEBWSBKVSA-N 1 0 436.560 2.825 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N(C)OC)CC2 ZINC001164713908 720132103 /nfs/dbraw/zinc/13/21/03/720132103.db2.gz UEGBXAVOWJEHLG-FQEVSTJZSA-N 1 0 439.560 2.618 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164711752 720145576 /nfs/dbraw/zinc/14/55/76/720145576.db2.gz JOOFABIGQUYLGK-NRFANRHFSA-N 1 0 446.555 2.530 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)C2 ZINC001164809162 720147539 /nfs/dbraw/zinc/14/75/39/720147539.db2.gz HKVBKJYVKFFLRE-UUOWRZLLSA-N 1 0 430.593 2.743 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)C2 ZINC001164809156 720147943 /nfs/dbraw/zinc/14/79/43/720147943.db2.gz HKVBKJYVKFFLRE-HOYKHHGWSA-N 1 0 430.593 2.743 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(ccn3C)c(OC)n1)CC2 ZINC001164712669 720155107 /nfs/dbraw/zinc/15/51/07/720155107.db2.gz OGEUVQGXAIQMLY-IBGZPJMESA-N 1 0 436.560 2.879 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)C2 ZINC001164816321 720157352 /nfs/dbraw/zinc/15/73/52/720157352.db2.gz KWYLWQRBTWMBRN-KUHUBIRLSA-N 1 0 428.911 2.564 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)Nc1cc(C)on1)C2 ZINC001164820282 720162919 /nfs/dbraw/zinc/16/29/19/720162919.db2.gz ZXGLTDQAIWIABN-MBSDFSHPSA-N 1 0 425.533 2.815 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1cccc(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714685 720166164 /nfs/dbraw/zinc/16/61/64/720166164.db2.gz RKUGHEWYONWFEC-OAHLLOKOSA-N 1 0 426.899 2.625 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1ccnc(Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712295 720166597 /nfs/dbraw/zinc/16/65/97/720166597.db2.gz FHMQGEGJRPXNMG-MRXNPFEDSA-N 1 0 426.899 2.625 20 0 IFADRO Cc1cc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cc(Cl)n1 ZINC001164715232 720167697 /nfs/dbraw/zinc/16/76/97/720167697.db2.gz UAAAMLVYMJMVOW-KRWDZBQOSA-N 1 0 440.926 2.933 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)C2 ZINC001164818692 720171326 /nfs/dbraw/zinc/17/13/26/720171326.db2.gz UCWLOWDSKPCBJU-FZKQIMNGSA-N 1 0 426.899 2.688 20 0 IFADRO Cc1cc2c(nc(Cl)nc2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)s1 ZINC001164719871 720175416 /nfs/dbraw/zinc/17/54/16/720175416.db2.gz XUNLHDOKEYRXLP-MRXNPFEDSA-N 1 0 447.996 2.998 20 0 IFADRO Cn1nnc2c1CCN(c1cnc3c(Cl)cccc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717018 720176242 /nfs/dbraw/zinc/17/62/42/720176242.db2.gz JDWFGZZRORWUCV-GOSISDBHSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c(F)cccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718793 720178862 /nfs/dbraw/zinc/17/88/62/720178862.db2.gz RKCLTHXGUDHZFV-QGZVFWFLSA-N 1 0 445.930 2.767 20 0 IFADRO CCc1c(Cl)nnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1CC ZINC001164717644 720184089 /nfs/dbraw/zinc/18/40/89/720184089.db2.gz LAMPJDCQOXHTBX-SFHVURJKSA-N 1 0 433.988 2.600 20 0 IFADRO Cn1nnc2c1CCN(c1nncc3cc(Cl)ccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715485 720184551 /nfs/dbraw/zinc/18/45/51/720184551.db2.gz CUPKXAOTUXYHFW-IBGZPJMESA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1cc(F)cc3ncnc(Cl)c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716690 720192869 /nfs/dbraw/zinc/19/28/69/720192869.db2.gz RQYDKTGUVXVIKF-SFHVURJKSA-N 1 0 445.930 2.767 20 0 IFADRO CCc1nc2sccc2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164714533 720202037 /nfs/dbraw/zinc/20/20/37/720202037.db2.gz GGRVEXNSWDBPQF-QGZVFWFLSA-N 1 0 427.578 2.598 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164815224 720211329 /nfs/dbraw/zinc/21/13/29/720211329.db2.gz XEKBWZHAAKJBBU-UHFFFAOYSA-N 1 0 426.899 2.791 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1COC3(C)C)CCC2 ZINC001164814034 720217768 /nfs/dbraw/zinc/21/77/68/720217768.db2.gz RLCGLTXZXRXDSF-UHFFFAOYSA-N 1 0 432.956 2.703 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@H](C)C3)ncn1)CCC2 ZINC001164813941 720241848 /nfs/dbraw/zinc/24/18/48/720241848.db2.gz SJGMJKIMMKLHDF-SFHVURJKSA-N 1 0 425.581 2.520 20 0 IFADRO Cc1nc(-c2ccncc2)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1C ZINC001164812137 720242136 /nfs/dbraw/zinc/24/21/36/720242136.db2.gz BSBXKSNNQWKBQX-UHFFFAOYSA-N 1 0 433.560 2.963 20 0 IFADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164819807 720285772 /nfs/dbraw/zinc/28/57/72/720285772.db2.gz SGEKDZXWEWYYGR-QZTJIDSGSA-N 1 0 434.968 2.823 20 0 IFADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821309 720294621 /nfs/dbraw/zinc/29/46/21/720294621.db2.gz JVFCWTSJTNVFBR-WZIVPHRBSA-N 1 0 426.561 2.569 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccnc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001164828257 720309570 /nfs/dbraw/zinc/30/95/70/720309570.db2.gz ZMRQKTRMRDYETA-MSOLQXFVSA-N 1 0 444.580 2.735 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164822095 720312752 /nfs/dbraw/zinc/31/27/52/720312752.db2.gz MPYDVUCXRBZKSQ-YADHBBJMSA-N 1 0 436.556 2.933 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164833907 720322582 /nfs/dbraw/zinc/32/25/82/720322582.db2.gz XYDDWOHOURBWJI-GJZGRUSLSA-N 1 0 434.997 2.960 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164833966 720324465 /nfs/dbraw/zinc/32/44/65/720324465.db2.gz YJPNVCZNLULZOX-PMACEKPBSA-N 1 0 428.577 2.787 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(N)cc(Cl)n2)CC1 ZINC001164827741 720324680 /nfs/dbraw/zinc/32/46/80/720324680.db2.gz IFQCKPDDSSIKAO-CVEARBPZSA-N 1 0 427.927 2.774 20 0 IFADRO CSc1nc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2s1 ZINC001164823895 720329628 /nfs/dbraw/zinc/32/96/28/720329628.db2.gz BPNPHZPBHGWHCI-GJZGRUSLSA-N 1 0 432.619 2.720 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)COc2cncc(Cl)n2)CC1 ZINC001164828363 720341960 /nfs/dbraw/zinc/34/19/60/720341960.db2.gz OLDIIGVJFKBLLO-HOTGVXAUSA-N 1 0 443.926 2.509 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164831109 720342308 /nfs/dbraw/zinc/34/23/08/720342308.db2.gz XOWRYVMMOCFSLL-VXKWHMMOSA-N 1 0 436.556 2.933 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164831106 720342464 /nfs/dbraw/zinc/34/24/64/720342464.db2.gz XOWRYVMMOCFSLL-FGZHOGPDSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3cccnc3)nc3c2CCC3)CC1 ZINC001164825209 720347158 /nfs/dbraw/zinc/34/71/58/720347158.db2.gz IXORGHSHWJJCNR-GOTSBHOMSA-N 1 0 446.599 2.939 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2ncn3-c2ccccc2)CC1 ZINC001164829408 720348759 /nfs/dbraw/zinc/34/87/59/720348759.db2.gz SDLWGOOVXIBZOI-LEWJYISDSA-N 1 0 445.571 2.727 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3nc(C4CC4)no3)ccn2)CC1 ZINC001164831274 720349664 /nfs/dbraw/zinc/34/96/64/720349664.db2.gz YRWZNXPTJJYVLS-VQTJNVASSA-N 1 0 436.560 2.921 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164826741 720351922 /nfs/dbraw/zinc/35/19/22/720351922.db2.gz KXOBKBTVQKZKMX-RTBURBONSA-N 1 0 434.968 2.742 20 0 IFADRO Cc1nc(CN2CCN(C)C3(CCN(c4cc(OC(C)C)cc[nH+]4)CC3)C2=O)cs1 ZINC001164819445 720372395 /nfs/dbraw/zinc/37/23/95/720372395.db2.gz FDFUWYJWIJAERB-UHFFFAOYSA-N 1 0 429.590 2.947 20 0 IFADRO C[NH+]1CCN(c2ccc(N3CCC(F)(F)[C@@]4(CCN(c5ccccc5)C4)C3)nn2)CC1 ZINC001164822855 720393812 /nfs/dbraw/zinc/39/38/12/720393812.db2.gz MFWOEBJWSNWZNG-JOCHJYFZSA-N 1 0 428.531 2.971 20 0 IFADRO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC(C)=O ZINC001164735067 720414774 /nfs/dbraw/zinc/41/47/74/720414774.db2.gz VMURWDDWAVMUSN-RTWAWAEBSA-N 1 0 447.495 2.729 20 0 IFADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164733454 720446820 /nfs/dbraw/zinc/44/68/20/720446820.db2.gz PPLUSVYKTOEOIS-IOMROCGXSA-N 1 0 429.590 2.797 20 0 IFADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164735352 720448426 /nfs/dbraw/zinc/44/84/26/720448426.db2.gz WMNLUMQCCTXVRL-SFTDATJTSA-N 1 0 429.590 2.797 20 0 IFADRO O=C(C[C@@H]1OC[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@H]21)N1CCCCC1 ZINC001164834067 720502113 /nfs/dbraw/zinc/50/21/13/720502113.db2.gz RHBLTDHDBWRAFH-BDTNDASRSA-N 1 0 442.604 2.800 20 0 IFADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837809 720509277 /nfs/dbraw/zinc/50/92/77/720509277.db2.gz PELQVSGVGNPCPK-XYJFISCASA-N 1 0 432.956 2.881 20 0 IFADRO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834233 720534362 /nfs/dbraw/zinc/53/43/62/720534362.db2.gz CYGLVTBOHTWGMG-YESZJQIVSA-N 1 0 432.956 2.881 20 0 IFADRO COC(=O)c1cc2ccncc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842562 720554555 /nfs/dbraw/zinc/55/45/55/720554555.db2.gz YIGNYURBMFUCCV-WOIUINJBSA-N 1 0 434.544 2.991 20 0 IFADRO CCOc1ccc(C(=O)OC)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834206 720558128 /nfs/dbraw/zinc/55/81/28/720558128.db2.gz CSZIGQSUFQTOPT-QWFCFKBJSA-N 1 0 427.549 2.841 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(OC)c1 ZINC001164837369 720562963 /nfs/dbraw/zinc/56/29/63/720562963.db2.gz MBGUXGUSMBWEBY-VAMGGRTRSA-N 1 0 427.549 2.841 20 0 IFADRO COC(=O)c1cc2c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)[nH]c(Cl)cc-2n1 ZINC001164729539 720573888 /nfs/dbraw/zinc/57/38/88/720573888.db2.gz QIODMVVBGUHRQS-UHFFFAOYSA-N 1 0 428.924 2.858 20 0 IFADRO COC(=O)CSc1cccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836604 720586510 /nfs/dbraw/zinc/58/65/10/720586510.db2.gz FYMCIRRPKPPPPK-CEXWTWQISA-N 1 0 429.590 2.921 20 0 IFADRO COC(=O)c1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c2ccccc2c1OC ZINC001164736667 720588764 /nfs/dbraw/zinc/58/87/64/720588764.db2.gz QLGMOJBVBGQNJW-UHFFFAOYSA-N 1 0 435.528 2.885 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nnc(Cl)c4c3N(C)CCO4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836293 720591533 /nfs/dbraw/zinc/59/15/33/720591533.db2.gz FPQBUVKUVWGWHS-YESZJQIVSA-N 1 0 431.972 2.533 20 0 IFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843244 720648276 /nfs/dbraw/zinc/64/82/76/720648276.db2.gz VTGBTOZMUGTRFT-BRSBDYLESA-N 1 0 446.983 2.981 20 0 IFADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164844273 720649808 /nfs/dbraw/zinc/64/98/08/720649808.db2.gz ZWCOCXIOJYMLCD-YQVWRLOYSA-N 1 0 445.999 2.844 20 0 IFADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741458 720673399 /nfs/dbraw/zinc/67/33/99/720673399.db2.gz TXIQNAWGMHJPBA-HUUCEWRRSA-N 1 0 432.862 2.960 20 0 IFADRO Clc1ncc(OCc2ccccc2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740069 720704389 /nfs/dbraw/zinc/70/43/89/720704389.db2.gz PLVFEQQNZGBNFD-ZWKOTPCHSA-N 1 0 438.919 2.841 20 0 IFADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164744818 720723216 /nfs/dbraw/zinc/72/32/16/720723216.db2.gz STMGOWHZCFJBOR-HOCLYGCPSA-N 1 0 443.870 2.588 20 0 IFADRO F[C@@H](Oc1ccc(Cl)nn1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842973 720743959 /nfs/dbraw/zinc/74/39/59/720743959.db2.gz GSZXTWNAKTUWEF-LJQANCHMSA-N 1 0 429.887 2.615 20 0 IFADRO C[NH+]1CCC(Oc2ccnc(N(c3nc(N4CCCC4)nc4c3C[NH2+]CC4)C3CC3)c2)CC1 ZINC001164842948 720744178 /nfs/dbraw/zinc/74/41/78/720744178.db2.gz GKWFSZZKBQJOHZ-UHFFFAOYSA-N 1 0 449.603 2.891 20 0 IFADRO c1ccc(-c2nsc3c2ncnc3N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164746391 720767281 /nfs/dbraw/zinc/76/72/81/720767281.db2.gz XTPWWZUMKQMIKA-DLBZAZTESA-N 1 0 431.525 2.885 20 0 IFADRO CC(C)(C)OC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1 ZINC001164743990 720800766 /nfs/dbraw/zinc/80/07/66/720800766.db2.gz GZVBFBCMBRWOQL-JKSUJKDBSA-N 1 0 431.924 2.822 20 0 IFADRO CC(C)(C)OC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1 ZINC001164743984 720800863 /nfs/dbraw/zinc/80/08/63/720800863.db2.gz GZVBFBCMBRWOQL-HOTGVXAUSA-N 1 0 431.924 2.822 20 0 IFADRO O=C(c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CCCCC1 ZINC001164747416 720812917 /nfs/dbraw/zinc/81/29/17/720812917.db2.gz OAGZFHYWKLSRJU-QZNHQXDQSA-N 1 0 449.603 2.679 20 0 IFADRO Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CSCC2 ZINC001164737658 720815423 /nfs/dbraw/zinc/81/54/23/720815423.db2.gz BIBLUZJRYKVXBY-FRQCXROJSA-N 1 0 446.024 2.890 20 0 IFADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739711 720817377 /nfs/dbraw/zinc/81/73/77/720817377.db2.gz IBBCDMUTUQDUCW-BRWVUGGUSA-N 1 0 437.926 2.954 20 0 IFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164739790 720821190 /nfs/dbraw/zinc/82/11/90/720821190.db2.gz IOVQYXRCWLOKLJ-IXDOHACOSA-N 1 0 426.956 2.891 20 0 IFADRO Clc1nc2ncsc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737680 720830073 /nfs/dbraw/zinc/83/00/73/720830073.db2.gz BVTVHDCZNFOQJX-RRFJBIMHSA-N 1 0 430.969 2.711 20 0 IFADRO CCOC(=O)/C=C/c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164747448 720837356 /nfs/dbraw/zinc/83/73/56/720837356.db2.gz QNGICQMMPKGRJL-ONNDYTMFSA-N 1 0 436.560 2.629 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)CC[C@H]2C1 ZINC001164854321 720841431 /nfs/dbraw/zinc/84/14/31/720841431.db2.gz RCVFNDFYZLAHKI-PKOBYXMFSA-N 1 0 436.984 2.535 20 0 IFADRO CCOC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1Cl ZINC001164748349 720841709 /nfs/dbraw/zinc/84/17/09/720841709.db2.gz UIVRWRKBHNSVGG-YQVWRLOYSA-N 1 0 444.967 2.883 20 0 IFADRO Nc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164745888 720843656 /nfs/dbraw/zinc/84/36/56/720843656.db2.gz OCIWEVJQFJHVJD-QGPMSJSTSA-N 1 0 437.926 2.833 20 0 IFADRO CC1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)CC1 ZINC001164749389 720848557 /nfs/dbraw/zinc/84/85/57/720848557.db2.gz VTMKNZQWVNYVEM-FDFHNCONSA-N 1 0 436.608 2.684 20 0 IFADRO Fc1cccc(-c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164747933 720851189 /nfs/dbraw/zinc/85/11/89/720851189.db2.gz RZULHHDYVZSEQU-CEWLAPEOSA-N 1 0 434.523 2.649 20 0 IFADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(C)nc2c1 ZINC001164748920 720851567 /nfs/dbraw/zinc/85/15/67/720851567.db2.gz MWVQNYXDMNITNH-SELNLUPBSA-N 1 0 433.560 2.918 20 0 IFADRO CCOc1cc2ncnc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)c2cc1OCC ZINC001164854985 720855287 /nfs/dbraw/zinc/85/52/87/720855287.db2.gz LXJNOHVTIRZDRJ-VGOFRKELSA-N 1 0 430.549 2.601 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)CC[C@H]2C1 ZINC001164860219 720857283 /nfs/dbraw/zinc/85/72/83/720857283.db2.gz VZRYHZLDSSMFPZ-AZUAARDMSA-N 1 0 432.952 2.883 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164753519 720857567 /nfs/dbraw/zinc/85/75/67/720857567.db2.gz WZRSJEZCLYVALH-SQGPQFPESA-N 1 0 444.967 2.801 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)CC[C@@H]2C1 ZINC001164860223 720857854 /nfs/dbraw/zinc/85/78/54/720857854.db2.gz VZRYHZLDSSMFPZ-UYAOXDASSA-N 1 0 432.952 2.883 20 0 IFADRO CCCSc1ncnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1OC ZINC001164747699 720859661 /nfs/dbraw/zinc/85/96/61/720859661.db2.gz JAXQMLNQPNHAKN-IPMKNSEASA-N 1 0 443.621 2.958 20 0 IFADRO COc1cc(OC)c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164752777 720859687 /nfs/dbraw/zinc/85/96/87/720859687.db2.gz UQLSWSPNOUGUMD-LVCYWYKZSA-N 1 0 449.559 2.618 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)CC[C@H]2C1 ZINC001164859511 720859806 /nfs/dbraw/zinc/85/98/06/720859806.db2.gz UDSHZKNEKKTECN-UGKGYDQZSA-N 1 0 439.535 2.792 20 0 IFADRO FC(F)(Oc1cnc(Cl)cn1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751243 720860391 /nfs/dbraw/zinc/86/03/91/720860391.db2.gz QYWNWEJKNGCBFH-BZUAXINKSA-N 1 0 439.898 2.526 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)CC[C@H]2C1 ZINC001164853148 720864937 /nfs/dbraw/zinc/86/49/37/720864937.db2.gz GOWAUNUAKAAAEY-WMLDXEAASA-N 1 0 437.903 2.630 20 0 IFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)c2c1 ZINC001164859361 720871786 /nfs/dbraw/zinc/87/17/86/720871786.db2.gz MUYUNHGZNOQXOQ-QFBILLFUSA-N 1 0 448.951 2.633 20 0 IFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)c2c1 ZINC001164859363 720872016 /nfs/dbraw/zinc/87/20/16/720872016.db2.gz MUYUNHGZNOQXOQ-VQIMIIECSA-N 1 0 448.951 2.633 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4nc3N3CCCCC3)CC[C@H]2C1 ZINC001164859211 720872615 /nfs/dbraw/zinc/87/26/15/720872615.db2.gz MAYRQDLAGFBXKY-SIKLNZKXSA-N 1 0 425.577 2.794 20 0 IFADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)c2c1C ZINC001164861246 720874284 /nfs/dbraw/zinc/87/42/84/720874284.db2.gz PIDZNGOUHBKDNV-IAGOWNOFSA-N 1 0 448.589 2.658 20 0 IFADRO O=C1Cc2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2N1 ZINC001164750034 720876617 /nfs/dbraw/zinc/87/66/17/720876617.db2.gz IKSIZSNHNJQSQZ-PXDATVDWSA-N 1 0 433.556 2.726 20 0 IFADRO CN(C)C(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164749775 720884702 /nfs/dbraw/zinc/88/47/02/720884702.db2.gz APTBEEGORDBZLF-BVAGGSTKSA-N 1 0 449.599 2.934 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)nc4sccc43)CC[C@@H]2C1 ZINC001164858666 720885298 /nfs/dbraw/zinc/88/52/98/720885298.db2.gz LPVXBRCTSFNJBA-VQIMIIECSA-N 1 0 425.558 2.927 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)nc4sccc43)CC[C@H]2C1 ZINC001164858655 720885486 /nfs/dbraw/zinc/88/54/86/720885486.db2.gz LPVXBRCTSFNJBA-LPHOPBHVSA-N 1 0 425.558 2.927 20 0 IFADRO CNC(=O)c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758501 720898195 /nfs/dbraw/zinc/89/81/95/720898195.db2.gz YRWJFWASGKLTBY-PXDATVDWSA-N 1 0 435.572 2.591 20 0 IFADRO CNC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753428 720898798 /nfs/dbraw/zinc/89/87/98/720898798.db2.gz GUJOVIIRGGFAPT-RDGATRHJSA-N 1 0 435.572 2.591 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164750479 720950964 /nfs/dbraw/zinc/95/09/64/720950964.db2.gz KDOGIAHJFGSMNO-UHFFFAOYSA-N 1 0 435.315 2.779 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)[C@H]2C ZINC001164861197 720956573 /nfs/dbraw/zinc/95/65/73/720956573.db2.gz SDBXAKNVULRWMU-INIZCTEOSA-N 1 0 433.560 2.981 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164751765 720958357 /nfs/dbraw/zinc/95/83/57/720958357.db2.gz UATHTXFUPYAWLV-UHFFFAOYSA-N 1 0 449.939 2.532 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164753347 720964745 /nfs/dbraw/zinc/96/47/45/720964745.db2.gz CPARFTVCRGWDNV-UHFFFAOYSA-N 1 0 444.898 2.778 20 0 IFADRO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164754730 720965082 /nfs/dbraw/zinc/96/50/82/720965082.db2.gz WCDQBCMDHFMXBS-UHFFFAOYSA-N 1 0 440.935 2.948 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164753692 720965168 /nfs/dbraw/zinc/96/51/68/720965168.db2.gz IEJDSEOJKNVRNR-UHFFFAOYSA-N 1 0 444.898 2.778 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164754143 720967320 /nfs/dbraw/zinc/96/73/20/720967320.db2.gz MXXAYKVMVDNROA-UHFFFAOYSA-N 1 0 434.422 2.549 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)[C@@H]2C ZINC001164861466 720993495 /nfs/dbraw/zinc/99/34/95/720993495.db2.gz PXEMNXJVIHGTNF-GFCCVEGCSA-N 1 0 426.899 2.997 20 0 IFADRO CCN(CC)S(=O)(=O)c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1 ZINC001164858110 721002194 /nfs/dbraw/zinc/00/21/94/721002194.db2.gz HACSMDJQFZMJOL-KRWDZBQOSA-N 1 0 434.610 2.730 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(-c4cnn(C)c4)nnn3C[C@H]2COC)nc1 ZINC001164761768 721025062 /nfs/dbraw/zinc/02/50/62/721025062.db2.gz SWTUJPDCXCTXRZ-VQTJNVASSA-N 1 0 436.564 2.656 20 0 IFADRO Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cn1 ZINC001164762319 721035012 /nfs/dbraw/zinc/03/50/12/721035012.db2.gz HSZMPIGQLUEARM-BJKOFHAPSA-N 1 0 442.567 2.867 20 0 IFADRO CCn1nnc2c1CCN(c1cccc(N3CC[NH+](C)CC3)n1)[C@@H]2COCc1ccccc1 ZINC001164773449 721048552 /nfs/dbraw/zinc/04/85/52/721048552.db2.gz RTCGAQSQOJOQJA-JOCHJYFZSA-N 1 0 447.587 2.765 20 0 IFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1OCC ZINC001164866668 721084170 /nfs/dbraw/zinc/08/41/70/721084170.db2.gz UQEWUENZAJKDGD-RBUKOAKNSA-N 1 0 426.517 2.532 20 0 IFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1OCC ZINC001164866666 721084618 /nfs/dbraw/zinc/08/46/18/721084618.db2.gz UQEWUENZAJKDGD-MOPGFXCFSA-N 1 0 426.517 2.532 20 0 IFADRO COc1cc2nc(C)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164867304 721090420 /nfs/dbraw/zinc/09/04/20/721090420.db2.gz XUAYVBZBOCLGRL-RTBURBONSA-N 1 0 435.528 2.830 20 0 IFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2)C1 ZINC001164880977 721139431 /nfs/dbraw/zinc/13/94/31/721139431.db2.gz YMLSUBKEQVDMNU-UEVCKROQSA-N 1 0 435.572 2.828 20 0 IFADRO c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[N@@H+]3C2)c1 ZINC001164880432 721146472 /nfs/dbraw/zinc/14/64/72/721146472.db2.gz WOJKBFWDWFRONL-RTWAWAEBSA-N 1 0 445.523 2.790 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)C[C@@H]3C2)cn1 ZINC001164773963 721157659 /nfs/dbraw/zinc/15/76/59/721157659.db2.gz ZOCVQJHBYCKWSP-ICSRJNTNSA-N 1 0 446.534 2.706 20 0 IFADRO Clc1nc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880988 721171363 /nfs/dbraw/zinc/17/13/63/721171363.db2.gz YQKZIQLQHXJFQW-KGLIPLIRSA-N 1 0 432.315 2.601 20 0 IFADRO Clc1nc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880989 721172047 /nfs/dbraw/zinc/17/20/47/721172047.db2.gz YQKZIQLQHXJFQW-UONOGXRCSA-N 1 0 432.315 2.601 20 0 IFADRO COC(=O)c1cc2c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164773839 721172489 /nfs/dbraw/zinc/17/24/89/721172489.db2.gz XJNRYKLHXJXFNP-GJZGRUSLSA-N 1 0 428.924 2.695 20 0 IFADRO c1nc2c(ncnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1-c1ccccc1 ZINC001164880676 721172864 /nfs/dbraw/zinc/17/28/64/721172864.db2.gz WVOSUIJZFZPYSH-RTWAWAEBSA-N 1 0 427.512 2.690 20 0 IFADRO Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164878448 721173314 /nfs/dbraw/zinc/17/33/14/721173314.db2.gz QDTJEJVKPURURF-FGZHOGPDSA-N 1 0 444.539 2.912 20 0 IFADRO COc1nnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868191 721188616 /nfs/dbraw/zinc/18/86/16/721188616.db2.gz KXKKLAWUZFCFEG-GJZGRUSLSA-N 1 0 425.867 2.558 20 0 IFADRO COc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(Cl)n1 ZINC001164868451 721190643 /nfs/dbraw/zinc/19/06/43/721190643.db2.gz MWOCDUIJJYXVKI-GJZGRUSLSA-N 1 0 425.867 2.558 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3N(c4ncccn4)CCC[C@]3(C(=O)NC)C2)nc1 ZINC001164867874 721207849 /nfs/dbraw/zinc/20/78/49/721207849.db2.gz IWSOCXFFSORUEV-OTPAQWSUSA-N 1 0 449.603 2.640 20 0 IFADRO COC(=O)c1nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c2ccccc2c1OC ZINC001164773367 721224092 /nfs/dbraw/zinc/22/40/92/721224092.db2.gz WSMWXUIEUFYABT-QZTJIDSGSA-N 1 0 435.528 2.722 20 0 IFADRO Cc1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164868989 721274020 /nfs/dbraw/zinc/27/40/20/721274020.db2.gz IKLPFBKKMAKOPX-UHFFFAOYSA-N 1 0 431.968 2.599 20 0 IFADRO Cc1nc2cc(Cl)ccc2c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164869389 721274057 /nfs/dbraw/zinc/27/40/57/721274057.db2.gz NCVLCTRIPSECKN-UHFFFAOYSA-N 1 0 431.968 2.599 20 0 IFADRO Cc1c(Cl)nc(CC(C)C)nc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164878648 721291619 /nfs/dbraw/zinc/29/16/19/721291619.db2.gz RSYHFWMTCVAERC-UHFFFAOYSA-N 1 0 438.016 2.644 20 0 IFADRO CCN(C)c1cc(C)[nH+]c(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164776521 721330896 /nfs/dbraw/zinc/33/08/96/721330896.db2.gz FZQGFVQLAIVROR-HSZRJFAPSA-N 1 0 428.581 2.965 20 0 IFADRO CCOC(=O)Cc1ccnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164786158 721375921 /nfs/dbraw/zinc/37/59/21/721375921.db2.gz TZBXYVDMBMBYDY-DEOSSOPVSA-N 1 0 442.560 2.911 20 0 IFADRO CCOC(=O)c1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1Cl ZINC001164889212 721386998 /nfs/dbraw/zinc/38/69/98/721386998.db2.gz LAHQUPLGDZSYCT-JTSKRJEESA-N 1 0 436.984 2.677 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc(OCc5ccccc5)n4)C3)O2)CC1 ZINC001164891102 721410271 /nfs/dbraw/zinc/41/02/71/721410271.db2.gz VFXHNXNPJCWLEU-DHLKQENFSA-N 1 0 437.588 2.821 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(OCc5ccccc5)cnn4)C3)O2)CC1 ZINC001164891453 721418697 /nfs/dbraw/zinc/41/86/97/721418697.db2.gz WGCKSQDBLHRRLE-RCZVLFRGSA-N 1 0 437.588 2.821 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164884665 721419965 /nfs/dbraw/zinc/41/99/65/721419965.db2.gz FHAFHYJUVHTKHN-YKSBVNFPSA-N 1 0 430.593 2.641 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892394 721422640 /nfs/dbraw/zinc/42/26/40/721422640.db2.gz XYKDEQVUEQWCGE-HXOBKFHXSA-N 1 0 429.540 2.543 20 0 IFADRO CSc1nc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2s1 ZINC001164892411 721424443 /nfs/dbraw/zinc/42/44/43/721424443.db2.gz YAPHOUJDQRYHOV-MGPUTAFESA-N 1 0 434.635 2.574 20 0 IFADRO COc1cccc(-c2ccnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)n2)c1 ZINC001164891964 721424685 /nfs/dbraw/zinc/42/46/85/721424685.db2.gz XGVBKJNWVPCKPV-DHLKQENFSA-N 1 0 437.588 2.918 20 0 IFADRO CCCN(CCC)c1cncc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892983 721425626 /nfs/dbraw/zinc/42/56/26/721425626.db2.gz INFLOHMPUDYEQL-XUZZJYLKSA-N 1 0 430.641 2.868 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc(OCc5ccccc5)cn4)C3)O2)CC1 ZINC001164890779 721426716 /nfs/dbraw/zinc/42/67/16/721426716.db2.gz FOERLMTXVHKEFQ-WIOPSUGQSA-N 1 0 437.588 2.821 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc(OCc5ccccc5)cn4)C3)O2)CC1 ZINC001164890778 721426997 /nfs/dbraw/zinc/42/69/97/721426997.db2.gz FOERLMTXVHKEFQ-RDGATRHJSA-N 1 0 437.588 2.821 20 0 IFADRO CCOC(=O)c1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164892376 721427948 /nfs/dbraw/zinc/42/79/48/721427948.db2.gz IJVPAEIKLJAERK-JTSKRJEESA-N 1 0 436.984 2.677 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(N)c4)C3)O2)CC1 ZINC001164897418 721430884 /nfs/dbraw/zinc/43/08/84/721430884.db2.gz UAABQTWSNRZQHJ-QFBILLFUSA-N 1 0 429.943 2.628 20 0 IFADRO COc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1 ZINC001164893008 721433198 /nfs/dbraw/zinc/43/31/98/721433198.db2.gz IOZWTWMIHBMQPZ-RDGATRHJSA-N 1 0 437.588 2.918 20 0 IFADRO COc1cccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164891517 721435353 /nfs/dbraw/zinc/43/53/53/721435353.db2.gz GWBYPTPHZXWLBG-RDGATRHJSA-N 1 0 437.588 2.918 20 0 IFADRO COc1cccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164891520 721435897 /nfs/dbraw/zinc/43/58/97/721435897.db2.gz GWBYPTPHZXWLBG-WIOPSUGQSA-N 1 0 437.588 2.918 20 0 IFADRO Cc1nc(-c2ccccn2)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164893702 721442075 /nfs/dbraw/zinc/44/20/75/721442075.db2.gz JZNZIVSJJHGHIF-SQJMNOBHSA-N 1 0 436.604 2.921 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cncc(N5CCCCCC5)n4)C3)O2)CC1 ZINC001164894920 721442460 /nfs/dbraw/zinc/44/24/60/721442460.db2.gz NIEQTTVMOQARKZ-QPPBQGQZSA-N 1 0 428.625 2.622 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ccc21 ZINC001164891491 721442916 /nfs/dbraw/zinc/44/29/16/721442916.db2.gz GRJLDCWFWYSORQ-CLOONOSVSA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cncc(OCC5CCCC5)n4)C3)O2)CC1 ZINC001164889632 721448175 /nfs/dbraw/zinc/44/81/75/721448175.db2.gz OLTNXCUJKXQKAA-ZJSXRUAMSA-N 1 0 429.609 2.811 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(-c5ccncc5)n4)C3)O2)CC1 ZINC001164884932 721448327 /nfs/dbraw/zinc/44/83/27/721448327.db2.gz CUWQQLXBEIVKNR-CVDCTZTESA-N 1 0 442.995 2.957 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cc1F)CC2 ZINC001164783617 721457841 /nfs/dbraw/zinc/45/78/41/721457841.db2.gz DVTAHBSZCRIJBE-LJQANCHMSA-N 1 0 435.540 2.741 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3ccc(=O)n(C)c3n1)CC2 ZINC001164783609 721460420 /nfs/dbraw/zinc/46/04/20/721460420.db2.gz DSTJKKLJDUIMRN-OAQYLSRUSA-N 1 0 440.588 2.667 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)NC3CC3)cn1)CC2 ZINC001164790278 721460972 /nfs/dbraw/zinc/46/09/72/721460972.db2.gz ZZCFNZSDDZULLD-QFIPXVFZSA-N 1 0 442.604 2.708 20 0 IFADRO CCOC(=O)c1ncnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1C ZINC001164784846 721461407 /nfs/dbraw/zinc/46/14/07/721461407.db2.gz KMXMLBWAMULQGT-HXUWFJFHSA-N 1 0 446.592 2.696 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OCC3CC3)ncn1)CC2 ZINC001164782839 721462001 /nfs/dbraw/zinc/46/20/01/721462001.db2.gz CVSNGDLEYHCIKJ-OAQYLSRUSA-N 1 0 430.593 2.999 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(N3CCCC3)n1)CC2 ZINC001164783877 721463635 /nfs/dbraw/zinc/46/36/35/721463635.db2.gz GFGHHJYSSAIISC-NRFANRHFSA-N 1 0 429.609 2.811 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(OC)cnc31)CC2 ZINC001164783703 721464740 /nfs/dbraw/zinc/46/47/40/721464740.db2.gz FVGSLJGIRJNCCM-IBGZPJMESA-N 1 0 441.576 2.767 20 0 IFADRO CCn1cnc2c1ncnc2N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164786674 721467374 /nfs/dbraw/zinc/46/73/74/721467374.db2.gz BXEOSWLAUOQCAN-LJQANCHMSA-N 1 0 428.581 2.580 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3c(ccn3C)c(OC)n1)CC2 ZINC001164789427 721471746 /nfs/dbraw/zinc/47/17/46/721471746.db2.gz MRCVRYXSWKGPRW-LJQANCHMSA-N 1 0 443.592 2.711 20 0 IFADRO O=C(C[C@@H]1COC[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]21)N1CCC(F)CC1 ZINC001164895691 721479711 /nfs/dbraw/zinc/47/97/11/721479711.db2.gz MQFGDBYZQGDGJQ-URVUXULASA-N 1 0 430.568 2.727 20 0 IFADRO Clc1ccc(CN2CCCC2)c(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)n1 ZINC001164793845 721484137 /nfs/dbraw/zinc/48/41/37/721484137.db2.gz YQUVWJWXCVJRRD-FHWLQOOXSA-N 1 0 428.968 2.883 20 0 IFADRO Clc1ccc(CN2CCCC2)c(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@H]32)c2ncccn2)n1 ZINC001164793846 721484248 /nfs/dbraw/zinc/48/42/48/721484248.db2.gz YQUVWJWXCVJRRD-OTWHNJEPSA-N 1 0 428.968 2.883 20 0 IFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(S(N)(=O)=O)cc1Cl)CC2 ZINC001164792986 721493851 /nfs/dbraw/zinc/49/38/51/721493851.db2.gz XHZVDDAVBHHSNX-UHFFFAOYSA-N 1 0 435.981 2.658 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc4nc(Cl)cnc4c2)CC3)CC1 ZINC001164795003 721512543 /nfs/dbraw/zinc/51/25/43/721512543.db2.gz ZXZFDVGLQZSBAZ-UHFFFAOYSA-N 1 0 447.921 2.792 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4cc(Cl)ccc42)CC3)CC1 ZINC001164794304 721513081 /nfs/dbraw/zinc/51/30/81/721513081.db2.gz NGQJRTSNFPIPNW-UHFFFAOYSA-N 1 0 432.359 2.901 20 0 IFADRO CCc1nc2sc3c(c2c(N2CCn4cc(CN5CC[NH+](C)CC5)nc4C2)n1)CCC3 ZINC001164799212 721518990 /nfs/dbraw/zinc/51/89/90/721518990.db2.gz YWSRGWBFXGMLDD-UHFFFAOYSA-N 1 0 437.617 2.707 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc(-c4ccc(F)cc4)n2)CC3)CC1 ZINC001164795871 721520165 /nfs/dbraw/zinc/52/01/65/721520165.db2.gz TYACCPSMCDKPON-UHFFFAOYSA-N 1 0 441.942 2.900 20 0 IFADRO CCOC(=O)c1c[nH]c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164896880 721521066 /nfs/dbraw/zinc/52/10/66/721521066.db2.gz BRAZDWILOYOUCC-RDJZCZTQSA-N 1 0 425.464 2.616 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccncc4)nc4sccc42)CC3)CC1 ZINC001164795121 721521256 /nfs/dbraw/zinc/52/12/56/721521256.db2.gz JSGSNVSCBXFZDJ-UHFFFAOYSA-N 1 0 446.584 2.717 20 0 IFADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909754 721529331 /nfs/dbraw/zinc/52/93/31/721529331.db2.gz RSTZWZFTFFLPIG-RDJZCZTQSA-N 1 0 434.899 2.717 20 0 IFADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902609 721535661 /nfs/dbraw/zinc/53/56/61/721535661.db2.gz AMXRLGWASYSIMA-DOTOQJQBSA-N 1 0 434.899 2.717 20 0 IFADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)C1=O ZINC001164903365 721550434 /nfs/dbraw/zinc/55/04/34/721550434.db2.gz CFIZDYQRXXZUCY-RDJZCZTQSA-N 1 0 445.926 2.975 20 0 IFADRO CCOC(=O)[C@@H]1CCc2nnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)cc2C1 ZINC001164905883 721567606 /nfs/dbraw/zinc/56/76/06/721567606.db2.gz HQTLTCHXMUKKRX-LKUPVBHCSA-N 1 0 440.519 2.626 20 0 IFADRO COC(=O)CSc1cccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164800874 721571571 /nfs/dbraw/zinc/57/15/71/721571571.db2.gz FTMYJRGZDBTZRS-SPEDKVCISA-N 1 0 428.558 2.610 20 0 IFADRO COc1cc(OC)c2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1 ZINC001164805816 721590802 /nfs/dbraw/zinc/59/08/02/721590802.db2.gz LYNOCHLYOSHMFH-JTAQYXEDSA-N 1 0 435.528 2.910 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CCC4(CCOC[C@H]4COc4cccnc4)CC3)n2)CC1 ZINC001164799310 721604053 /nfs/dbraw/zinc/60/40/53/721604053.db2.gz JOFHHEWKIYNNLF-NRFANRHFSA-N 1 0 437.588 2.931 20 0 IFADRO COC(=O)CSc1cncc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912219 721728318 /nfs/dbraw/zinc/72/83/18/721728318.db2.gz NDPPFXUQAQMHTH-FQEVSTJZSA-N 1 0 449.527 2.874 20 0 IFADRO O=C(NC1CC1)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164911200 721730309 /nfs/dbraw/zinc/73/03/09/721730309.db2.gz IQIMGGFTBBSRQT-NRFANRHFSA-N 1 0 428.487 2.502 20 0 IFADRO COC(=O)C[C@H](c1ccnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1)C1CC1 ZINC001165011425 721744481 /nfs/dbraw/zinc/74/44/81/721744481.db2.gz XEKFLLROAFGKFI-FQEVSTJZSA-N 1 0 428.577 2.661 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 ZINC001165011436 721746259 /nfs/dbraw/zinc/74/62/59/721746259.db2.gz XGWVPAPULFEMNM-UHFFFAOYSA-N 1 0 448.011 2.884 20 0 IFADRO COc1ccc(OC)c(-c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)c1 ZINC001165012930 721746741 /nfs/dbraw/zinc/74/67/41/721746741.db2.gz RMBYXMYLYJMACH-UHFFFAOYSA-N 1 0 439.560 2.684 20 0 IFADRO O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001165013508 721753793 /nfs/dbraw/zinc/75/37/93/721753793.db2.gz MZQKYKFYPHKYJV-TZRRMPRUSA-N 1 0 449.599 2.663 20 0 IFADRO c1cnn(CCCO[C@H]2CC[C@H]3[C@@H]2OCCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001165022418 721781522 /nfs/dbraw/zinc/78/15/22/721781522.db2.gz RGQMYBMEUNTQPU-HFMPRLQTSA-N 1 0 441.576 2.596 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc(S(C)(=O)=O)n3)C[C@H]21 ZINC001165022291 721798541 /nfs/dbraw/zinc/79/85/41/721798541.db2.gz IPLWOSNQQSGWAQ-DJIMGWMZSA-N 1 0 435.981 2.665 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)N4CCOCC4)cn3)C[C@@H]21 ZINC001165019607 721802062 /nfs/dbraw/zinc/80/20/62/721802062.db2.gz DIXNTXJKCBZONP-ACIOBRDBSA-N 1 0 435.572 2.686 20 0 IFADRO COC(=O)c1nc2cnccc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165022629 721816280 /nfs/dbraw/zinc/81/62/80/721816280.db2.gz GHBJLJRKTRMEGQ-LDQXTDLNSA-N 1 0 432.528 2.943 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(CN4C(=O)CCC4=O)cn3)C[C@H]21 ZINC001165018791 721818183 /nfs/dbraw/zinc/81/81/83/721818183.db2.gz AEVDNMDCMGWWJY-KSEOMHKRSA-N 1 0 433.556 2.863 20 0 IFADRO COC(OC)c1c(CO)ccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025244 721819707 /nfs/dbraw/zinc/81/97/07/721819707.db2.gz MBELFSBULVGQSI-IOMROCGXSA-N 1 0 426.561 2.997 20 0 IFADRO CCNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165018769 721823787 /nfs/dbraw/zinc/82/37/87/721823787.db2.gz AFSXPZJOTAEIHP-WMQCIHAUSA-N 1 0 429.590 2.512 20 0 IFADRO CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165028288 721824055 /nfs/dbraw/zinc/82/40/55/721824055.db2.gz VCTYJVTXRSKFLB-BWAGFHJFSA-N 1 0 443.617 2.900 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3S(N)(=O)=O)C[C@@H]21 ZINC001165025757 721828181 /nfs/dbraw/zinc/82/81/81/721828181.db2.gz NTINIINEXWBGSP-HYVNUMGLSA-N 1 0 435.981 2.514 20 0 IFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(C(=O)NCc2ccccc2)cc(Cl)n1 ZINC001164923469 721854250 /nfs/dbraw/zinc/85/42/50/721854250.db2.gz APJRFTJKRWHBGF-UXHICEINSA-N 1 0 427.980 2.880 20 0 IFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938929 721921765 /nfs/dbraw/zinc/92/17/65/721921765.db2.gz CDIZFKITTHWWAG-UHFFFAOYSA-N 1 0 435.528 2.876 20 0 IFADRO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056668 722012672 /nfs/dbraw/zinc/01/26/72/722012672.db2.gz ZVPAEZFZIGELAL-KRWDZBQOSA-N 1 0 427.940 2.939 20 0 IFADRO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960018 722058287 /nfs/dbraw/zinc/05/82/87/722058287.db2.gz CWAHLIHRXPALMU-UHFFFAOYSA-N 1 0 439.560 2.537 20 0 IFADRO COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5C[N@@H+](CC6CC6)C[C@H](C4)O5)ccc-3c2=O)cc1 ZINC001164966546 722074920 /nfs/dbraw/zinc/07/49/20/722074920.db2.gz AHPYVSPZKCVMQZ-OYRHEFFESA-N 1 0 434.540 2.546 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)nc1 ZINC001164979503 722093794 /nfs/dbraw/zinc/09/37/94/722093794.db2.gz KMJBLKSJSWBATO-GPQLQYNLSA-N 1 0 438.576 2.528 20 0 IFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975446 722104428 /nfs/dbraw/zinc/10/44/28/722104428.db2.gz BQEQBNFRHRGDKH-UGKGYDQZSA-N 1 0 433.512 2.539 20 0 IFADRO CC(C)(C)OC(=O)Nc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164985286 722105776 /nfs/dbraw/zinc/10/57/76/722105776.db2.gz WEUUNYNYBUKNLN-RTBURBONSA-N 1 0 440.548 2.946 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc21 ZINC001164970957 722108576 /nfs/dbraw/zinc/10/85/76/722108576.db2.gz AYWVTFMZEQUVOK-AVRDEDQJSA-N 1 0 433.512 2.539 20 0 IFADRO COc1cc2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1OC ZINC001164980504 722113838 /nfs/dbraw/zinc/11/38/38/722113838.db2.gz RMMDKQCILFSYTG-FDDCHVKYSA-N 1 0 435.528 2.769 20 0 IFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971862 722116635 /nfs/dbraw/zinc/11/66/35/722116635.db2.gz CWRVKUFVNYBAHE-IFMALSPDSA-N 1 0 447.539 2.929 20 0 IFADRO COC(=O)c1cc2ccncc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973881 722123569 /nfs/dbraw/zinc/12/35/69/722123569.db2.gz HUHQBWXELMCMPS-KNQAVFIVSA-N 1 0 433.512 2.539 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c(OC)c1 ZINC001164981912 722123921 /nfs/dbraw/zinc/12/39/21/722123921.db2.gz VKEULJJYHKBDDS-XMSQKQJNSA-N 1 0 435.528 2.769 20 0 IFADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978014 722136734 /nfs/dbraw/zinc/13/67/34/722136734.db2.gz JDEZYCHYBRFUTQ-RDJZCZTQSA-N 1 0 439.894 2.806 20 0 IFADRO FC(F)(COc1ccc(Cl)nn1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979605 722140928 /nfs/dbraw/zinc/14/09/28/722140928.db2.gz LNNIUMYMOFEAQR-IAGOWNOFSA-N 1 0 439.894 2.720 20 0 IFADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979746 722142319 /nfs/dbraw/zinc/14/23/19/722142319.db2.gz MCESPICWVGWFSD-HUUCEWRRSA-N 1 0 449.893 2.625 20 0 IFADRO Clc1nc2c(Cl)ncnc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985009 722150359 /nfs/dbraw/zinc/15/03/59/722150359.db2.gz YTSKVBSOVNOLLL-HUUCEWRRSA-N 1 0 446.342 2.849 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164977859 722153698 /nfs/dbraw/zinc/15/36/98/722153698.db2.gz YXJUXSACJWAZOM-PXNSSMCTSA-N 1 0 430.936 2.952 20 0 IFADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975439 722156615 /nfs/dbraw/zinc/15/66/15/722156615.db2.gz SVSXGMJFKRQJGL-DOTOQJQBSA-N 1 0 439.894 2.806 20 0 IFADRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]12 ZINC001164991950 722187291 /nfs/dbraw/zinc/18/72/91/722187291.db2.gz RCTNDWAVFWTXSK-VWNXMTODSA-N 1 0 440.613 2.859 20 0 IFADRO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ncccc3C[NH+]3CCCC3)C[C@H]12 ZINC001164990325 722187346 /nfs/dbraw/zinc/18/73/46/722187346.db2.gz LPBXSYUZQABFLT-LADGPHEKSA-N 1 0 440.613 2.859 20 0 IFADRO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164996889 722219037 /nfs/dbraw/zinc/21/90/37/722219037.db2.gz BVXNAGIPOJJUHX-DEOSSOPVSA-N 1 0 434.544 2.504 20 0 IFADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001004 722252155 /nfs/dbraw/zinc/25/21/55/722252155.db2.gz YCLZVYVFYNATSS-UHFFFAOYSA-N 1 0 435.956 2.905 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3ccccc3nc1N1CCCC1)CCC2 ZINC001165002926 722255828 /nfs/dbraw/zinc/25/58/28/722255828.db2.gz XNVPHUDDOGUXNU-UHFFFAOYSA-N 1 0 435.576 2.915 20 0 IFADRO Cc1nc(CO[C@H]2COC3(C2)CCN(c2cccc(N4CC[NH+](C)CC4)n2)CC3)cs1 ZINC001165005206 722272919 /nfs/dbraw/zinc/27/29/19/722272919.db2.gz FSEONLUROIZOIQ-HXUWFJFHSA-N 1 0 443.617 2.943 20 0 IFADRO COc1ccc([C@@H]2[C@H](C(=O)NCC[NH+](C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004563167 132272321 /nfs/dbraw/zinc/27/23/21/132272321.db2.gz SSKATIMLJVUIDA-FYYLOGMGSA-N 1 0 425.529 2.866 20 0 IFADRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000003552981 536421151 /nfs/dbraw/zinc/42/11/51/536421151.db2.gz ORGZXFRGHDWUJS-UHFFFAOYSA-N 1 0 426.904 2.717 20 0 IFADRO Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCC[N@H+](C)Cc4ccc(F)cc4)c3)cc21 ZINC000095945791 569375881 /nfs/dbraw/zinc/37/58/81/569375881.db2.gz IBHNXNOHTDSPRL-UHFFFAOYSA-N 1 0 433.487 2.881 20 0 IFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164390954 718820952 /nfs/dbraw/zinc/82/09/52/718820952.db2.gz RYKQRZWCXQCUIX-CVEARBPZSA-N 1 0 438.862 2.599 20 0 IFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390965 718821069 /nfs/dbraw/zinc/82/10/69/718821069.db2.gz RYKQRZWCXQCUIX-JKSUJKDBSA-N 1 0 438.862 2.599 20 0 IFADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCN5CC[NH2+]C[C@@H]5C4)c23)C1 ZINC001164408038 718839910 /nfs/dbraw/zinc/83/99/10/718839910.db2.gz XULXUAPRSDGFKA-DLBZAZTESA-N 1 0 426.634 2.506 20 0 IFADRO C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164409857 718863942 /nfs/dbraw/zinc/86/39/42/718863942.db2.gz VBXCNVRNPWYKEF-FUHWJXTLSA-N 1 0 427.618 2.981 20 0 IFADRO C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164409506 718864219 /nfs/dbraw/zinc/86/42/19/718864219.db2.gz QVPBHSDPEWNKJL-FUHWJXTLSA-N 1 0 427.618 2.981 20 0 IFADRO C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164409503 718864318 /nfs/dbraw/zinc/86/43/18/718864318.db2.gz QVPBHSDPEWNKJL-AEFFLSMTSA-N 1 0 427.618 2.981 20 0 IFADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164407781 718865064 /nfs/dbraw/zinc/86/50/64/718865064.db2.gz JUXFGMDABURHFT-WBVHZDCISA-N 1 0 440.878 2.948 20 0 IFADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416353 718885612 /nfs/dbraw/zinc/88/56/12/718885612.db2.gz VIRVYBICCPSYLQ-LJQANCHMSA-N 1 0 429.887 2.615 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164435044 718969410 /nfs/dbraw/zinc/96/94/10/718969410.db2.gz YAUSKUOZXZKMOG-UONOGXRCSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164619882 719010615 /nfs/dbraw/zinc/01/06/15/719010615.db2.gz XHZIXQLKGSBCJA-KUHUBIRLSA-N 1 0 444.910 2.747 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164619738 719011691 /nfs/dbraw/zinc/01/16/91/719011691.db2.gz WYCKGBQFMKCEFB-DNVCBOLYSA-N 1 0 429.895 2.668 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164618901 719011830 /nfs/dbraw/zinc/01/18/30/719011830.db2.gz URAIEHBUNXLHLN-SCLBCKFNSA-N 1 0 430.883 2.704 20 0 IFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC001164616083 719017562 /nfs/dbraw/zinc/01/75/62/719017562.db2.gz KJTCNWNGWNWZJJ-IKGGRYGDSA-N 1 0 429.590 2.634 20 0 IFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)c2cc(OC)ccc2n1 ZINC001164620254 719018394 /nfs/dbraw/zinc/01/83/94/719018394.db2.gz YAXAJTBVASHOAL-WKPIXPDZSA-N 1 0 426.851 2.567 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccccc4)nc(N(C)C)n3)CC2)CC1 ZINC001164616343 719028945 /nfs/dbraw/zinc/02/89/45/719028945.db2.gz BFZLZBUHNXCIIL-UHFFFAOYSA-N 1 0 438.576 2.849 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CCC([NH+]4CCC(C(=O)OCC)CC4)CC3)[nH]c-2n1 ZINC001164618403 719029258 /nfs/dbraw/zinc/02/92/58/719029258.db2.gz WJATWNFJSQMARS-UHFFFAOYSA-N 1 0 428.533 2.984 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c(OC)cc(OC)cc43)CC2)CC1 ZINC001164616522 719035215 /nfs/dbraw/zinc/03/52/15/719035215.db2.gz FDCZKHJYCRHISD-UHFFFAOYSA-N 1 0 428.533 2.891 20 0 IFADRO O=S(=O)(c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCCC1 ZINC001164624347 719087737 /nfs/dbraw/zinc/08/77/37/719087737.db2.gz FKLPBSUHUVXIMR-SFTDATJTSA-N 1 0 426.586 2.967 20 0 IFADRO O=S(=O)(c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1)N1CCCC1 ZINC001164626881 719097088 /nfs/dbraw/zinc/09/70/88/719097088.db2.gz JMRLXVQRMRFMOX-UNMCSNQZSA-N 1 0 426.586 2.967 20 0 IFADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CF)CC1 ZINC001164623189 719121420 /nfs/dbraw/zinc/12/14/20/719121420.db2.gz ROAITTKOIZXDGD-RDJZCZTQSA-N 1 0 445.608 2.916 20 0 IFADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164630989 719135250 /nfs/dbraw/zinc/13/52/50/719135250.db2.gz LXRORLGKASWVMQ-MRXNPFEDSA-N 1 0 429.590 2.507 20 0 IFADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164634305 719136578 /nfs/dbraw/zinc/13/65/78/719136578.db2.gz UKYBCMNXUQEZHJ-RDJZCZTQSA-N 1 0 443.617 2.753 20 0 IFADRO COC(=O)c1cc2ccc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164639372 719210933 /nfs/dbraw/zinc/21/09/33/719210933.db2.gz PYVFBHFRJCIWGL-CVEARBPZSA-N 1 0 442.541 2.589 20 0 IFADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164664579 719345354 /nfs/dbraw/zinc/34/53/54/719345354.db2.gz ZENKPXOGCAXOHG-UHFFFAOYSA-N 1 0 443.599 2.860 20 0 IFADRO C[N@@H+]1CCO[C@H]2CN(c3ccc(Cn4ccc5nc(-c6ccccc6F)nc-5c4)nn3)C[C@H]21 ZINC001164670552 719376403 /nfs/dbraw/zinc/37/64/03/719376403.db2.gz VDCYYGGTSHUONM-YADHBBJMSA-N 1 0 445.502 2.547 20 0 IFADRO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H]5[C@H](C3)OCC[N@@H+]5C)n2)CCC4)CC1 ZINC001164665921 719443768 /nfs/dbraw/zinc/44/37/68/719443768.db2.gz ABDSHFKASFTGAM-MSOLQXFVSA-N 1 0 427.618 2.931 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](OCC(=O)NC)CO3)CC2)nc1 ZINC001164677487 719555530 /nfs/dbraw/zinc/55/55/30/719555530.db2.gz OHIMZPQEOALTGK-NHCUHLMSSA-N 1 0 430.593 2.909 20 0 IFADRO CC(C)N(C)Cc1nn(-c2ncc(C(=O)Nc3nncs3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164679642 719643886 /nfs/dbraw/zinc/64/38/86/719643886.db2.gz JTEUZSOKPGOJON-UHFFFAOYSA-N 1 0 446.968 2.510 20 0 IFADRO CC(C)N(C)Cc1nn(-c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164680617 719648047 /nfs/dbraw/zinc/64/80/47/719648047.db2.gz YPUFCGUITOSVAU-UHFFFAOYSA-N 1 0 447.587 2.652 20 0 IFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccnc4ccnn43)CC2)c2ccccc21 ZINC001164685332 719655174 /nfs/dbraw/zinc/65/51/74/719655174.db2.gz ZFYQOUYPBZLSGR-LJQANCHMSA-N 1 0 432.572 2.823 20 0 IFADRO Cc1nc2nc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ncc2[nH]1 ZINC001164680118 719674569 /nfs/dbraw/zinc/67/45/69/719674569.db2.gz CPMIFRZKFXMDER-SFHVURJKSA-N 1 0 447.587 2.706 20 0 IFADRO CCOc1nccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685838 719680168 /nfs/dbraw/zinc/68/01/68/719680168.db2.gz WDUXEMUONQMSBB-IBGZPJMESA-N 1 0 437.588 2.969 20 0 IFADRO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)c2c1C ZINC001164690042 719740928 /nfs/dbraw/zinc/74/09/28/719740928.db2.gz QMVDZWPNXFLQIY-UHFFFAOYSA-N 1 0 445.589 2.666 20 0 IFADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@H]5OCCN(c6ncccn6)[C@H]5C4)ccc3C2)cc1 ZINC001164694809 719796542 /nfs/dbraw/zinc/79/65/42/719796542.db2.gz HOJRIMQFEUSCEO-XZOQPEGZSA-N 1 0 428.540 2.524 20 0 IFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164691702 719802185 /nfs/dbraw/zinc/80/21/85/719802185.db2.gz IYBLMJZYNAWFRD-ZWKOTPCHSA-N 1 0 448.905 2.541 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3ccnn3C[C@H](C(=O)NCCOC)C2)nc1 ZINC001164698164 719829636 /nfs/dbraw/zinc/82/96/36/719829636.db2.gz SGTHVWMEDGRVFF-IFMALSPDSA-N 1 0 440.592 2.614 20 0 IFADRO Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cn1 ZINC001164710235 720070324 /nfs/dbraw/zinc/07/03/24/720070324.db2.gz DIWUUFXPIJAIMX-GOTSBHOMSA-N 1 0 428.540 2.758 20 0 IFADRO CCOC(=O)c1cncnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164712152 720092785 /nfs/dbraw/zinc/09/27/85/720092785.db2.gz VZZPAVFOSCGLSQ-LJQANCHMSA-N 1 0 425.533 2.556 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1C(N)=O)CC2 ZINC001164713013 720097453 /nfs/dbraw/zinc/09/74/53/720097453.db2.gz ZXYNDRYTBIBNRP-QGZVFWFLSA-N 1 0 429.952 2.736 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3nc(C(=O)OC)cc-3c(OC)[nH]1)C2 ZINC001164813786 720111716 /nfs/dbraw/zinc/11/17/16/720111716.db2.gz QNSKNHHPOWBFEV-MWTRTKDXSA-N 1 0 428.533 2.543 20 0 IFADRO CCOC(=O)c1ncnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1C ZINC001164716249 720123538 /nfs/dbraw/zinc/12/35/38/720123538.db2.gz JMRBYLKKXIMVTL-HXUWFJFHSA-N 1 0 439.560 2.864 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N(C)OC)CC2 ZINC001164713911 720132008 /nfs/dbraw/zinc/13/20/08/720132008.db2.gz UEGBXAVOWJEHLG-HXUWFJFHSA-N 1 0 439.560 2.618 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164711753 720146841 /nfs/dbraw/zinc/14/68/41/720146841.db2.gz JOOFABIGQUYLGK-OAQYLSRUSA-N 1 0 446.555 2.530 20 0 IFADRO COCc1nc(OC)cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714084 720154499 /nfs/dbraw/zinc/15/44/99/720154499.db2.gz OKTWNKGYQXHVAT-IBGZPJMESA-N 1 0 427.549 2.534 20 0 IFADRO COCc1nc(OC)cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714085 720154963 /nfs/dbraw/zinc/15/49/63/720154963.db2.gz OKTWNKGYQXHVAT-LJQANCHMSA-N 1 0 427.549 2.534 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CN(C(C)C)C3=O)C2 ZINC001164818870 720155254 /nfs/dbraw/zinc/15/52/54/720155254.db2.gz VCQUAJJRERWOAI-OPAMFIHVSA-N 1 0 433.984 2.679 20 0 IFADRO Cc1cccc2c1nc(Cl)nc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719860 720176218 /nfs/dbraw/zinc/17/62/18/720176218.db2.gz XLXCISWTLBSWCE-GOSISDBHSA-N 1 0 441.967 2.936 20 0 IFADRO Cn1nnc2c1CCN(c1nccc(-c3ccc(F)cc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718276 720180035 /nfs/dbraw/zinc/18/00/35/720180035.db2.gz ODZUZUVYZFSUFZ-NRFANRHFSA-N 1 0 437.523 2.627 20 0 IFADRO CSc1nc2ccccc2c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164719200 720185812 /nfs/dbraw/zinc/18/58/12/720185812.db2.gz UJNAYLQZPLFRHY-IBGZPJMESA-N 1 0 439.589 2.696 20 0 IFADRO CSc1nc2ccccc2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164719201 720186131 /nfs/dbraw/zinc/18/61/31/720186131.db2.gz UJNAYLQZPLFRHY-LJQANCHMSA-N 1 0 439.589 2.696 20 0 IFADRO Cn1nnc2c1CCN(c1ncc3c(Cl)cccc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718783 720186191 /nfs/dbraw/zinc/18/61/91/720186191.db2.gz QZVXDADOICZRMK-LJQANCHMSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164714537 720193640 /nfs/dbraw/zinc/19/36/40/720193640.db2.gz GINIWFPGUMZDMU-SFHVURJKSA-N 1 0 438.580 2.600 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)C2 ZINC001164810948 720195553 /nfs/dbraw/zinc/19/55/53/720195553.db2.gz FSVCGYDYHJCNFW-KXBFYZLASA-N 1 0 429.943 2.926 20 0 IFADRO Cc1cccc(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)c1 ZINC001164716245 720197275 /nfs/dbraw/zinc/19/72/75/720197275.db2.gz PPMOJTDFGFCBEO-JOCHJYFZSA-N 1 0 433.560 2.797 20 0 IFADRO Cn1nnc2c1CCN(c1ccc(-c3ccccc3F)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715677 720199445 /nfs/dbraw/zinc/19/94/45/720199445.db2.gz MJTBNRCNKUQYSI-NRFANRHFSA-N 1 0 437.523 2.627 20 0 IFADRO Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(-c2ccsc2)n1 ZINC001164717178 720199621 /nfs/dbraw/zinc/19/96/21/720199621.db2.gz UIIXTUNCIIEOKE-IBGZPJMESA-N 1 0 439.589 2.858 20 0 IFADRO Cn1nnc2c1CCN(c1ccc(-c3cccc(F)c3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713278 720199660 /nfs/dbraw/zinc/19/96/60/720199660.db2.gz ALOVSKWQAXVKAK-OAQYLSRUSA-N 1 0 437.523 2.627 20 0 IFADRO CSc1ccc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164718157 720203573 /nfs/dbraw/zinc/20/35/73/720203573.db2.gz XXLJQBRGQXYARQ-FQEVSTJZSA-N 1 0 439.589 2.696 20 0 IFADRO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)c1C(=O)OCC ZINC001164812139 720203982 /nfs/dbraw/zinc/20/39/82/720203982.db2.gz KXLSXGGKTAHFDF-UUOWRZLLSA-N 1 0 445.560 2.620 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cc1C(=O)OCC ZINC001164812937 720204070 /nfs/dbraw/zinc/20/40/70/720204070.db2.gz NIDPXARYKYBCLI-UUOWRZLLSA-N 1 0 445.560 2.620 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(NC(=O)OC(C)(C)C)ncn1)CCC2 ZINC001164815444 720214076 /nfs/dbraw/zinc/21/40/76/720214076.db2.gz ZIOIINWRNMMQET-UHFFFAOYSA-N 1 0 443.552 2.631 20 0 IFADRO CCOC(=O)c1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ccc1Cl ZINC001164812776 720232328 /nfs/dbraw/zinc/23/23/28/720232328.db2.gz ICKATDITMXYFSC-UHFFFAOYSA-N 1 0 433.940 2.719 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164814557 720238448 /nfs/dbraw/zinc/23/84/48/720238448.db2.gz YJKZAIQKCNCHBS-UHFFFAOYSA-N 1 0 435.528 2.829 20 0 IFADRO COc1ccccc1-c1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ncn1 ZINC001164812182 720238503 /nfs/dbraw/zinc/23/85/03/720238503.db2.gz CSCCTRFWEMYWGT-UHFFFAOYSA-N 1 0 434.544 2.959 20 0 IFADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821307 720294537 /nfs/dbraw/zinc/29/45/37/720294537.db2.gz JVFCWTSJTNVFBR-FGKJDPMHSA-N 1 0 426.561 2.569 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CSCC3)CC1 ZINC001164822671 720300092 /nfs/dbraw/zinc/30/00/92/720300092.db2.gz ODOLQSFIXZYNIA-ROUUACIJSA-N 1 0 436.025 2.831 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cncc(OCc3ccccc3)n2)CC1 ZINC001164818557 720302793 /nfs/dbraw/zinc/30/27/93/720302793.db2.gz AGWPHVQNWOUJGN-FCHUYYIVSA-N 1 0 435.572 2.967 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cncc(OCc3ccccc3)n2)CC1 ZINC001164818564 720303848 /nfs/dbraw/zinc/30/38/48/720303848.db2.gz AGWPHVQNWOUJGN-YADHBBJMSA-N 1 0 435.572 2.967 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccnc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001164828260 720309430 /nfs/dbraw/zinc/30/94/30/720309430.db2.gz ZMRQKTRMRDYETA-ZWKOTPCHSA-N 1 0 444.580 2.735 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164820080 720312116 /nfs/dbraw/zinc/31/21/16/720312116.db2.gz GRGYZIZASCXTTI-VXKWHMMOSA-N 1 0 436.556 2.933 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164822092 720312695 /nfs/dbraw/zinc/31/26/95/720312695.db2.gz MPYDVUCXRBZKSQ-FGZHOGPDSA-N 1 0 436.556 2.933 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1OCC ZINC001164823361 720317103 /nfs/dbraw/zinc/31/71/03/720317103.db2.gz AVUBMRACORPRQA-PMACEKPBSA-N 1 0 444.576 2.569 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(OCc3ccccc3)n2)CC1 ZINC001164831357 720317519 /nfs/dbraw/zinc/31/75/19/720317519.db2.gz RMCVOPWHBUALGQ-VXKWHMMOSA-N 1 0 435.572 2.967 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164830154 720320936 /nfs/dbraw/zinc/32/09/36/720320936.db2.gz OPIISMPIXXSLRX-MOPGFXCFSA-N 1 0 434.968 2.823 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cc2N)CC1 ZINC001164830757 720321070 /nfs/dbraw/zinc/32/10/70/720321070.db2.gz PTNNGNPIOIPHFC-IRXDYDNUSA-N 1 0 427.927 2.774 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164830170 720321097 /nfs/dbraw/zinc/32/10/97/720321097.db2.gz OPIISMPIXXSLRX-RTBURBONSA-N 1 0 434.968 2.823 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001164830164 720321219 /nfs/dbraw/zinc/32/12/19/720321219.db2.gz OPIISMPIXXSLRX-RBUKOAKNSA-N 1 0 434.968 2.823 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824759 720328337 /nfs/dbraw/zinc/32/83/37/720328337.db2.gz DDZKOGKICLMDOK-VXKWHMMOSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc(OCc3ccccc3)cn2)CC1 ZINC001164833430 720330709 /nfs/dbraw/zinc/33/07/09/720330709.db2.gz XDHLFLJYRFGMPS-YADHBBJMSA-N 1 0 435.572 2.967 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(N)c2)CC1 ZINC001164828916 720334766 /nfs/dbraw/zinc/33/47/66/720334766.db2.gz KOBHWUOFWKRETB-DLBZAZTESA-N 1 0 427.927 2.774 20 0 IFADRO COC(=O)c1ccc2cc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc2c1 ZINC001164829443 720335499 /nfs/dbraw/zinc/33/54/99/720335499.db2.gz MAJXWOBQRYEIEY-FCHUYYIVSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)COc2cncc(Cl)n2)CC1 ZINC001164828362 720341536 /nfs/dbraw/zinc/34/15/36/720341536.db2.gz OLDIIGVJFKBLLO-CVEARBPZSA-N 1 0 443.926 2.509 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc21 ZINC001164821752 720347505 /nfs/dbraw/zinc/34/75/05/720347505.db2.gz BRSKHTGGNYFLTA-YADHBBJMSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2ncn3-c2ccccc2)CC1 ZINC001164829411 720348718 /nfs/dbraw/zinc/34/87/18/720348718.db2.gz SDLWGOOVXIBZOI-SFTDATJTSA-N 1 0 445.571 2.727 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cncc(OCC3CCCC3)n2)CC1 ZINC001164829740 720352608 /nfs/dbraw/zinc/35/26/08/720352608.db2.gz UEPDAEVHOANUTL-RTWAWAEBSA-N 1 0 427.593 2.957 20 0 IFADRO COc1cc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(Cl)n1 ZINC001164823600 720354301 /nfs/dbraw/zinc/35/43/01/720354301.db2.gz HEUKLYFMIPCLMI-LSDHHAIUSA-N 1 0 443.926 2.595 20 0 IFADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164730168 720448160 /nfs/dbraw/zinc/44/81/60/720448160.db2.gz IDLNSAUPYUKOEI-PMACEKPBSA-N 1 0 429.590 2.797 20 0 IFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)C1 ZINC001164729966 720508577 /nfs/dbraw/zinc/50/85/77/720508577.db2.gz LKUDBKNKAHSAEI-CQSZACIVSA-N 1 0 425.915 2.670 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc2c1 ZINC001164834324 720518333 /nfs/dbraw/zinc/51/83/33/720518333.db2.gz FPFZQWDLJFXUMV-RZUBCFFCSA-N 1 0 434.544 2.991 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4cc5c(cc43)OCCO5)CC[C@@H]21 ZINC001164833796 720518881 /nfs/dbraw/zinc/51/88/81/720518881.db2.gz DRIHFGGIDUAYMS-WFXMLNOXSA-N 1 0 434.544 2.975 20 0 IFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)C1 ZINC001164731967 720522573 /nfs/dbraw/zinc/52/25/73/720522573.db2.gz BRBTVONRPXESRM-CQSZACIVSA-N 1 0 426.525 2.699 20 0 IFADRO CCOC(=O)c1sc2nc(C)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1C ZINC001164735200 720523530 /nfs/dbraw/zinc/52/35/30/720523530.db2.gz WDIMMGAGCMFEGV-HNNXBMFYSA-N 1 0 428.562 2.879 20 0 IFADRO COc1ccc(-c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nn2)c(OC)c1OC ZINC001164732071 720530253 /nfs/dbraw/zinc/53/02/53/720530253.db2.gz BXMFQOUJKWYRBR-INIZCTEOSA-N 1 0 438.532 2.564 20 0 IFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)COC(=O)Nc2cccnc2Cl)C1 ZINC001164734045 720532211 /nfs/dbraw/zinc/53/22/11/720532211.db2.gz GLODEMYQAOMXRW-CYBMUJFWSA-N 1 0 428.871 2.766 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ncc3N3CCOCC3)CC[C@@H]21 ZINC001164837423 720547962 /nfs/dbraw/zinc/54/79/62/720547962.db2.gz MOXYYVSSCLFYFL-FHWLQOOXSA-N 1 0 445.999 2.541 20 0 IFADRO CON(C)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838957 720551307 /nfs/dbraw/zinc/55/13/07/720551307.db2.gz OYPWKMSQMPPOOJ-GUDVDZBRSA-N 1 0 446.983 2.943 20 0 IFADRO COC(=O)c1cc2ccncc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842564 720553888 /nfs/dbraw/zinc/55/38/88/720553888.db2.gz YIGNYURBMFUCCV-XQBPLPMBSA-N 1 0 434.544 2.991 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)c(F)c4c3C(=O)NC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837986 720555967 /nfs/dbraw/zinc/55/59/67/720555967.db2.gz NCQNYRRBWZSUTQ-OFQRWUPVSA-N 1 0 432.931 2.692 20 0 IFADRO CCOc1ccc(C(=O)OC)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834205 720557695 /nfs/dbraw/zinc/55/76/95/720557695.db2.gz CSZIGQSUFQTOPT-NLWGTHIKSA-N 1 0 427.549 2.841 20 0 IFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728705 720562415 /nfs/dbraw/zinc/56/24/15/720562415.db2.gz LBJQOBOHGXLGDL-UHFFFAOYSA-N 1 0 439.894 2.922 20 0 IFADRO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838304 720582545 /nfs/dbraw/zinc/58/25/45/720582545.db2.gz KPVJCTZYCHEIOH-SFHLNBCPSA-N 1 0 426.565 2.598 20 0 IFADRO COC(=O)CSc1cccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836611 720585158 /nfs/dbraw/zinc/58/51/58/720585158.db2.gz FYMCIRRPKPPPPK-GUDVDZBRSA-N 1 0 429.590 2.921 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@@H]21 ZINC001164844103 720592787 /nfs/dbraw/zinc/59/27/87/720592787.db2.gz YPTQZQZJOJCJHG-ULQDDVLXSA-N 1 0 437.997 2.713 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1C ZINC001164838735 720595818 /nfs/dbraw/zinc/59/58/18/720595818.db2.gz LJKCWUJLVDYUMN-BRWVUGGUSA-N 1 0 428.972 2.899 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(Cn4ccccc4=O)cn3)CC[C@@H]21 ZINC001164839789 720612168 /nfs/dbraw/zinc/61/21/68/720612168.db2.gz OPBYVWLIHWIFCP-VABKMULXSA-N 1 0 432.572 2.866 20 0 IFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843247 720648018 /nfs/dbraw/zinc/64/80/18/720648018.db2.gz VTGBTOZMUGTRFT-ZJPYXAASSA-N 1 0 446.983 2.981 20 0 IFADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164844275 720650746 /nfs/dbraw/zinc/65/07/46/720650746.db2.gz ZWCOCXIOJYMLCD-ZIFCJYIRSA-N 1 0 445.999 2.844 20 0 IFADRO CCOc1cc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1OCC ZINC001164740147 720696986 /nfs/dbraw/zinc/69/69/86/720696986.db2.gz QKPAYXRIILNCSS-DLBZAZTESA-N 1 0 436.516 2.559 20 0 IFADRO CCOc1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OCC ZINC001164740153 720697108 /nfs/dbraw/zinc/69/71/08/720697108.db2.gz QKPAYXRIILNCSS-SJORKVTESA-N 1 0 436.516 2.559 20 0 IFADRO c1cn(Cc2ccccc2)c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164741953 720712077 /nfs/dbraw/zinc/71/20/77/720712077.db2.gz USJMNUBUTJBMMW-WOJBJXKFSA-N 1 0 427.512 2.612 20 0 IFADRO c1cn(Cc2ccccc2)c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164741951 720712227 /nfs/dbraw/zinc/71/22/27/720712227.db2.gz USJMNUBUTJBMMW-UXHICEINSA-N 1 0 427.512 2.612 20 0 IFADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164739451 720727508 /nfs/dbraw/zinc/72/75/08/720727508.db2.gz IQZNNGMRNLNHJP-HOCLYGCPSA-N 1 0 443.870 2.588 20 0 IFADRO F[C@@H](Oc1cncc(Cl)n1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164843101 720743219 /nfs/dbraw/zinc/74/32/19/720743219.db2.gz IMWIPDROJUYUGU-LJQANCHMSA-N 1 0 429.887 2.615 20 0 IFADRO [O-][n+]1ccc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)cc1Cl ZINC001164842945 720744034 /nfs/dbraw/zinc/74/40/34/720744034.db2.gz GJWHWWHYSMKGAM-UHFFFAOYSA-N 1 0 446.889 2.876 20 0 IFADRO COC(=O)c1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2C)cc1 ZINC001164738128 720750013 /nfs/dbraw/zinc/75/00/13/720750013.db2.gz DTXVIDFZXQYXKI-NHCUHLMSSA-N 1 0 445.523 2.976 20 0 IFADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164746707 720797256 /nfs/dbraw/zinc/79/72/56/720797256.db2.gz MSUVPDMUEZCVRY-IAGOWNOFSA-N 1 0 431.525 2.885 20 0 IFADRO COc1ccc(Oc2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc(C)n2)cc1 ZINC001164749246 720800350 /nfs/dbraw/zinc/80/03/50/720800350.db2.gz SOASXEGYYITPLT-PXNSSMCTSA-N 1 0 434.500 2.718 20 0 IFADRO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2COC[C@@H]21)C1CCC1 ZINC001164845919 720800554 /nfs/dbraw/zinc/80/05/54/720800554.db2.gz IDEYASDOEZXXLH-JRFVFWCSSA-N 1 0 432.568 2.760 20 0 IFADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1Cl ZINC001164742342 720813377 /nfs/dbraw/zinc/81/33/77/720813377.db2.gz CWALCNUARPYZQJ-MBOZVWFJSA-N 1 0 444.967 2.883 20 0 IFADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1Cl ZINC001164742345 720813415 /nfs/dbraw/zinc/81/34/15/720813415.db2.gz CWALCNUARPYZQJ-SQGPQFPESA-N 1 0 444.967 2.883 20 0 IFADRO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CSCC2 ZINC001164737659 720815737 /nfs/dbraw/zinc/81/57/37/720815737.db2.gz BIBLUZJRYKVXBY-GPMSIDNRSA-N 1 0 446.024 2.890 20 0 IFADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745983 720821942 /nfs/dbraw/zinc/82/19/42/720821942.db2.gz XQRGPQXWLYZJSH-SOLBZPMBSA-N 1 0 426.956 2.593 20 0 IFADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745986 720822242 /nfs/dbraw/zinc/82/22/42/720822242.db2.gz XQRGPQXWLYZJSH-XYJFISCASA-N 1 0 426.956 2.593 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(Cl)n1 ZINC001164745108 720822254 /nfs/dbraw/zinc/82/22/54/720822254.db2.gz WHDULFDHYKNAPM-IXDOHACOSA-N 1 0 437.926 2.954 20 0 IFADRO Clc1nc2ncsc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737681 720830268 /nfs/dbraw/zinc/83/02/68/720830268.db2.gz BVTVHDCZNFOQJX-SOUVJXGZSA-N 1 0 430.969 2.711 20 0 IFADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737921 720830565 /nfs/dbraw/zinc/83/05/65/720830565.db2.gz CKHMVPPNELWEEH-RLFYNMQTSA-N 1 0 437.926 2.833 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164748066 720834887 /nfs/dbraw/zinc/83/48/87/720834887.db2.gz SJAMRMPAMSQYQO-QHAWAJNXSA-N 1 0 438.576 2.846 20 0 IFADRO COc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746576 720835342 /nfs/dbraw/zinc/83/53/42/720835342.db2.gz ORSHUYBSVIRTJK-PWRODBHTSA-N 1 0 446.559 2.518 20 0 IFADRO COc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746574 720835494 /nfs/dbraw/zinc/83/54/94/720835494.db2.gz ORSHUYBSVIRTJK-NJDAHSKKSA-N 1 0 446.559 2.518 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740449 720837548 /nfs/dbraw/zinc/83/75/48/720837548.db2.gz BSMSVHVLLBTXBH-TXTKFYIRSA-N 1 0 446.555 2.992 20 0 IFADRO CCOC(=O)/C=C\c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164747439 720837652 /nfs/dbraw/zinc/83/76/52/720837652.db2.gz QNGICQMMPKGRJL-CDAQMUGSSA-N 1 0 436.560 2.629 20 0 IFADRO CCOC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1Cl ZINC001164748347 720841580 /nfs/dbraw/zinc/84/15/80/720841580.db2.gz UIVRWRKBHNSVGG-JENIJYKNSA-N 1 0 444.967 2.883 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)CC[C@@H]2C1 ZINC001164855510 720844236 /nfs/dbraw/zinc/84/42/36/720844236.db2.gz UDUCUGONCBCNLZ-GHMZBOCLSA-N 1 0 447.754 2.554 20 0 IFADRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccncc2)n1 ZINC001164751817 720845341 /nfs/dbraw/zinc/84/53/41/720845341.db2.gz YVCHFAUZUVDTBS-YPAWHYETSA-N 1 0 430.560 2.818 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)nn1 ZINC001164741191 720848520 /nfs/dbraw/zinc/84/85/20/720848520.db2.gz DTBARSBAAPKPJL-LZLYRXPVSA-N 1 0 437.926 2.954 20 0 IFADRO C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)C1 ZINC001164751874 720853401 /nfs/dbraw/zinc/85/34/01/720853401.db2.gz RGNYYJNOKQKZSL-ZHHKINOHSA-N 1 0 436.608 2.684 20 0 IFADRO C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncn2)C1 ZINC001164751873 720853456 /nfs/dbraw/zinc/85/34/56/720853456.db2.gz RGNYYJNOKQKZSL-RYFAJOAYSA-N 1 0 436.608 2.684 20 0 IFADRO CSc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(SC)n1 ZINC001164744844 720859699 /nfs/dbraw/zinc/85/96/99/720859699.db2.gz CLIBIGXBNLUOQU-GVDBMIGSSA-N 1 0 431.635 2.891 20 0 IFADRO COc1cc(OC)c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164752767 720859761 /nfs/dbraw/zinc/85/97/61/720859761.db2.gz UQLSWSPNOUGUMD-BBTUJRGHSA-N 1 0 449.559 2.618 20 0 IFADRO CCCSc1ncnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1OC ZINC001164747691 720859892 /nfs/dbraw/zinc/85/98/92/720859892.db2.gz JAXQMLNQPNHAKN-CEXWTWQISA-N 1 0 443.621 2.958 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC[C@H]2C1 ZINC001164860869 720870484 /nfs/dbraw/zinc/87/04/84/720870484.db2.gz WWLPJFPTUOLYKW-STQMWFEESA-N 1 0 425.307 2.588 20 0 IFADRO Cn1cnc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164754356 720878843 /nfs/dbraw/zinc/87/88/43/720878843.db2.gz RLRBIFUJIPPHJH-HYBUGGRVSA-N 1 0 433.560 2.513 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccncc4)nc4sccc43)CC[C@@H]2C1 ZINC001164861505 720885368 /nfs/dbraw/zinc/88/53/68/720885368.db2.gz PPUGDPNHOUAVMZ-IEBWSBKVSA-N 1 0 425.558 2.927 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)CC[C@@H]2C1 ZINC001164853873 720889630 /nfs/dbraw/zinc/88/96/30/720889630.db2.gz DHMVUUOJPJMSKY-TZMCWYRMSA-N 1 0 426.291 2.987 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC[C@@H]2C1 ZINC001164855083 720893122 /nfs/dbraw/zinc/89/31/22/720893122.db2.gz AIOZCAPEQLRANQ-CHWSQXEVSA-N 1 0 447.939 2.544 20 0 IFADRO c1cn(-c2cncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cn1 ZINC001164757118 720898956 /nfs/dbraw/zinc/89/89/56/720898956.db2.gz SPQKDJJIBNBBHO-WIOPSUGQSA-N 1 0 445.571 2.812 20 0 IFADRO Cc1ccc(C(N)=O)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164749755 720909079 /nfs/dbraw/zinc/90/90/79/720909079.db2.gz ILNOEZYGGIMLFJ-BWKNWUBXSA-N 1 0 435.572 2.639 20 0 IFADRO Cc1cc(C(N)=O)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752323 720932362 /nfs/dbraw/zinc/93/23/62/720932362.db2.gz NWYHGNYTWZDUEJ-DHLKQENFSA-N 1 0 435.572 2.639 20 0 IFADRO Cc1cc(C(N)=O)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752340 720934434 /nfs/dbraw/zinc/93/44/34/720934434.db2.gz NWYHGNYTWZDUEJ-WIOPSUGQSA-N 1 0 435.572 2.639 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)[C@@H]2C ZINC001164861206 720955489 /nfs/dbraw/zinc/95/54/89/720955489.db2.gz SDBXAKNVULRWMU-MRXNPFEDSA-N 1 0 433.560 2.981 20 0 IFADRO COC(=O)c1cc2c(OC)[nH]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)cc-2n1 ZINC001164860746 720959128 /nfs/dbraw/zinc/95/91/28/720959128.db2.gz ROUGCEQDQTYPRF-CQSZACIVSA-N 1 0 426.521 2.976 20 0 IFADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N(c2ccc(C[N@H+](C)C3CC3)cn2)C1 ZINC001164759056 721016573 /nfs/dbraw/zinc/01/65/73/721016573.db2.gz KEKZCLQETHGQDL-WTIAFYNJSA-N 1 0 435.572 2.713 20 0 IFADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)cc2C1 ZINC001164860353 721021633 /nfs/dbraw/zinc/02/16/33/721021633.db2.gz LOZWIKOEWILWSL-DLBZAZTESA-N 1 0 426.565 2.763 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)nc1 ZINC001164862011 721038462 /nfs/dbraw/zinc/03/84/62/721038462.db2.gz JWMMJIZCPFIMMI-NRFANRHFSA-N 1 0 436.560 2.821 20 0 IFADRO CCOC(=O)c1nc2ccccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870477 721052643 /nfs/dbraw/zinc/05/26/43/721052643.db2.gz VZNVJXUMRJSKIX-OALUTQOASA-N 1 0 433.512 2.681 20 0 IFADRO CCOC(=O)c1nc2ccccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870479 721052867 /nfs/dbraw/zinc/05/28/67/721052867.db2.gz VZNVJXUMRJSKIX-RBUKOAKNSA-N 1 0 433.512 2.681 20 0 IFADRO CC(C)(C)OC(=O)Nc1nccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867969 721070741 /nfs/dbraw/zinc/07/07/41/721070741.db2.gz LLSNDNSQKBAADB-ZWKOTPCHSA-N 1 0 426.521 2.698 20 0 IFADRO CCOC(=O)c1sc2ncnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164768509 721073503 /nfs/dbraw/zinc/07/35/03/721073503.db2.gz NMSPGLHFRWCKCK-IAGOWNOFSA-N 1 0 440.573 2.868 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4C(=O)NCc4ccccc4)C[C@@H]3C2)cn1 ZINC001164773095 721083946 /nfs/dbraw/zinc/08/39/46/721083946.db2.gz WATBHAFEDVUSIH-VXKWHMMOSA-N 1 0 430.556 2.703 20 0 IFADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1Cl ZINC001164769483 721097778 /nfs/dbraw/zinc/09/77/78/721097778.db2.gz ORNISCUMFJDIMQ-GJZGRUSLSA-N 1 0 439.894 2.758 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C[C@H]3C2)cn1 ZINC001164768127 721152235 /nfs/dbraw/zinc/15/22/35/721152235.db2.gz NJDBSSYTDQALLB-DLBZAZTESA-N 1 0 430.984 2.955 20 0 IFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164878468 721173702 /nfs/dbraw/zinc/17/37/02/721173702.db2.gz QDTJEJVKPURURF-YADHBBJMSA-N 1 0 444.539 2.912 20 0 IFADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164770697 721186330 /nfs/dbraw/zinc/18/63/30/721186330.db2.gz OEQFOJOKSNHGKN-HOCLYGCPSA-N 1 0 439.894 2.758 20 0 IFADRO COc1nnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868193 721188629 /nfs/dbraw/zinc/18/86/29/721188629.db2.gz KXKKLAWUZFCFEG-HUUCEWRRSA-N 1 0 425.867 2.558 20 0 IFADRO NC(=S)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2sccc21 ZINC001164868282 721192269 /nfs/dbraw/zinc/19/22/69/721192269.db2.gz LOUZYHCQANPBHD-JKSUJKDBSA-N 1 0 425.583 2.805 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C[C@@H]3C2)cn1 ZINC001164773338 721204531 /nfs/dbraw/zinc/20/45/31/721204531.db2.gz WIPKLNIXDHBLNZ-PMACEKPBSA-N 1 0 432.528 2.607 20 0 IFADRO COc1ccc(OC)c(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)c1 ZINC001164765750 721218105 /nfs/dbraw/zinc/21/81/05/721218105.db2.gz IFOJMDFGJJXDBA-MOPGFXCFSA-N 1 0 434.544 2.853 20 0 IFADRO COc1ccc(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)c(OC)c1 ZINC001164769198 721218252 /nfs/dbraw/zinc/21/82/52/721218252.db2.gz LVJDSDOUZMRHGQ-RBUKOAKNSA-N 1 0 434.544 2.853 20 0 IFADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@H]5OCCN(c6cnccn6)[C@H]5C4)ccc3C2)cc1 ZINC001164761925 721260923 /nfs/dbraw/zinc/26/09/23/721260923.db2.gz KJQAWKFADSLMMA-XZOQPEGZSA-N 1 0 428.540 2.524 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4cc(C(C)(C)C)sc43)CC2)C1 ZINC001164868902 721267008 /nfs/dbraw/zinc/26/70/08/721267008.db2.gz GGDMJPDBGHSGMJ-UHFFFAOYSA-N 1 0 445.633 2.996 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cccc(-c4cccc(Cl)n4)n3)CC2)C1 ZINC001164869842 721273623 /nfs/dbraw/zinc/27/36/23/721273623.db2.gz PWKNXTULBIJICZ-UHFFFAOYSA-N 1 0 443.979 2.804 20 0 IFADRO COc1ccc2nc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)cc(C)c2c1 ZINC001164870369 721274239 /nfs/dbraw/zinc/27/42/39/721274239.db2.gz XCIBQADQFKMSHN-UHFFFAOYSA-N 1 0 426.561 2.559 20 0 IFADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164872473 721283550 /nfs/dbraw/zinc/28/35/50/721283550.db2.gz DYRKDKKKBVROCV-UHFFFAOYSA-N 1 0 438.016 2.743 20 0 IFADRO Cc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(-c2ccsc2)n1 ZINC001164873781 721289041 /nfs/dbraw/zinc/28/90/41/721289041.db2.gz AETNXCPOHRQSNL-UHFFFAOYSA-N 1 0 429.590 2.521 20 0 IFADRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164776936 721324682 /nfs/dbraw/zinc/32/46/82/721324682.db2.gz HAFKGIFWECBDJI-UHFFFAOYSA-N 1 0 446.555 2.865 20 0 IFADRO C[NH+]1CCC(Oc2ccnc(N(c3ccccn3)c3ccnc([C@H]4COCCN4)n3)c2)CC1 ZINC001164877491 721329692 /nfs/dbraw/zinc/32/96/92/721329692.db2.gz UNNPXWPBXISWAD-HXUWFJFHSA-N 1 0 447.543 2.870 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@@]3(COCC(=O)N3CCCC3)C2)nc1 ZINC001164881789 721338922 /nfs/dbraw/zinc/33/89/22/721338922.db2.gz AWEOUQRWKCEOSI-SGIRGMQISA-N 1 0 442.604 2.720 20 0 IFADRO CCNC(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164781645 721365307 /nfs/dbraw/zinc/36/53/07/721365307.db2.gz KIDVBKCRZARFJU-HSZRJFAPSA-N 1 0 427.549 2.555 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3ncn4C3CC3)C2)C1 ZINC001164779997 721367654 /nfs/dbraw/zinc/36/76/54/721367654.db2.gz BTYFCQNNKBZCLS-QHCPKHFHSA-N 1 0 437.548 2.885 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ncn4C3CC3)C2)C1 ZINC001164779994 721367936 /nfs/dbraw/zinc/36/79/36/721367936.db2.gz BTYFCQNNKBZCLS-HSZRJFAPSA-N 1 0 437.548 2.885 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cncc(OCc5ccccc5)n4)C3)O2)CC1 ZINC001164884374 721393384 /nfs/dbraw/zinc/39/33/84/721393384.db2.gz AMTCVCODNXZGBS-RDGATRHJSA-N 1 0 437.588 2.821 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164888898 721404338 /nfs/dbraw/zinc/40/43/38/721404338.db2.gz PDLUIQHCFKQXNO-SQJMNOBHSA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)COc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164887776 721408935 /nfs/dbraw/zinc/40/89/35/721408935.db2.gz NKLFTNMLCVGWDC-UYAOXDASSA-N 1 0 444.954 2.968 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(C(=O)OC(C)(C)C)cn4)C3)O2)CC1 ZINC001164892971 721410333 /nfs/dbraw/zinc/41/03/33/721410333.db2.gz ZPIYNKQSRGXZLP-YKSBVNFPSA-N 1 0 430.593 2.802 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(C(=O)OC(C)(C)C)cn4)C3)O2)CC1 ZINC001164892968 721410361 /nfs/dbraw/zinc/41/03/61/721410361.db2.gz ZPIYNKQSRGXZLP-GBXCKJPGSA-N 1 0 430.593 2.802 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892397 721422488 /nfs/dbraw/zinc/42/24/88/721422488.db2.gz XYKDEQVUEQWCGE-UZUQRXQVSA-N 1 0 429.540 2.543 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892391 721422712 /nfs/dbraw/zinc/42/27/12/721422712.db2.gz XYKDEQVUEQWCGE-GAJHUEQPSA-N 1 0 429.540 2.543 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)[nH]c-2n1 ZINC001164885266 721424171 /nfs/dbraw/zinc/42/41/71/721424171.db2.gz GLIBBGYJDOHNEI-CYFREDJKSA-N 1 0 441.576 2.505 20 0 IFADRO CSc1nc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2s1 ZINC001164892406 721424636 /nfs/dbraw/zinc/42/46/36/721424636.db2.gz YAPHOUJDQRYHOV-FOIQADDNSA-N 1 0 434.635 2.574 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C3)O2)CC1 ZINC001164894308 721427980 /nfs/dbraw/zinc/42/79/80/721427980.db2.gz LLSUVIQCQMZAPI-KBXCAEBGSA-N 1 0 447.983 2.729 20 0 IFADRO COc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1 ZINC001164893006 721433047 /nfs/dbraw/zinc/43/30/47/721433047.db2.gz IOZWTWMIHBMQPZ-RCZVLFRGSA-N 1 0 437.588 2.918 20 0 IFADRO COc1ccccc1-c1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164898757 721434833 /nfs/dbraw/zinc/43/48/33/721434833.db2.gz WWIZNPMOZIIAEB-NBGIEHNGSA-N 1 0 437.588 2.918 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)nn1 ZINC001164893676 721436556 /nfs/dbraw/zinc/43/65/56/721436556.db2.gz JXSOTMZPFOZSRP-QFBILLFUSA-N 1 0 429.943 2.749 20 0 IFADRO COc1ccccc1-c1ccnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894944 721437827 /nfs/dbraw/zinc/43/78/27/721437827.db2.gz NRIUAKXIBMREKF-CJFMBICVSA-N 1 0 437.588 2.918 20 0 IFADRO COc1ccccc1-c1ccnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894945 721438139 /nfs/dbraw/zinc/43/81/39/721438139.db2.gz NRIUAKXIBMREKF-CPJSRVTESA-N 1 0 437.588 2.918 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ccc21 ZINC001164891494 721442718 /nfs/dbraw/zinc/44/27/18/721442718.db2.gz GRJLDCWFWYSORQ-UQBPGWFLSA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cncc(N5CCCCCC5)n4)C3)O2)CC1 ZINC001164894922 721443015 /nfs/dbraw/zinc/44/30/15/721443015.db2.gz NIEQTTVMOQARKZ-XUZZJYLKSA-N 1 0 428.625 2.622 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5c4ncn5-c4ccccc4)C3)O2)CC1 ZINC001164894370 721444935 /nfs/dbraw/zinc/44/49/35/721444935.db2.gz LWYNOWZKXPEZKR-PXDATVDWSA-N 1 0 447.587 2.581 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4ncn5-c4ccccc4)C3)O2)CC1 ZINC001164894361 721445050 /nfs/dbraw/zinc/44/50/50/721445050.db2.gz LWYNOWZKXPEZKR-BWKNWUBXSA-N 1 0 447.587 2.581 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(N3CCCC3)n1)CC2 ZINC001164790341 721447962 /nfs/dbraw/zinc/44/79/62/721447962.db2.gz YMFDHHNQJSEGNH-NRFANRHFSA-N 1 0 429.609 2.811 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)OC)c(OC)n1)CC2 ZINC001164790134 721452464 /nfs/dbraw/zinc/45/24/64/721452464.db2.gz WXACGHYVKXRANT-IBGZPJMESA-N 1 0 447.576 2.611 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cnc(F)cc31)CC2 ZINC001164784516 721455244 /nfs/dbraw/zinc/45/52/44/721455244.db2.gz FWHTYDCHAJMXLP-GOSISDBHSA-N 1 0 429.540 2.898 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)OC)c(F)cn1)CC2 ZINC001164790429 721455678 /nfs/dbraw/zinc/45/56/78/721455678.db2.gz YZWRWEYNXXDPGM-GOSISDBHSA-N 1 0 435.540 2.741 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1[C@@H](C)CC(=O)N3)CC2 ZINC001164782376 721460366 /nfs/dbraw/zinc/46/03/66/721460366.db2.gz ALZPMGHRMBHSDE-HKUYNNGSSA-N 1 0 443.592 2.656 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)cc(C(=O)OC)n1)CC2 ZINC001164790082 721462318 /nfs/dbraw/zinc/46/23/18/721462318.db2.gz ZOXBSMHYFFHFFN-FQEVSTJZSA-N 1 0 431.577 2.911 20 0 IFADRO CCNC(=O)c1cccnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164783621 721462818 /nfs/dbraw/zinc/46/28/18/721462818.db2.gz DVVVMQOSNKHPMW-HXUWFJFHSA-N 1 0 430.593 2.565 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1ncn3C1CC1)CC2 ZINC001164791179 721467928 /nfs/dbraw/zinc/46/79/28/721467928.db2.gz VBFJKDXEAJXXCZ-FQEVSTJZSA-N 1 0 440.592 2.895 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164789288 721470536 /nfs/dbraw/zinc/47/05/36/721470536.db2.gz MEFUPZAUXINTPK-FXAWDEMLSA-N 1 0 442.963 2.991 20 0 IFADRO CCOC(=O)Cc1ccnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1 ZINC001164791813 721472849 /nfs/dbraw/zinc/47/28/49/721472849.db2.gz ZQBUDSCJECJYLH-JOCHJYFZSA-N 1 0 445.604 2.921 20 0 IFADRO O=C(NC1CCC1)[C@H]1COC2(C1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164900243 721490072 /nfs/dbraw/zinc/49/00/72/721490072.db2.gz NSKPHBCIBLZFDA-LJQANCHMSA-N 1 0 428.577 2.600 20 0 IFADRO CCNS(=O)(=O)c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164796778 721500383 /nfs/dbraw/zinc/50/03/83/721500383.db2.gz XJTRGIOLPZEXIP-UHFFFAOYSA-N 1 0 429.590 2.656 20 0 IFADRO CCOC(=O)c1cnc(SC)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901754 721510421 /nfs/dbraw/zinc/51/04/21/721510421.db2.gz YNWMOXKKIVKQKX-RDJZCZTQSA-N 1 0 432.521 2.856 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc(Cc4ccccc4)n2)CC3)CC1 ZINC001164794090 721511824 /nfs/dbraw/zinc/51/18/24/721511824.db2.gz FEXSBKSZRHCCIQ-UHFFFAOYSA-N 1 0 437.979 2.685 20 0 IFADRO NC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164897948 721512622 /nfs/dbraw/zinc/51/26/22/721512622.db2.gz GYUIPIKVBGFLNS-UKRRQHHQSA-N 1 0 440.853 2.860 20 0 IFADRO C[C@H]1CCc2c(sc3ncnc(N4CCn5cc(CN6CC[NH+](C)CC6)nc5C4)c23)C1 ZINC001164794907 721513176 /nfs/dbraw/zinc/51/31/76/721513176.db2.gz YHORREXKADIXAK-INIZCTEOSA-N 1 0 437.617 2.780 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4cccc(Cl)c42)CC3)CC1 ZINC001164794213 721513784 /nfs/dbraw/zinc/51/37/84/721513784.db2.gz LAEGHJOEGFYSOA-UHFFFAOYSA-N 1 0 432.359 2.901 20 0 IFADRO Cc1cc2nc(Cl)c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc2cc1C ZINC001164799029 721515989 /nfs/dbraw/zinc/51/59/89/721515989.db2.gz VVADNJVQCYDYPX-UHFFFAOYSA-N 1 0 425.968 2.864 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncccc2OCc2ccc(F)cc2)CC3)CC1 ZINC001164795309 721520048 /nfs/dbraw/zinc/52/00/48/721520048.db2.gz MDZQDFXFCZQIJI-UHFFFAOYSA-N 1 0 436.535 2.764 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(SCc4ccccc4)ncn2)CC3)CC1 ZINC001164794458 721520564 /nfs/dbraw/zinc/52/05/64/721520564.db2.gz DKOWNNZURVKSDA-UHFFFAOYSA-N 1 0 435.601 2.733 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(C(F)F)nc4ccc(F)cc42)CC3)CC1 ZINC001164794434 721521366 /nfs/dbraw/zinc/52/13/66/721521366.db2.gz DCLOILCZWPNTNI-UHFFFAOYSA-N 1 0 431.466 2.671 20 0 IFADRO CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164809047 721542139 /nfs/dbraw/zinc/54/21/39/721542139.db2.gz UMCWCLYCYVTCIK-TUNNFDKTSA-N 1 0 442.995 2.860 20 0 IFADRO CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164809046 721542396 /nfs/dbraw/zinc/54/23/96/721542396.db2.gz UMCWCLYCYVTCIK-SJBKTWHCSA-N 1 0 442.995 2.860 20 0 IFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164904317 721554901 /nfs/dbraw/zinc/55/49/01/721554901.db2.gz DWIOGUUXVKSLLR-TZMCWYRMSA-N 1 0 438.841 2.984 20 0 IFADRO CCOC(=O)[C@@H]1CCc2nnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)cc2C1 ZINC001164905882 721568009 /nfs/dbraw/zinc/56/80/09/721568009.db2.gz HQTLTCHXMUKKRX-BSIFCXSSSA-N 1 0 440.519 2.626 20 0 IFADRO COC(=O)CSc1cccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164800858 721571460 /nfs/dbraw/zinc/57/14/60/721571460.db2.gz FTMYJRGZDBTZRS-FGSXEWAUSA-N 1 0 428.558 2.610 20 0 IFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cn3ccccc3=O)cn2)[C@H]2CCCO[C@@H]12 ZINC001164803420 721580772 /nfs/dbraw/zinc/58/07/72/721580772.db2.gz IAWITGCJPFAJLN-SGIRGMQISA-N 1 0 431.540 2.555 20 0 IFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907003 721587473 /nfs/dbraw/zinc/58/74/73/721587473.db2.gz QGSXNWSOLVFRRG-NRFANRHFSA-N 1 0 442.470 2.829 20 0 IFADRO COc1cccc(CN2C[C@@H]3CCN(c4cc(C[NH+](C)C)ccn4)CC[C@@H]3S2(=O)=O)c1 ZINC001164806813 721592811 /nfs/dbraw/zinc/59/28/11/721592811.db2.gz NALYNIDFUBZFDV-UNMCSNQZSA-N 1 0 444.601 2.582 20 0 IFADRO CN(C)c1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2nc[nH]c21 ZINC001164906217 721711818 /nfs/dbraw/zinc/71/18/18/721711818.db2.gz KXMCEZKDCUFNNR-HXUWFJFHSA-N 1 0 428.491 2.552 20 0 IFADRO CON(C)C(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907302 721718030 /nfs/dbraw/zinc/71/80/30/721718030.db2.gz QNNKSPFHLZNMGO-OAQYLSRUSA-N 1 0 431.487 2.848 20 0 IFADRO FC1(F)CCN(c2ccc(Cn3cncn3)cn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909690 721724613 /nfs/dbraw/zinc/72/46/13/721724613.db2.gz CZCHEUVJCYVAME-NRFANRHFSA-N 1 0 425.487 2.854 20 0 IFADRO COC(=O)c1ccc2nc(Cl)c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc2c1 ZINC001165008282 721730781 /nfs/dbraw/zinc/73/07/81/721730781.db2.gz LRFFRSUUKWPDIX-UHFFFAOYSA-N 1 0 445.951 2.593 20 0 IFADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010179 721738100 /nfs/dbraw/zinc/73/81/00/721738100.db2.gz FEVHMNXTVNUNPQ-UHFFFAOYSA-N 1 0 445.951 2.593 20 0 IFADRO CCOC(=O)c1cc2c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)[nH]c(C)c(C)c-2n1 ZINC001165010524 721740162 /nfs/dbraw/zinc/74/01/62/721740162.db2.gz NZIAOLRHFJDVJY-UHFFFAOYSA-N 1 0 441.576 2.879 20 0 IFADRO CN1c2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001165027468 721813767 /nfs/dbraw/zinc/81/37/67/721813767.db2.gz UVKMGIVNPQAUOC-KCLUMXDGSA-N 1 0 447.587 2.554 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3S(=O)(=O)CC4)C[C@@H]21 ZINC001165030160 721830988 /nfs/dbraw/zinc/83/09/88/721830988.db2.gz YBZBCCOGKQPNRX-QILLFSRXSA-N 1 0 447.992 2.592 20 0 IFADRO Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(C[N@@H+](C)C5CC5)cn4)CCO3)C2)cs1 ZINC001164921860 721832790 /nfs/dbraw/zinc/83/27/90/721832790.db2.gz MMRSEHXMMWUCFX-QHCPKHFHSA-N 1 0 443.617 2.549 20 0 IFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165020264 721839031 /nfs/dbraw/zinc/83/90/31/721839031.db2.gz HBHGWYLKCRIYQC-UHFFFAOYSA-N 1 0 439.516 2.814 20 0 IFADRO COC(=O)c1cc(OC)cnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021514 721840070 /nfs/dbraw/zinc/84/00/70/721840070.db2.gz NJOBBUWTVKPQLZ-UHFFFAOYSA-N 1 0 429.517 2.995 20 0 IFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccnc(-n3ccccc3=O)n2)CC1 ZINC001165022978 721843792 /nfs/dbraw/zinc/84/37/92/721843792.db2.gz UYTAEHJHANDWDO-UHFFFAOYSA-N 1 0 435.528 2.746 20 0 IFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C(=O)N(C)OC)ccn2)CC1 ZINC001165029752 721844314 /nfs/dbraw/zinc/84/43/14/721844314.db2.gz BJYJGRRFBYZRTE-UHFFFAOYSA-N 1 0 428.533 2.833 20 0 IFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C(N)=O)nc(C3CC3)n2)CC1 ZINC001165031187 721845309 /nfs/dbraw/zinc/84/53/09/721845309.db2.gz XFTSTJXNOYLDRE-UHFFFAOYSA-N 1 0 425.533 2.571 20 0 IFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(C(=O)NCc2ccccc2)cc(Cl)n1 ZINC001164923473 721854342 /nfs/dbraw/zinc/85/43/42/721854342.db2.gz APJRFTJKRWHBGF-WOJBJXKFSA-N 1 0 427.980 2.880 20 0 IFADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164926635 721873152 /nfs/dbraw/zinc/87/31/52/721873152.db2.gz SCYKMVJKYNPESZ-RBUKOAKNSA-N 1 0 433.597 2.572 20 0 IFADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CCC(C[NH+](C)C)CC2)C1=O ZINC001165045636 721947941 /nfs/dbraw/zinc/94/79/41/721947941.db2.gz SVPFXTLKCBVBDU-OAQYLSRUSA-N 1 0 438.979 2.795 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(S(=O)(=O)N(C)C)CC[C@@H]3C2)nc1 ZINC001164954760 721990113 /nfs/dbraw/zinc/99/01/13/721990113.db2.gz WSHJWMCVPBXARY-NJDAHSKKSA-N 1 0 435.638 2.583 20 0 IFADRO Cc1ccc2c(n1)N(Cc1cccnc1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164950582 722006309 /nfs/dbraw/zinc/00/63/09/722006309.db2.gz DDZZTUXTJKOIDR-UHFFFAOYSA-N 1 0 429.572 2.959 20 0 IFADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[NH+](CCc4ccccn4)CC3)c21 ZINC001165054480 722008295 /nfs/dbraw/zinc/00/82/95/722008295.db2.gz NOUQEHJWJMRRBT-UHFFFAOYSA-N 1 0 430.512 2.819 20 0 IFADRO c1ccc(CC[NH+]2CCN(c3ccc(-c4ccc(N5CCOCC5)cc4)nn3)CC2)nc1 ZINC001165055162 722019228 /nfs/dbraw/zinc/01/92/28/722019228.db2.gz KOMRUJPTFNEREZ-UHFFFAOYSA-N 1 0 430.556 2.740 20 0 IFADRO COC(=O)c1cc2c[nH]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cc-2n1 ZINC001164960734 722058836 /nfs/dbraw/zinc/05/88/36/722058836.db2.gz JWZZLPIAHKPWEV-UHFFFAOYSA-N 1 0 435.528 2.864 20 0 IFADRO O=C(c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1)N1CCCCC1 ZINC001164983400 722102024 /nfs/dbraw/zinc/10/20/24/722102024.db2.gz PXIHCQVXRFVDKN-GMAHTHKFSA-N 1 0 435.572 2.830 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2[nH]1 ZINC001164976383 722111111 /nfs/dbraw/zinc/11/11/11/722111111.db2.gz LMJLLJNMSUPMNE-PZJWPPBQSA-N 1 0 435.528 2.862 20 0 IFADRO COc1cc2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1OC ZINC001164980505 722113336 /nfs/dbraw/zinc/11/33/36/722113336.db2.gz RMMDKQCILFSYTG-JPYJTQIMSA-N 1 0 435.528 2.769 20 0 IFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971863 722116264 /nfs/dbraw/zinc/11/62/64/722116264.db2.gz CWRVKUFVNYBAHE-IRLDBZIGSA-N 1 0 447.539 2.929 20 0 IFADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977575 722126621 /nfs/dbraw/zinc/12/66/21/722126621.db2.gz NPLWRPZRVMBSNL-FCHUYYIVSA-N 1 0 445.571 2.727 20 0 IFADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)no1 ZINC001164982646 722139271 /nfs/dbraw/zinc/13/92/71/722139271.db2.gz RVLUKPRZHUAMRZ-FPOVZHCZSA-N 1 0 448.527 2.753 20 0 IFADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979745 722142147 /nfs/dbraw/zinc/14/21/47/722142147.db2.gz MCESPICWVGWFSD-GJZGRUSLSA-N 1 0 449.893 2.625 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(CNC(=O)C(C)C)nnc3C2)nc1 ZINC001164989868 722190343 /nfs/dbraw/zinc/19/03/43/722190343.db2.gz QSVHODOFPRFFAG-IBGZPJMESA-N 1 0 425.581 2.903 20 0 IFADRO CN1c2cnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2N2CCC[C@H]2C1=O ZINC001164996335 722200487 /nfs/dbraw/zinc/20/04/87/722200487.db2.gz UCUJVCYKJXKMMR-CYFREDJKSA-N 1 0 436.535 2.806 20 0 IFADRO CN1c2cnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2N2CCC[C@@H]2C1=O ZINC001164996338 722200536 /nfs/dbraw/zinc/20/05/36/722200536.db2.gz UCUJVCYKJXKMMR-DVECYGJZSA-N 1 0 436.535 2.806 20 0 IFADRO C[N@H+](Cc1ccc(N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1)C1CC1 ZINC001164998239 722219019 /nfs/dbraw/zinc/21/90/19/722219019.db2.gz HKCPCVXPCGNKSX-XMMPIXPASA-N 1 0 434.544 2.503 20 0 IFADRO C[NH+]1CCN(c2ccc(N3CCC4(CC3)C(=O)N(CC3CC3)[C@@H]4c3ccccc3)nn2)CC1 ZINC001164998334 722221078 /nfs/dbraw/zinc/22/10/78/722221078.db2.gz INVDEUOAOLSOQO-XMMPIXPASA-N 1 0 446.599 2.809 20 0 IFADRO COc1ccc([C@H]2[C@H](C(=O)NCC[NH+](C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004563170 536948142 /nfs/dbraw/zinc/94/81/42/536948142.db2.gz SSKATIMLJVUIDA-GGAORHGYSA-N 1 0 425.529 2.866 20 0 IFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000002649520 562929249 /nfs/dbraw/zinc/92/92/49/562929249.db2.gz KDYRBDIMIJPFEH-OAQYLSRUSA-N 1 0 427.526 2.791 20 0 IFADRO O=C1CN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)CC2(CC[NH2+]CC2)N1 ZINC001164394129 718809811 /nfs/dbraw/zinc/80/98/11/718809811.db2.gz YIEFRDHHIJSTOW-UHFFFAOYSA-N 1 0 425.842 2.539 20 0 IFADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCN5CC[NH2+]C[C@@H]5C3)n2)CCC4)CC1 ZINC001164401750 718839974 /nfs/dbraw/zinc/83/99/74/718839974.db2.gz AFDXXOGGGLJTFD-QGZVFWFLSA-N 1 0 426.634 2.506 20 0 IFADRO C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164409861 718863975 /nfs/dbraw/zinc/86/39/75/718863975.db2.gz VBXCNVRNPWYKEF-WMZOPIPTSA-N 1 0 427.618 2.981 20 0 IFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)n1 ZINC001164415994 718885682 /nfs/dbraw/zinc/88/56/82/718885682.db2.gz PJSXWDSLUREEGP-UHFFFAOYSA-N 1 0 440.621 2.840 20 0 IFADRO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3CCCO[C@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164419467 718899812 /nfs/dbraw/zinc/89/98/12/718899812.db2.gz ARMGOWROPHHSNP-WFXMLNOXSA-N 1 0 430.593 2.886 20 0 IFADRO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3CCCO[C@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164419463 718899911 /nfs/dbraw/zinc/89/99/11/718899911.db2.gz ARMGOWROPHHSNP-LQWHRVPQSA-N 1 0 430.593 2.886 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164432371 718968362 /nfs/dbraw/zinc/96/83/62/718968362.db2.gz GVKITJDYYIAPOV-OLZOCXBDSA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164434877 718968436 /nfs/dbraw/zinc/96/84/36/718968436.db2.gz WQZRVPHFMKTWLW-OLZOCXBDSA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164435067 718968480 /nfs/dbraw/zinc/96/84/80/718968480.db2.gz YIYCAEQGWVIZLD-OLZOCXBDSA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1nc(C)cc(Cl)n1)C2 ZINC001164434984 718968529 /nfs/dbraw/zinc/96/85/29/718968529.db2.gz WRMXIDYTGUFHRQ-KBPBESRZSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164434879 718969082 /nfs/dbraw/zinc/96/90/82/718969082.db2.gz WQZRVPHFMKTWLW-STQMWFEESA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(C)nnc1Cl)C2 ZINC001164431790 718970490 /nfs/dbraw/zinc/97/04/90/718970490.db2.gz BOPXATBSYAOPFB-KBPBESRZSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nnc1OC)C2 ZINC001164617127 719011342 /nfs/dbraw/zinc/01/13/42/719011342.db2.gz MMOQXWMICZADDQ-IFXJQAMLSA-N 1 0 444.910 2.833 20 0 IFADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164616377 719026785 /nfs/dbraw/zinc/02/67/85/719026785.db2.gz CKFGAPIGKNXFIE-UHFFFAOYSA-N 1 0 430.549 2.775 20 0 IFADRO COC(=O)C1CCN(c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)CC1 ZINC001164621943 719086020 /nfs/dbraw/zinc/08/60/20/719086020.db2.gz IMEICHJZFGMSAK-VXKWHMMOSA-N 1 0 435.572 2.967 20 0 IFADRO O=S(=O)(c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCCC1 ZINC001164624340 719087627 /nfs/dbraw/zinc/08/76/27/719087627.db2.gz FKLPBSUHUVXIMR-LEWJYISDSA-N 1 0 426.586 2.967 20 0 IFADRO O=S(=O)(c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1)N1CCCC1 ZINC001164626879 719097709 /nfs/dbraw/zinc/09/77/09/719097709.db2.gz JMRLXVQRMRFMOX-RBBKRZOGSA-N 1 0 426.586 2.967 20 0 IFADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001164630595 719134379 /nfs/dbraw/zinc/13/43/79/719134379.db2.gz JLEPOZQNICFILK-MRXNPFEDSA-N 1 0 435.862 2.785 20 0 IFADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164630988 719135738 /nfs/dbraw/zinc/13/57/38/719135738.db2.gz LXRORLGKASWVMQ-INIZCTEOSA-N 1 0 429.590 2.507 20 0 IFADRO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1 ZINC001164651042 719322162 /nfs/dbraw/zinc/32/21/62/719322162.db2.gz FKEZJPGQUKUVHU-XMMPIXPASA-N 1 0 437.519 2.858 20 0 IFADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164665349 719356052 /nfs/dbraw/zinc/35/60/52/719356052.db2.gz UUICTAGMRMCMGH-UHFFFAOYSA-N 1 0 429.572 2.858 20 0 IFADRO COC(=O)c1cc(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)cnc1Cl ZINC001164685993 719614303 /nfs/dbraw/zinc/61/43/03/719614303.db2.gz XKZCLAXXSLLXSP-UHFFFAOYSA-N 1 0 427.883 2.802 20 0 IFADRO COC(=O)c1ccc(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c(Cl)n1 ZINC001164683249 719619143 /nfs/dbraw/zinc/61/91/43/719619143.db2.gz RQFGUOIUWHNCOH-UHFFFAOYSA-N 1 0 427.883 2.802 20 0 IFADRO CC(C)N(C)Cc1nn(-c2ncnc3c2ncn3Cc2ccccc2F)c2c1CC[NH2+]C2 ZINC001164683090 719628042 /nfs/dbraw/zinc/62/80/42/719628042.db2.gz QLRFQFAWFJPWIB-UHFFFAOYSA-N 1 0 434.523 2.685 20 0 IFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc4c(cn3)NC(=O)C4)CC2)c2ccccc21 ZINC001164684457 719660628 /nfs/dbraw/zinc/66/06/28/719660628.db2.gz XMMVNDQLIYKFAP-LJQANCHMSA-N 1 0 447.583 2.670 20 0 IFADRO CCOc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684076 719664482 /nfs/dbraw/zinc/66/44/82/719664482.db2.gz WEFXLINSALBWPT-IBGZPJMESA-N 1 0 437.588 2.969 20 0 IFADRO COc1ncc(F)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680091 719666656 /nfs/dbraw/zinc/66/66/56/719666656.db2.gz BVNJGWFIRNUXGX-KRWDZBQOSA-N 1 0 441.551 2.718 20 0 IFADRO Cc1nc2nc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)ncc2[nH]1 ZINC001164680117 719674029 /nfs/dbraw/zinc/67/40/29/719674029.db2.gz CPMIFRZKFXMDER-GOSISDBHSA-N 1 0 447.587 2.706 20 0 IFADRO CNC(=O)c1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681516 719674159 /nfs/dbraw/zinc/67/41/59/719674159.db2.gz MJLBMEUEXOOCOD-FQEVSTJZSA-N 1 0 449.599 2.535 20 0 IFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc4c(nn3)CCOC4)CC2)c2ccccc21 ZINC001164687393 719681930 /nfs/dbraw/zinc/68/19/30/719681930.db2.gz SJTCNAQGNGKYLY-IBGZPJMESA-N 1 0 449.599 2.643 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164687305 719728332 /nfs/dbraw/zinc/72/83/32/719728332.db2.gz VVIGUZDETRLMDG-UHFFFAOYSA-N 1 0 434.903 2.637 20 0 IFADRO CCOC(=O)c1ccc(C(F)(F)N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)c(Cl)n1 ZINC001164686796 719737393 /nfs/dbraw/zinc/73/73/93/719737393.db2.gz SYLCBVHWQQQQEK-UHFFFAOYSA-N 1 0 444.910 2.637 20 0 IFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ccnn3C[C@@H](C(=O)NCCOC)C2)nc1 ZINC001164698171 719829492 /nfs/dbraw/zinc/82/94/92/719829492.db2.gz SGTHVWMEDGRVFF-UNMCSNQZSA-N 1 0 440.592 2.614 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001164810977 720074193 /nfs/dbraw/zinc/07/41/93/720074193.db2.gz MNAPQFFMLORQCX-AUUYWEPGSA-N 1 0 428.911 2.564 20 0 IFADRO Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cn1 ZINC001164709380 720078323 /nfs/dbraw/zinc/07/83/23/720078323.db2.gz DLOGIWNDLATETO-MSOLQXFVSA-N 1 0 448.905 2.774 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(N)=O)c(Cl)cn1)CC2 ZINC001164713005 720099429 /nfs/dbraw/zinc/09/94/29/720099429.db2.gz ZVSNYHMDHZOKMA-QGZVFWFLSA-N 1 0 429.952 2.736 20 0 IFADRO CCOC(=O)c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164712632 720102658 /nfs/dbraw/zinc/10/26/58/720102658.db2.gz XJHLXWDMLRWRRJ-IBGZPJMESA-N 1 0 425.533 2.556 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC(C)C)nn1)CC2 ZINC001164711691 720103980 /nfs/dbraw/zinc/10/39/80/720103980.db2.gz SOWZCZCEQRHUMV-FQEVSTJZSA-N 1 0 439.560 2.944 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(F)cc1C(N)=O)CC2 ZINC001164714197 720106393 /nfs/dbraw/zinc/10/63/93/720106393.db2.gz AMROWJWDPHZTTC-MRXNPFEDSA-N 1 0 447.942 2.876 20 0 IFADRO CCOC(=O)c1cc(C)nc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164719515 720107606 /nfs/dbraw/zinc/10/76/06/720107606.db2.gz XYQMHXQDBQXSDP-FQEVSTJZSA-N 1 0 439.560 2.864 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1ncn3C)CC2 ZINC001164714819 720111334 /nfs/dbraw/zinc/11/13/34/720111334.db2.gz CCAQJBCQJJVLBM-KRWDZBQOSA-N 1 0 441.967 2.919 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1F)CC2 ZINC001164719521 720112569 /nfs/dbraw/zinc/11/25/69/720112569.db2.gz YBDRVNGLELEMDP-IBGZPJMESA-N 1 0 428.508 2.910 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1N1CCOCC1)C2 ZINC001164812085 720112720 /nfs/dbraw/zinc/11/27/20/720112720.db2.gz OMAOXOAJZHLBDD-CJFMBICVSA-N 1 0 437.588 2.651 20 0 IFADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1C ZINC001164718585 720115578 /nfs/dbraw/zinc/11/55/78/720115578.db2.gz STRFLOLLMQERBM-HXUWFJFHSA-N 1 0 439.560 2.864 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1C(C)(C)C(=O)N3)CC2 ZINC001164711771 720136122 /nfs/dbraw/zinc/13/61/22/720136122.db2.gz KABOBUWPWLHBQD-GOSISDBHSA-N 1 0 436.560 2.609 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[nH]c(C(=O)OC)cc31)C2 ZINC001164809939 720136437 /nfs/dbraw/zinc/13/64/37/720136437.db2.gz IUOUSHIEDZZYPD-LHSJRXKWSA-N 1 0 433.940 2.583 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)C2 ZINC001164809158 720148217 /nfs/dbraw/zinc/14/82/17/720148217.db2.gz HKVBKJYVKFFLRE-KOSHJBKYSA-N 1 0 430.593 2.743 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(C(C)C)C3=O)C2 ZINC001164818871 720154633 /nfs/dbraw/zinc/15/46/33/720154633.db2.gz VCQUAJJRERWOAI-ZHRRBRCNSA-N 1 0 433.984 2.679 20 0 IFADRO Cn1nnc2c1CCN(c1nnc(Cl)c3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164711422 720170911 /nfs/dbraw/zinc/17/09/11/720170911.db2.gz BOURJXSNHFPBSN-SFHVURJKSA-N 1 0 427.940 2.628 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)C2 ZINC001164818695 720171569 /nfs/dbraw/zinc/17/15/69/720171569.db2.gz UCWLOWDSKPCBJU-UGSOOPFHSA-N 1 0 426.899 2.688 20 0 IFADRO Cn1nnc2c1CCN(c1nccc3c(Cl)ccnc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714676 720171664 /nfs/dbraw/zinc/17/16/64/720171664.db2.gz RKLLDDJPINQKCW-GOSISDBHSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3cccc(F)c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718216 720176383 /nfs/dbraw/zinc/17/63/83/720176383.db2.gz NRMWJHNKSYPMLR-KRWDZBQOSA-N 1 0 445.930 2.767 20 0 IFADRO CCc1c(Cl)nnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1CC ZINC001164717642 720183619 /nfs/dbraw/zinc/18/36/19/720183619.db2.gz LAMPJDCQOXHTBX-GOSISDBHSA-N 1 0 433.988 2.600 20 0 IFADRO COc1ccc2c(C)cc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2c1 ZINC001164718354 720188176 /nfs/dbraw/zinc/18/81/76/720188176.db2.gz OXRBZWFCOURAAY-QFIPXVFZSA-N 1 0 436.560 2.897 20 0 IFADRO Cc1nc(C2CC2)nc(Cl)c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164714014 720198847 /nfs/dbraw/zinc/19/88/47/720198847.db2.gz FRGVMPDIQFJWLM-KRWDZBQOSA-N 1 0 431.972 2.661 20 0 IFADRO Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(-c2cccs2)n1 ZINC001164717637 720199862 /nfs/dbraw/zinc/19/98/62/720199862.db2.gz VOMZQHGHPGHQKC-SFHVURJKSA-N 1 0 439.589 2.858 20 0 IFADRO Cc1nc(-c2ccccn2)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1C ZINC001164716694 720200567 /nfs/dbraw/zinc/20/05/67/720200567.db2.gz RSUCFUAIAATCPO-NRFANRHFSA-N 1 0 448.575 2.500 20 0 IFADRO Cn1nnc2c1CCN(c1nccnc1Oc1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716063 720201969 /nfs/dbraw/zinc/20/19/69/720201969.db2.gz OYUQADBYSBWMCA-FQEVSTJZSA-N 1 0 435.532 2.614 20 0 IFADRO Cn1nnc2c1CCN(c1ncc(F)c(-c3ccsc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717291 720205170 /nfs/dbraw/zinc/20/51/70/720205170.db2.gz ICSQTTXWNWSUNX-SFHVURJKSA-N 1 0 443.552 2.689 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812574 720230746 /nfs/dbraw/zinc/23/07/46/720230746.db2.gz GXVJVIUALYCEQS-UHFFFAOYSA-N 1 0 444.971 2.868 20 0 IFADRO COC(=O)c1ccc2cc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)ncc2c1 ZINC001164813846 720234625 /nfs/dbraw/zinc/23/46/25/720234625.db2.gz QAASGUQRXVMOBO-UHFFFAOYSA-N 1 0 435.528 2.829 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1C ZINC001164817946 720243971 /nfs/dbraw/zinc/24/39/71/720243971.db2.gz UXVQDSXQWIYGML-UHFFFAOYSA-N 1 0 433.940 2.637 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)Oc1ccnc(Cl)c1)CCC2 ZINC001164818558 720243990 /nfs/dbraw/zinc/24/39/90/720243990.db2.gz ZKHGVVULUBSSGM-UHFFFAOYSA-N 1 0 427.883 2.967 20 0 IFADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164819805 720286394 /nfs/dbraw/zinc/28/63/94/720286394.db2.gz SGEKDZXWEWYYGR-MSOLQXFVSA-N 1 0 434.968 2.823 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2CSCC3)CC1 ZINC001164822670 720300527 /nfs/dbraw/zinc/30/05/27/720300527.db2.gz ODOLQSFIXZYNIA-QZTJIDSGSA-N 1 0 436.025 2.831 20 0 IFADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826083 720302651 /nfs/dbraw/zinc/30/26/51/720302651.db2.gz VHFRCKKYEUVUBH-CVEARBPZSA-N 1 0 427.927 2.895 20 0 IFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(CC(=O)NC)C3)nc1 ZINC001164722370 720304478 /nfs/dbraw/zinc/30/44/78/720304478.db2.gz KREHRPBJJIDFKB-WIOPSUGQSA-N 1 0 443.636 2.683 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(Cl)n1 ZINC001164824495 720309456 /nfs/dbraw/zinc/30/94/56/720309456.db2.gz RDPZHVCXZWUSRH-HZPDHXFCSA-N 1 0 427.927 2.895 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2[nH]1 ZINC001164825082 720312701 /nfs/dbraw/zinc/31/27/01/720312701.db2.gz SIKONFZHVPPRSI-VQTJNVASSA-N 1 0 439.560 2.651 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c1 ZINC001164821576 720313802 /nfs/dbraw/zinc/31/38/02/720313802.db2.gz KUBNBXVRCJKGMO-YADHBBJMSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(C(=O)OC(C)(C)C)cn2)CC1 ZINC001164833779 720317577 /nfs/dbraw/zinc/31/75/77/720317577.db2.gz XPEKRTFVCOONKZ-VQTJNVASSA-N 1 0 428.577 2.948 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(C(=O)NC(C)(C)C)cn2)CC1 ZINC001164823307 720319436 /nfs/dbraw/zinc/31/94/36/720319436.db2.gz AKNRRGYBNXZOJC-VQTJNVASSA-N 1 0 427.593 2.521 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH]c-2n1 ZINC001164824653 720328609 /nfs/dbraw/zinc/32/86/09/720328609.db2.gz CPEBBLIMCIDVRV-UXHICEINSA-N 1 0 439.560 2.651 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(OCc3ccccc3)cn2)CC1 ZINC001164833429 720330733 /nfs/dbraw/zinc/33/07/33/720330733.db2.gz XDHLFLJYRFGMPS-VXKWHMMOSA-N 1 0 435.572 2.967 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)nn1 ZINC001164822284 720341124 /nfs/dbraw/zinc/34/11/24/720341124.db2.gz CZDOKSZAOJOMMI-IRXDYDNUSA-N 1 0 427.927 2.895 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164831104 720342294 /nfs/dbraw/zinc/34/22/94/720342294.db2.gz XOWRYVMMOCFSLL-FCHUYYIVSA-N 1 0 436.556 2.933 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164831111 720342549 /nfs/dbraw/zinc/34/25/49/720342549.db2.gz XOWRYVMMOCFSLL-YADHBBJMSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cncc(N3CCCCCC3)n2)CC1 ZINC001164822747 720347098 /nfs/dbraw/zinc/34/70/98/720347098.db2.gz FDCXNSWVVQYUTR-SFTDATJTSA-N 1 0 426.609 2.769 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cncc(N3CCCCCC3)n2)CC1 ZINC001164822746 720347511 /nfs/dbraw/zinc/34/75/11/720347511.db2.gz FDCXNSWVVQYUTR-RTWAWAEBSA-N 1 0 426.609 2.769 20 0 IFADRO COc1cc(OC)c2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164829329 720354010 /nfs/dbraw/zinc/35/40/10/720354010.db2.gz REYFSXQGKAVAHV-VQTJNVASSA-N 1 0 439.560 2.559 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc(C(N)=S)c3ccsc32)CC1 ZINC001164831631 720355265 /nfs/dbraw/zinc/35/52/65/720355265.db2.gz ZGJGXGFOQHSXJC-ROUUACIJSA-N 1 0 443.642 2.842 20 0 IFADRO O=S(=O)(c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1)N1CCCCC1 ZINC001164727145 720438642 /nfs/dbraw/zinc/43/86/42/720438642.db2.gz DDUARMXPIIMQMK-LEWJYISDSA-N 1 0 427.574 2.504 20 0 IFADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840750 720508519 /nfs/dbraw/zinc/50/85/19/720508519.db2.gz XJZATELEEBREJY-YQVWRLOYSA-N 1 0 444.605 2.950 20 0 IFADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164835377 720534825 /nfs/dbraw/zinc/53/48/25/720534825.db2.gz GZLUJXPBGIHPOT-FGTMMUONSA-N 1 0 446.983 2.810 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)c(F)c4c3C(=O)NC4)CC[C@@H]21 ZINC001164837987 720556391 /nfs/dbraw/zinc/55/63/91/720556391.db2.gz NCQNYRRBWZSUTQ-YCPHGPKFSA-N 1 0 432.931 2.692 20 0 IFADRO CCOC(=O)c1ncnc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839357 720591057 /nfs/dbraw/zinc/59/10/57/720591057.db2.gz NJLLHHAKVKCUMM-IXDOHACOSA-N 1 0 432.956 2.881 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CN(C)CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838173 720638027 /nfs/dbraw/zinc/63/80/27/720638027.db2.gz KGLCRTYGYONITN-ABSDTBQOSA-N 1 0 430.000 2.692 20 0 IFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(CN3C(=O)CCC3=O)cn1)CC2 ZINC001164840359 720701754 /nfs/dbraw/zinc/70/17/54/720701754.db2.gz DGOMBSGLPSVNQX-JOCHJYFZSA-N 1 0 448.567 2.991 20 0 IFADRO Clc1ncc(OCc2ccccc2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740067 720704268 /nfs/dbraw/zinc/70/42/68/720704268.db2.gz PLVFEQQNZGBNFD-QZTJIDSGSA-N 1 0 438.919 2.841 20 0 IFADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738997 720721509 /nfs/dbraw/zinc/72/15/09/720721509.db2.gz HKCGOLYXDDYIEG-CVEARBPZSA-N 1 0 432.862 2.960 20 0 IFADRO FC(F)(Oc1cnc(Cl)cn1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164845358 720744108 /nfs/dbraw/zinc/74/41/08/720744108.db2.gz ZWVYCCAAWASTGY-UHFFFAOYSA-N 1 0 447.877 2.912 20 0 IFADRO COC(=O)c1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2C)cc1 ZINC001164738136 720749749 /nfs/dbraw/zinc/74/97/49/720749749.db2.gz DTXVIDFZXQYXKI-SFTDATJTSA-N 1 0 445.523 2.976 20 0 IFADRO c1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164742852 720753524 /nfs/dbraw/zinc/75/35/24/720753524.db2.gz OOAHVAYBTMJKFQ-MOPGFXCFSA-N 1 0 431.544 2.752 20 0 IFADRO c1ccc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164742857 720754849 /nfs/dbraw/zinc/75/48/49/720754849.db2.gz OOAHVAYBTMJKFQ-RBUKOAKNSA-N 1 0 431.544 2.752 20 0 IFADRO c1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)nc1 ZINC001164737156 720760922 /nfs/dbraw/zinc/76/09/22/720760922.db2.gz AEWBCZKMNZMIOG-ROUUACIJSA-N 1 0 425.496 2.824 20 0 IFADRO O=C(OCc1ccccc1)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164744050 720776052 /nfs/dbraw/zinc/77/60/52/720776052.db2.gz QXGKQANVOIJGNH-NHCUHLMSSA-N 1 0 431.496 2.571 20 0 IFADRO COc1ccc(Oc2cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc(C)n2)cc1 ZINC001164749248 720800104 /nfs/dbraw/zinc/80/01/04/720800104.db2.gz SOASXEGYYITPLT-YLJYHZDGSA-N 1 0 434.500 2.718 20 0 IFADRO Clc1cccc(COc2cncc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164742380 720801450 /nfs/dbraw/zinc/80/14/50/720801450.db2.gz CYDJZMVYNPYKIK-OALUTQOASA-N 1 0 438.919 2.841 20 0 IFADRO Clc1cccc(COc2cncc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164742388 720801621 /nfs/dbraw/zinc/80/16/21/720801621.db2.gz CYDJZMVYNPYKIK-RTBURBONSA-N 1 0 438.919 2.841 20 0 IFADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164747001 720828993 /nfs/dbraw/zinc/82/89/93/720828993.db2.gz ZTONCUZZGMLCLO-NJDAHSKKSA-N 1 0 437.592 2.581 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c(OC)c1 ZINC001164747360 720833061 /nfs/dbraw/zinc/83/30/61/720833061.db2.gz QINRAHNATXSDOE-WAOWUJCRSA-N 1 0 449.559 2.618 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164748051 720834701 /nfs/dbraw/zinc/83/47/01/720834701.db2.gz SJAMRMPAMSQYQO-NJDAHSKKSA-N 1 0 438.576 2.846 20 0 IFADRO COc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746577 720835650 /nfs/dbraw/zinc/83/56/50/720835650.db2.gz ORSHUYBSVIRTJK-QHAWAJNXSA-N 1 0 446.559 2.518 20 0 IFADRO COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740451 720837251 /nfs/dbraw/zinc/83/72/51/720837251.db2.gz BSMSVHVLLBTXBH-ZRCGQRJVSA-N 1 0 446.555 2.992 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH]c-2n1 ZINC001164744709 720838977 /nfs/dbraw/zinc/83/89/77/720838977.db2.gz LHFNOVIVWXKUHT-IRFCIJBXSA-N 1 0 449.559 2.711 20 0 IFADRO CSc1nc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2s1 ZINC001164748822 720839140 /nfs/dbraw/zinc/83/91/40/720839140.db2.gz UYSCRZSYMXEBKD-BZUAXINKSA-N 1 0 442.618 2.779 20 0 IFADRO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748361 720841178 /nfs/dbraw/zinc/84/11/78/720841178.db2.gz UKQRHMJULAMOEU-ZTPLBAAYSA-N 1 0 436.560 2.547 20 0 IFADRO CCOC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1Cl ZINC001164748353 720841558 /nfs/dbraw/zinc/84/15/58/720841558.db2.gz UIVRWRKBHNSVGG-ZIFCJYIRSA-N 1 0 444.967 2.883 20 0 IFADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)c1Cl ZINC001164852571 720843785 /nfs/dbraw/zinc/84/37/85/720843785.db2.gz KYHDCUJWMLVDJT-HIFRSBDPSA-N 1 0 432.348 2.739 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)CC[C@H]2C1 ZINC001164855512 720844374 /nfs/dbraw/zinc/84/43/74/720844374.db2.gz UDUCUGONCBCNLZ-QWRGUYRKSA-N 1 0 447.754 2.554 20 0 IFADRO Nc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164745893 720844561 /nfs/dbraw/zinc/84/45/61/720844561.db2.gz OCIWEVJQFJHVJD-UWWQBHOKSA-N 1 0 437.926 2.833 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751849 720849520 /nfs/dbraw/zinc/84/95/20/720849520.db2.gz ZICUSRRZVMTEAM-ZRCGQRJVSA-N 1 0 446.555 2.992 20 0 IFADRO Fc1cccc(-c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164747938 720850805 /nfs/dbraw/zinc/85/08/05/720850805.db2.gz RZULHHDYVZSEQU-HMXCVIKNSA-N 1 0 434.523 2.649 20 0 IFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749599 720851489 /nfs/dbraw/zinc/85/14/89/720851489.db2.gz NUXPDHMOFJTQJO-QNWVGRARSA-N 1 0 430.560 2.818 20 0 IFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749587 720851600 /nfs/dbraw/zinc/85/16/00/720851600.db2.gz NUXPDHMOFJTQJO-FUPPJEDESA-N 1 0 430.560 2.818 20 0 IFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749592 720851817 /nfs/dbraw/zinc/85/18/17/720851817.db2.gz NUXPDHMOFJTQJO-MQSCRBSSSA-N 1 0 430.560 2.818 20 0 IFADRO CSc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(SC)n1 ZINC001164744839 720859691 /nfs/dbraw/zinc/85/96/91/720859691.db2.gz CLIBIGXBNLUOQU-BRWVUGGUSA-N 1 0 431.635 2.891 20 0 IFADRO Clc1nc2c(nc1N1CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)CCCC2 ZINC001164745519 720859737 /nfs/dbraw/zinc/85/97/37/720859737.db2.gz DVVYWCFCISHSOY-ABSDTBQOSA-N 1 0 427.984 2.980 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC[C@H]2C1 ZINC001164860867 720870434 /nfs/dbraw/zinc/87/04/34/720870434.db2.gz WWLPJFPTUOLYKW-QWHCGFSZSA-N 1 0 425.307 2.588 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC[C@H]2C1 ZINC001164864546 720878531 /nfs/dbraw/zinc/87/85/31/720878531.db2.gz WARYEZJOHRVTLJ-FXAWDEMLSA-N 1 0 436.984 2.535 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)CC[C@H]2C1 ZINC001164864608 720880020 /nfs/dbraw/zinc/88/00/20/720880020.db2.gz WCPUPRMFFCFSSW-VXKWHMMOSA-N 1 0 425.529 2.612 20 0 IFADRO CN(C)C(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164749779 720884979 /nfs/dbraw/zinc/88/49/79/720884979.db2.gz APTBEEGORDBZLF-JYFHCDHNSA-N 1 0 449.599 2.934 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)nc4sccc43)CC[C@@H]2C1 ZINC001164858653 720885263 /nfs/dbraw/zinc/88/52/63/720885263.db2.gz LPVXBRCTSFNJBA-APWZRJJASA-N 1 0 425.558 2.927 20 0 IFADRO Cc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C(N)=O ZINC001164754438 720885628 /nfs/dbraw/zinc/88/56/28/720885628.db2.gz IXHWTOJFNISFDN-BWKNWUBXSA-N 1 0 435.572 2.639 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)CC[C@@H]2C1 ZINC001164855099 720887290 /nfs/dbraw/zinc/88/72/90/720887290.db2.gz GILLVJNGEYMPOJ-UYAOXDASSA-N 1 0 432.952 2.883 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)CC[C@@H]2C1 ZINC001164853872 720889447 /nfs/dbraw/zinc/88/94/47/720889447.db2.gz DHMVUUOJPJMSKY-OCCSQVGLSA-N 1 0 426.291 2.987 20 0 IFADRO Cc1nc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2[nH]1 ZINC001164752669 720898754 /nfs/dbraw/zinc/89/87/54/720898754.db2.gz FQFHXUKYWVZQFF-GBXCKJPGSA-N 1 0 433.560 2.763 20 0 IFADRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc4c(nn2)CCOC4)C3)c1 ZINC001164750176 720929497 /nfs/dbraw/zinc/92/94/97/720929497.db2.gz JOZBUYCOPKFQEB-RCZVLFRGSA-N 1 0 435.572 2.699 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3scnc3c(N3CCOCC3)n1)[C@@H]2C ZINC001164859138 720944684 /nfs/dbraw/zinc/94/46/84/720944684.db2.gz KQDLOCVMZYCIFY-OAHLLOKOSA-N 1 0 442.593 2.541 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164750931 720953760 /nfs/dbraw/zinc/95/37/60/720953760.db2.gz MVMNDLYPXLVHDY-UHFFFAOYSA-N 1 0 435.315 2.779 20 0 IFADRO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]12 ZINC001164756789 720990718 /nfs/dbraw/zinc/99/07/18/720990718.db2.gz LERILDDBXWDMNL-GPXNEJASSA-N 1 0 449.599 2.752 20 0 IFADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2ccc(C[N@H+](C)C3CC3)cn2)C1 ZINC001164759055 721016404 /nfs/dbraw/zinc/01/64/04/721016404.db2.gz KEKZCLQETHGQDL-UEVCKROQSA-N 1 0 435.572 2.713 20 0 IFADRO CCOC(=O)[C@H]1CCc2nnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)cc2C1 ZINC001164860355 721022334 /nfs/dbraw/zinc/02/23/34/721022334.db2.gz LOZWIKOEWILWSL-IRXDYDNUSA-N 1 0 426.565 2.763 20 0 IFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868834 721059897 /nfs/dbraw/zinc/05/98/97/721059897.db2.gz QXZOAOSXUWISHA-CVEARBPZSA-N 1 0 438.910 2.616 20 0 IFADRO CC(C)(C)OC(=O)Nc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164871506 721061169 /nfs/dbraw/zinc/06/11/69/721061169.db2.gz ZJEXUFXDUFEWNJ-ROUUACIJSA-N 1 0 426.521 2.698 20 0 IFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867377 721085623 /nfs/dbraw/zinc/08/56/23/721085623.db2.gz YGBIRVTZZBGHNS-PMACEKPBSA-N 1 0 433.512 2.681 20 0 IFADRO CCOC(=O)c1cc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2s1 ZINC001164864847 721114887 /nfs/dbraw/zinc/11/48/87/721114887.db2.gz GVVVXOWGVIRTBK-DLBZAZTESA-N 1 0 439.541 2.743 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865804 721119078 /nfs/dbraw/zinc/11/90/78/721119078.db2.gz PQDXWWCRHGLDQV-IRXDYDNUSA-N 1 0 427.940 2.935 20 0 IFADRO COC(=O)c1cc2c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164865454 721119096 /nfs/dbraw/zinc/11/90/96/721119096.db2.gz LLGXUMVTOZIOPB-CVEARBPZSA-N 1 0 441.919 2.878 20 0 IFADRO COc1nc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879892 721129968 /nfs/dbraw/zinc/12/99/68/721129968.db2.gz VBQYGHHGHYMJOW-CABCVRRESA-N 1 0 425.867 2.558 20 0 IFADRO COC(=O)c1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2ccccc2c1OC ZINC001164875397 721167709 /nfs/dbraw/zinc/16/77/09/721167709.db2.gz LHZSCPHIRPXKGG-MOPGFXCFSA-N 1 0 448.523 2.905 20 0 IFADRO COC(=O)c1cc2c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164773841 721171248 /nfs/dbraw/zinc/17/12/48/721171248.db2.gz XJNRYKLHXJXFNP-LSDHHAIUSA-N 1 0 428.924 2.695 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)C[C@H]3C2)cn1 ZINC001164767810 721181774 /nfs/dbraw/zinc/18/17/74/721181774.db2.gz KPSWLRSICKZFDP-HUUCEWRRSA-N 1 0 433.894 2.915 20 0 IFADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164770701 721184812 /nfs/dbraw/zinc/18/48/12/721184812.db2.gz OEQFOJOKSNHGKN-ZBFHGGJFSA-N 1 0 439.894 2.758 20 0 IFADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164770689 721185912 /nfs/dbraw/zinc/18/59/12/721185912.db2.gz OEQFOJOKSNHGKN-GDBMZVCRSA-N 1 0 439.894 2.758 20 0 IFADRO COc1nnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868189 721189117 /nfs/dbraw/zinc/18/91/17/721189117.db2.gz KXKKLAWUZFCFEG-CABCVRRESA-N 1 0 425.867 2.558 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CCc5ccccc54)C[C@H]3C2)cn1 ZINC001164771474 721195822 /nfs/dbraw/zinc/19/58/22/721195822.db2.gz QIPQNPAYZCPBCI-FCHUYYIVSA-N 1 0 442.567 2.976 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C[C@@H]3C2)cn1 ZINC001164773339 721203345 /nfs/dbraw/zinc/20/33/45/721203345.db2.gz WIPKLNIXDHBLNZ-UXHICEINSA-N 1 0 432.528 2.607 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3N(c4ncccn4)CCC[C@@]3(C(=O)NC)C2)nc1 ZINC001164867875 721208711 /nfs/dbraw/zinc/20/87/11/721208711.db2.gz IWSOCXFFSORUEV-TYBLODHISA-N 1 0 449.603 2.640 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C[C@H]3C2)cn1 ZINC001164764942 721216460 /nfs/dbraw/zinc/21/64/60/721216460.db2.gz HHEBUCSYFJRDML-NHCUHLMSSA-N 1 0 446.555 2.997 20 0 IFADRO COc1cccc2c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)cc(Cl)nc12 ZINC001164876081 721261378 /nfs/dbraw/zinc/26/13/78/721261378.db2.gz NRVDVNSNYQCXPG-UHFFFAOYSA-N 1 0 446.979 2.904 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CCc4c(COCc5ccccn5)cncc4C3)n2)CC1 ZINC001164765212 721270348 /nfs/dbraw/zinc/27/03/48/721270348.db2.gz JJIZINIQRLUMDX-UHFFFAOYSA-N 1 0 430.556 2.903 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc(-c4c[nH]c5ccccc54)n3)CC2)C1 ZINC001164869905 721272617 /nfs/dbraw/zinc/27/26/17/721272617.db2.gz TYIBXNXBDGXZNY-UHFFFAOYSA-N 1 0 448.571 2.632 20 0 IFADRO c1ncn2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@@H](COc1cccnc1)C2 ZINC001164770695 721275366 /nfs/dbraw/zinc/27/53/66/721275366.db2.gz WZFWSGRHIYFLDP-HXUWFJFHSA-N 1 0 434.544 2.863 20 0 IFADRO CCc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)nn2)cc1 ZINC001164873806 721288069 /nfs/dbraw/zinc/28/80/69/721288069.db2.gz BBNVCKAUFQAXCP-UHFFFAOYSA-N 1 0 437.588 2.713 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)Sc3ccc(Cl)nc3)CC2)C1 ZINC001164877136 721293237 /nfs/dbraw/zinc/29/32/37/721293237.db2.gz LDIJGFUTBNJHQY-UHFFFAOYSA-N 1 0 448.967 2.880 20 0 IFADRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164776076 721324544 /nfs/dbraw/zinc/32/45/44/721324544.db2.gz BRYFHTOQKFXWFV-UHFFFAOYSA-N 1 0 446.555 2.865 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CCC4(C[C@@H](Oc5ncccc5F)CO4)CC3)n2)CC1 ZINC001164776592 721326554 /nfs/dbraw/zinc/32/65/54/721326554.db2.gz GRIXHSCYNJIUQK-GOSISDBHSA-N 1 0 427.524 2.574 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4nc[nH]c43)C2)C1 ZINC001164778611 721333175 /nfs/dbraw/zinc/33/31/75/721333175.db2.gz XTHZYNKWUAQMFJ-HXUWFJFHSA-N 1 0 431.928 2.730 20 0 IFADRO CCOC(=O)Cc1cccnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777973 721337934 /nfs/dbraw/zinc/33/79/34/721337934.db2.gz ROXHONCXDATVEQ-XMMPIXPASA-N 1 0 442.560 2.911 20 0 IFADRO CCOC(=O)Cc1cccnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777972 721338796 /nfs/dbraw/zinc/33/87/96/721338796.db2.gz ROXHONCXDATVEQ-DEOSSOPVSA-N 1 0 442.560 2.911 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+][n-]c(Cl)c4ncnc3-4)C2)C1 ZINC001164780000 721358192 /nfs/dbraw/zinc/35/81/92/721358192.db2.gz BVXCMIJTJPPBLT-FQEVSTJZSA-N 1 0 431.928 2.730 20 0 IFADRO c1cc(N2CCOCC2)cn2nc(C3CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)nc12 ZINC001164881592 721361786 /nfs/dbraw/zinc/36/17/86/721361786.db2.gz FEYKCULKNMZOJN-UHFFFAOYSA-N 1 0 447.587 2.941 20 0 IFADRO CCn1cnc2c1ncnc2N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164780224 721366176 /nfs/dbraw/zinc/36/61/76/721366176.db2.gz DILICRBSMAOWHM-QFIPXVFZSA-N 1 0 425.537 2.570 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CCO[C@@]4(CCC[C@H]4COCc4ccncc4)C3)n2)CC1 ZINC001164779611 721385391 /nfs/dbraw/zinc/38/53/91/721385391.db2.gz BEKNRPIPPGZKIH-DHLKQENFSA-N 1 0 437.588 2.821 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CSCC5)C3)O2)CC1 ZINC001164887766 721389299 /nfs/dbraw/zinc/38/92/99/721389299.db2.gz IFLQFISRHDOEPY-KKSFZXQISA-N 1 0 438.041 2.685 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nnc(Cl)cc4-c4ccncc4)C3)O2)CC1 ZINC001164894079 721389667 /nfs/dbraw/zinc/38/96/67/721389667.db2.gz XHJUQTROZURUFM-CVDCTZTESA-N 1 0 442.995 2.957 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4COC5(C)C)C3)O2)CC1 ZINC001164892927 721398314 /nfs/dbraw/zinc/39/83/14/721398314.db2.gz URVOLAQIMFZUKO-ZHRRBRCNSA-N 1 0 436.000 2.661 20 0 IFADRO CSc1nc2c(c(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)n1)CCCC2 ZINC001164892919 721407554 /nfs/dbraw/zinc/40/75/54/721407554.db2.gz ZFQQNSBYXOUVDS-JPYJTQIMSA-N 1 0 431.650 2.843 20 0 IFADRO CSc1nc2c(c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)n1)CCCC2 ZINC001164892925 721407671 /nfs/dbraw/zinc/40/76/71/721407671.db2.gz ZFQQNSBYXOUVDS-WZONZLPQSA-N 1 0 431.650 2.843 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)COc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164887772 721409003 /nfs/dbraw/zinc/40/90/03/721409003.db2.gz NKLFTNMLCVGWDC-ICSRJNTNSA-N 1 0 444.954 2.968 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164885796 721416661 /nfs/dbraw/zinc/41/66/61/721416661.db2.gz HJEYTEIDMTYOOB-YWZLYKJASA-N 1 0 437.013 2.814 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164884641 721419694 /nfs/dbraw/zinc/41/96/94/721419694.db2.gz FHAFHYJUVHTKHN-GBXCKJPGSA-N 1 0 430.593 2.641 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)COc4cccc(Cl)n4)C3)O2)CC1 ZINC001164886510 721421096 /nfs/dbraw/zinc/42/10/96/721421096.db2.gz JIVNMZJMJRFMNZ-FXAWDEMLSA-N 1 0 444.954 2.968 20 0 IFADRO COC(=O)c1ccc2cc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ncc2c1 ZINC001164898718 721430906 /nfs/dbraw/zinc/43/09/06/721430906.db2.gz WRKYPURPLLQMHL-WIOPSUGQSA-N 1 0 438.572 2.787 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)nn1 ZINC001164893677 721436275 /nfs/dbraw/zinc/43/62/75/721436275.db2.gz JXSOTMZPFOZSRP-VQIMIIECSA-N 1 0 429.943 2.749 20 0 IFADRO Cc1nc(-c2ccccn2)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164893695 721442197 /nfs/dbraw/zinc/44/21/97/721442197.db2.gz JZNZIVSJJHGHIF-BWKNWUBXSA-N 1 0 436.604 2.921 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cncc(N5CCCCCC5)n4)C3)O2)CC1 ZINC001164894923 721442650 /nfs/dbraw/zinc/44/26/50/721442650.db2.gz NIEQTTVMOQARKZ-ZJSXRUAMSA-N 1 0 428.625 2.622 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164890867 721447810 /nfs/dbraw/zinc/44/78/10/721447810.db2.gz SUMQPLFXNVMLSS-PKOBYXMFSA-N 1 0 430.927 2.925 20 0 IFADRO CCCSc1ncnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1OC ZINC001164892725 721451000 /nfs/dbraw/zinc/45/10/00/721451000.db2.gz XMDABGZHCKVMMC-GCJKJVERSA-N 1 0 435.638 2.753 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)ncc1OC)CC2 ZINC001164787828 721452176 /nfs/dbraw/zinc/45/21/76/721452176.db2.gz QWAMFEQHAWMHOX-SFHVURJKSA-N 1 0 436.622 2.941 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)OC)c(OC)n1)CC2 ZINC001164790135 721452785 /nfs/dbraw/zinc/45/27/85/721452785.db2.gz WXACGHYVKXRANT-LJQANCHMSA-N 1 0 447.576 2.611 20 0 IFADRO CCOC(=O)c1cc(C)nc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164789279 721455096 /nfs/dbraw/zinc/45/50/96/721455096.db2.gz UJZUOHZQRGPOAL-FQEVSTJZSA-N 1 0 446.592 2.696 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1COC3)CC2 ZINC001164785283 721455272 /nfs/dbraw/zinc/45/52/72/721455272.db2.gz IDGFBRHGWXHDCZ-QGZVFWFLSA-N 1 0 436.984 2.894 20 0 IFADRO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1 ZINC001164891356 721455486 /nfs/dbraw/zinc/45/54/86/721455486.db2.gz UMHNVLHPGQQGDU-SGNDLWITSA-N 1 0 432.568 2.902 20 0 IFADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1C ZINC001164789917 721459126 /nfs/dbraw/zinc/45/91/26/721459126.db2.gz YMLPYFZQJKBNPN-HXUWFJFHSA-N 1 0 446.592 2.696 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1[C@@H](C)CC(=O)N3)CC2 ZINC001164782390 721460509 /nfs/dbraw/zinc/46/05/09/721460509.db2.gz ALZPMGHRMBHSDE-PKOBYXMFSA-N 1 0 443.592 2.656 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(C)C)nc(N(C)C)n1)CC2 ZINC001164784382 721462307 /nfs/dbraw/zinc/46/23/07/721462307.db2.gz HTGAJHKBYDINCM-FQEVSTJZSA-N 1 0 446.640 2.795 20 0 IFADRO CCCNC(=O)c1cccnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164786321 721467455 /nfs/dbraw/zinc/46/74/55/721467455.db2.gz AULUHCOJYCCHRH-NRFANRHFSA-N 1 0 444.620 2.955 20 0 IFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)CC2 ZINC001164793356 721489285 /nfs/dbraw/zinc/48/92/85/721489285.db2.gz QTBAIXLZTBLAEL-UHFFFAOYSA-N 1 0 435.981 2.810 20 0 IFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164792171 721490645 /nfs/dbraw/zinc/49/06/45/721490645.db2.gz HQKWMURUGMRUPN-UHFFFAOYSA-N 1 0 435.572 2.830 20 0 IFADRO CCOC(=O)c1cnc(OC)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792995 721494860 /nfs/dbraw/zinc/49/48/60/721494860.db2.gz XVYHSDFOPUQZPI-UHFFFAOYSA-N 1 0 425.533 2.938 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)ncc2C(=O)OC(C)(C)C)CC3)CC1 ZINC001164799235 721515777 /nfs/dbraw/zinc/51/57/77/721515777.db2.gz ZPSKVVZSHQWDRD-UHFFFAOYSA-N 1 0 446.983 2.654 20 0 IFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH]1 ZINC001164908804 721542256 /nfs/dbraw/zinc/54/22/56/721542256.db2.gz QQKFEIWJMMRONU-HIFRSBDPSA-N 1 0 445.882 2.879 20 0 IFADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)C1=O ZINC001164903364 721549989 /nfs/dbraw/zinc/54/99/89/721549989.db2.gz CFIZDYQRXXZUCY-NVXWUHKLSA-N 1 0 445.926 2.975 20 0 IFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)CC[N@@H+]3C2)c1 ZINC001164904713 721554001 /nfs/dbraw/zinc/55/40/01/721554001.db2.gz FKYLQCGEROEHCY-GXTWGEPZSA-N 1 0 438.841 2.984 20 0 IFADRO O=C(NC1CCCC1)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164909945 721559456 /nfs/dbraw/zinc/55/94/56/721559456.db2.gz VULWGUUPSIBYLR-AZUAARDMSA-N 1 0 425.508 2.630 20 0 IFADRO CCCNC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909253 721567545 /nfs/dbraw/zinc/56/75/45/721567545.db2.gz UBVWPOUNGXALSD-DOTOQJQBSA-N 1 0 433.915 2.751 20 0 IFADRO COC(=O)CSc1cccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164800869 721571630 /nfs/dbraw/zinc/57/16/30/721571630.db2.gz FTMYJRGZDBTZRS-NPPFBWRTSA-N 1 0 428.558 2.610 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@H]32)nc1 ZINC001164798615 721596603 /nfs/dbraw/zinc/59/66/03/721596603.db2.gz KOTYMIFMUWICCM-CZYKHXBRSA-N 1 0 428.577 2.614 20 0 IFADRO Cc1cccc(CN2CCO[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3C2=O)n1 ZINC001164799940 721603049 /nfs/dbraw/zinc/60/30/49/721603049.db2.gz LBCUDHCWEKBUNU-DHIUTWEWSA-N 1 0 435.572 2.635 20 0 IFADRO Cc1cccc(CN2CCO[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@@H]3C2=O)n1 ZINC001164804150 721603230 /nfs/dbraw/zinc/60/32/30/721603230.db2.gz XNMMUJIBQPTLJT-XZOQPEGZSA-N 1 0 435.572 2.635 20 0 IFADRO CCOC(=O)Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164906250 721709141 /nfs/dbraw/zinc/70/91/41/721709141.db2.gz LQXQYYTZYDFMHL-OAQYLSRUSA-N 1 0 431.487 2.715 20 0 IFADRO CN(C)c1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2nc[nH]c21 ZINC001164906205 721711407 /nfs/dbraw/zinc/71/14/07/721711407.db2.gz KXMCEZKDCUFNNR-FQEVSTJZSA-N 1 0 428.491 2.552 20 0 IFADRO CCOC(=O)Cc1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164907625 721715035 /nfs/dbraw/zinc/71/50/35/721715035.db2.gz SAFYKVBJOYFWMY-OAQYLSRUSA-N 1 0 431.487 2.715 20 0 IFADRO COc1cc2nc(Cl)c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc2cc1OC ZINC001165010603 721738506 /nfs/dbraw/zinc/73/85/06/721738506.db2.gz GMPRXWCAKAVZGH-UHFFFAOYSA-N 1 0 447.967 2.823 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@@H]32)nc1 ZINC001165013179 721758217 /nfs/dbraw/zinc/75/82/17/721758217.db2.gz JUMNWNZTLKGIDU-OQLXKQOESA-N 1 0 438.576 2.528 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc(S(C)(=O)=O)n3)C[C@@H]21 ZINC001165022288 721798507 /nfs/dbraw/zinc/79/85/07/721798507.db2.gz IPLWOSNQQSGWAQ-BHYGNILZSA-N 1 0 435.981 2.665 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)N4CCOCC4)cn3)C[C@H]21 ZINC001165019611 721802004 /nfs/dbraw/zinc/80/20/04/721802004.db2.gz DIXNTXJKCBZONP-MDNUFGMLSA-N 1 0 435.572 2.686 20 0 IFADRO COC(=O)c1nc2cnccc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165022634 721816427 /nfs/dbraw/zinc/81/64/27/721816427.db2.gz GHBJLJRKTRMEGQ-NBHGPNQESA-N 1 0 432.528 2.943 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(CN4C(=O)CCC4=O)cn3)C[C@H]21 ZINC001165018789 721817957 /nfs/dbraw/zinc/81/79/57/721817957.db2.gz AEVDNMDCMGWWJY-CEMLEFRQSA-N 1 0 433.556 2.863 20 0 IFADRO COC(=O)c1cc2cnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2n1C ZINC001165029066 721822088 /nfs/dbraw/zinc/82/20/88/721822088.db2.gz WWBODHOSPCCLMP-DBVUQKKJSA-N 1 0 434.544 2.887 20 0 IFADRO CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165028290 721823844 /nfs/dbraw/zinc/82/38/44/721823844.db2.gz VCTYJVTXRSKFLB-NYVOZVTQSA-N 1 0 443.617 2.900 20 0 IFADRO Cc1nc(CN2CCOC[C@]3(CN(c4ncccc4C[NH+]4CCCC4)CCO3)C2)cs1 ZINC001164926849 721834173 /nfs/dbraw/zinc/83/41/73/721834173.db2.gz SQSAIXUDMVYEIG-HSZRJFAPSA-N 1 0 443.617 2.550 20 0 IFADRO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164922779 721836287 /nfs/dbraw/zinc/83/62/87/721836287.db2.gz INFMXDBNFGNNFT-HYBUGGRVSA-N 1 0 438.576 2.611 20 0 IFADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164926632 721873063 /nfs/dbraw/zinc/87/30/63/721873063.db2.gz SCYKMVJKYNPESZ-OALUTQOASA-N 1 0 433.597 2.572 20 0 IFADRO CN(C)C(=O)c1cc2cnc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc2n1C1CCCC1 ZINC001165038403 721909738 /nfs/dbraw/zinc/90/97/38/721909738.db2.gz LGIZPTMHXKYAHY-LJQANCHMSA-N 1 0 426.565 2.549 20 0 IFADRO COC(=O)CSc1cncc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940040 721932142 /nfs/dbraw/zinc/93/21/42/721932142.db2.gz PVGSYGPDOKZIME-UHFFFAOYSA-N 1 0 442.585 2.922 20 0 IFADRO CS(=O)(=O)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164953902 721986612 /nfs/dbraw/zinc/98/66/12/721986612.db2.gz SLRGNMXXAFJKLN-YOEHRIQHSA-N 1 0 446.951 2.517 20 0 IFADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056669 722012559 /nfs/dbraw/zinc/01/25/59/722012559.db2.gz ZVPAEZFZIGELAL-QGZVFWFLSA-N 1 0 427.940 2.939 20 0 IFADRO Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C(N)=O ZINC001164961913 722052549 /nfs/dbraw/zinc/05/25/49/722052549.db2.gz YJOREIKBSAYLEL-UHFFFAOYSA-N 1 0 429.952 2.656 20 0 IFADRO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958809 722053385 /nfs/dbraw/zinc/05/33/85/722053385.db2.gz GSDZXLDUTSCWTO-UHFFFAOYSA-N 1 0 447.539 2.930 20 0 IFADRO Cc1nc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2[nH]1 ZINC001164963850 722054292 /nfs/dbraw/zinc/05/42/92/722054292.db2.gz OAAXYIQNKKURBL-UHFFFAOYSA-N 1 0 427.940 2.829 20 0 IFADRO COCc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(SC)n1 ZINC001164963214 722055494 /nfs/dbraw/zinc/05/54/94/722055494.db2.gz IRWYHKWXUPDPLH-UHFFFAOYSA-N 1 0 429.590 2.859 20 0 IFADRO CC(C)(C)C(=O)Nc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164963986 722055738 /nfs/dbraw/zinc/05/57/38/722055738.db2.gz QKHLBSZLNAFQLW-UHFFFAOYSA-N 1 0 438.576 2.975 20 0 IFADRO CC(C)(C)OC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963818 722057390 /nfs/dbraw/zinc/05/73/90/722057390.db2.gz MIAZPSQNTDJRIM-UHFFFAOYSA-N 1 0 439.560 2.946 20 0 IFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4cc(N5CCSCC5)ncn4)CC3)C2)ccn1 ZINC001164962441 722060961 /nfs/dbraw/zinc/06/09/61/722060961.db2.gz RYZZVCIGSYHYNG-UHFFFAOYSA-N 1 0 440.617 2.544 20 0 IFADRO CN1CCc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2C1 ZINC001164966327 722061844 /nfs/dbraw/zinc/06/18/44/722061844.db2.gz QZIBSHANWPZPPJ-UHFFFAOYSA-N 1 0 442.995 2.632 20 0 IFADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164966542 722074306 /nfs/dbraw/zinc/07/43/06/722074306.db2.gz ADELCRCLVGWZQU-NYSSQEGZSA-N 1 0 442.560 2.552 20 0 IFADRO O=C(c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CCCCC1 ZINC001164983401 722102269 /nfs/dbraw/zinc/10/22/69/722102269.db2.gz PXIHCQVXRFVDKN-JTHBVZDNSA-N 1 0 435.572 2.830 20 0 IFADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985794 722103053 /nfs/dbraw/zinc/10/30/53/722103053.db2.gz WUEWLRBZNGPYNL-KNQAVFIVSA-N 1 0 447.539 2.929 20 0 IFADRO COC(=O)c1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164983438 722104657 /nfs/dbraw/zinc/10/46/57/722104657.db2.gz QDPCPOQLZFEKCN-UGKGYDQZSA-N 1 0 433.512 2.539 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164975520 722104857 /nfs/dbraw/zinc/10/48/57/722104857.db2.gz CDJOQRMFBNHJJS-UGKGYDQZSA-N 1 0 433.512 2.539 20 0 IFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[C@H]3C2)c1 ZINC001164974708 722105206 /nfs/dbraw/zinc/10/52/06/722105206.db2.gz BLSDNKYVYNGQMQ-MBSDFSHPSA-N 1 0 433.512 2.523 20 0 IFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971865 722116649 /nfs/dbraw/zinc/11/66/49/722116649.db2.gz CWRVKUFVNYBAHE-UNMCSNQZSA-N 1 0 447.539 2.929 20 0 IFADRO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975750 722117760 /nfs/dbraw/zinc/11/77/60/722117760.db2.gz KSZFMXJTTOIBJV-PZJWPPBQSA-N 1 0 437.544 2.653 20 0 IFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978168 722125562 /nfs/dbraw/zinc/12/55/62/722125562.db2.gz NRMVHQVUCZDTFH-ICSRJNTNSA-N 1 0 425.533 2.554 20 0 IFADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978010 722136526 /nfs/dbraw/zinc/13/65/26/722136526.db2.gz JDEZYCHYBRFUTQ-DOTOQJQBSA-N 1 0 439.894 2.806 20 0 IFADRO FC(F)(COc1ccc(Cl)nn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979604 722140394 /nfs/dbraw/zinc/14/03/94/722140394.db2.gz LNNIUMYMOFEAQR-DLBZAZTESA-N 1 0 439.894 2.720 20 0 IFADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979747 722142717 /nfs/dbraw/zinc/14/27/17/722142717.db2.gz MCESPICWVGWFSD-LSDHHAIUSA-N 1 0 449.893 2.625 20 0 IFADRO CN(C)C(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982083 722144183 /nfs/dbraw/zinc/14/41/83/722144183.db2.gz QXPTVUAVEGMGBG-FXAWDEMLSA-N 1 0 429.952 2.559 20 0 IFADRO Clc1nc2c(Cl)ncnc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985008 722150482 /nfs/dbraw/zinc/15/04/82/722150482.db2.gz YTSKVBSOVNOLLL-GJZGRUSLSA-N 1 0 446.342 2.849 20 0 IFADRO c1nc2c(ncnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1-c1ccccc1 ZINC001164979693 722151294 /nfs/dbraw/zinc/15/12/94/722151294.db2.gz LTCJWWPSUVDZQV-UNMCSNQZSA-N 1 0 441.539 2.938 20 0 IFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976158 722156790 /nfs/dbraw/zinc/15/67/90/722156790.db2.gz UIURIVQCQAQPDX-NJAFHUGGSA-N 1 0 445.951 2.529 20 0 IFADRO C[NH+]1CCN(c2ccc(N3CCC4(CC3)CC(=O)N(CC3CC3)c3ccccc34)nn2)CC1 ZINC001164973079 722160796 /nfs/dbraw/zinc/16/07/96/722160796.db2.gz KTWZCVSDWXKAEY-UHFFFAOYSA-N 1 0 446.599 2.913 20 0 IFADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]32)cs1 ZINC001164987558 722184399 /nfs/dbraw/zinc/18/43/99/722184399.db2.gz IJWFXXRHIJXEQJ-WOJBJXKFSA-N 1 0 429.590 2.553 20 0 IFADRO O=S(=O)(NC1CC1)c1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164994902 722208730 /nfs/dbraw/zinc/20/87/30/722208730.db2.gz JMYGFGZQLLMCEJ-JOCHJYFZSA-N 1 0 430.549 2.906 20 0 IFADRO CCN(CC)c1ccnc([C@@H]2COCCN2c2cccc(OCC[NH+]3CCCC3)n2)n1 ZINC001164998835 722227033 /nfs/dbraw/zinc/22/70/33/722227033.db2.gz FQAZJVFSMHPWAU-IBGZPJMESA-N 1 0 426.565 2.770 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC001165002118 722247157 /nfs/dbraw/zinc/24/71/57/722247157.db2.gz WPBIAOBKCIOKLR-QPPBQGQZSA-N 1 0 438.576 2.531 20 0 IFADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2)C1 ZINC001165003395 722256473 /nfs/dbraw/zinc/25/64/73/722256473.db2.gz BREIPUKCPDJLCT-IBGZPJMESA-N 1 0 440.592 2.639 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@@H]5C[NH2+]C[C@@]5(CO)C4)c32)C1 ZINC001164410284 718853088 /nfs/dbraw/zinc/85/30/88/718853088.db2.gz ZVKYRWZBVATIGU-KCYKTTMJSA-N 1 0 441.645 2.820 20 0 IFADRO C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164409510 718864344 /nfs/dbraw/zinc/86/43/44/718864344.db2.gz QVPBHSDPEWNKJL-WMZOPIPTSA-N 1 0 427.618 2.981 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164434878 718968312 /nfs/dbraw/zinc/96/83/12/718968312.db2.gz WQZRVPHFMKTWLW-QWHCGFSZSA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nc(C)cc(Cl)n1)C2 ZINC001164434987 718968389 /nfs/dbraw/zinc/96/83/89/718968389.db2.gz WRMXIDYTGUFHRQ-ZIAGYGMSSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164434117 718968978 /nfs/dbraw/zinc/96/89/78/718968978.db2.gz OJTPZMQUGYTWDI-KGLIPLIRSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(OC)c(Cl)n1)C2 ZINC001164431871 718969782 /nfs/dbraw/zinc/96/97/82/718969782.db2.gz CDUMVOXLINTTSR-GJZGRUSLSA-N 1 0 443.800 2.810 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164432302 718969856 /nfs/dbraw/zinc/96/98/56/718969856.db2.gz FZSZHESYDNPWJD-HUUCEWRRSA-N 1 0 442.816 2.813 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1nc(Cl)ccc1CN1CCCC1)C2 ZINC001164435011 718969863 /nfs/dbraw/zinc/96/98/63/718969863.db2.gz XKYWLKAZYOGHFX-OALUTQOASA-N 1 0 446.901 2.852 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(OC)c(Cl)n1)C2 ZINC001164431874 718970205 /nfs/dbraw/zinc/97/02/05/718970205.db2.gz CDUMVOXLINTTSR-HUUCEWRRSA-N 1 0 443.800 2.810 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164619740 719011993 /nfs/dbraw/zinc/01/19/93/719011993.db2.gz WYCKGBQFMKCEFB-HNAYVOBHSA-N 1 0 429.895 2.668 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4cnccc4cc3C(=O)OC)CC2)CC1 ZINC001164618373 719027931 /nfs/dbraw/zinc/02/79/31/719027931.db2.gz UNGXMLKPDCHKHT-UHFFFAOYSA-N 1 0 426.517 2.660 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4[nH]cc(C(=O)OC)c43)CC2)CC1 ZINC001164616955 719030644 /nfs/dbraw/zinc/03/06/44/719030644.db2.gz FWYWTFXUSHKYCU-UHFFFAOYSA-N 1 0 449.939 2.642 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)CC2)CC1 ZINC001164618668 719034771 /nfs/dbraw/zinc/03/47/71/719034771.db2.gz XXFPTJJQCPMYFC-UHFFFAOYSA-N 1 0 445.942 2.985 20 0 IFADRO COC(=O)C1CCN(c2nccnc2N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001164628642 719087309 /nfs/dbraw/zinc/08/73/09/719087309.db2.gz NVCQBQJDQBLYPA-YADHBBJMSA-N 1 0 435.572 2.967 20 0 IFADRO COC(=O)C1CCN(c2ccnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164628806 719089151 /nfs/dbraw/zinc/08/91/51/719089151.db2.gz ONDLTLCVXJTOSC-FGZHOGPDSA-N 1 0 435.572 2.967 20 0 IFADRO [NH3+]C1([C@@H]2CN(c3ncccc3C(=O)N3CCN(Cc4ccccc4)CC3)C[C@@H]2CF)CC1 ZINC001164620017 719120649 /nfs/dbraw/zinc/12/06/49/719120649.db2.gz GIHNYAYOCSAUCR-RBBKRZOGSA-N 1 0 437.563 2.553 20 0 IFADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001164630594 719134038 /nfs/dbraw/zinc/13/40/38/719134038.db2.gz JLEPOZQNICFILK-INIZCTEOSA-N 1 0 435.862 2.785 20 0 IFADRO Fc1ccc(CN2CCOCC23CCN(c2ccc(OC4CC[NH2+]CC4)nn2)CC3)cc1 ZINC001164672673 719523854 /nfs/dbraw/zinc/52/38/54/719523854.db2.gz MNFWHUWMRJTHIE-UHFFFAOYSA-N 1 0 441.551 2.618 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](OCC(=O)NC)CO3)CC2)nc1 ZINC001164677486 719555248 /nfs/dbraw/zinc/55/52/48/719555248.db2.gz OHIMZPQEOALTGK-LEWJYISDSA-N 1 0 430.593 2.909 20 0 IFADRO CC(C)N(C)Cc1nn(-c2ncnc3c2CN(Cc2ccccc2)CC3)c2c1CC[NH2+]C2 ZINC001164684105 719608281 /nfs/dbraw/zinc/60/82/81/719608281.db2.gz MIFFVKNHXYLCQZ-UHFFFAOYSA-N 1 0 431.588 2.707 20 0 IFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccnc4ccnn43)CC2)c2ccccc21 ZINC001164685326 719655090 /nfs/dbraw/zinc/65/50/90/719655090.db2.gz ZFYQOUYPBZLSGR-IBGZPJMESA-N 1 0 432.572 2.823 20 0 IFADRO CCOc1cncc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681692 719655219 /nfs/dbraw/zinc/65/52/19/719655219.db2.gz PXIXABGJVYNSGR-LJQANCHMSA-N 1 0 437.588 2.969 20 0 IFADRO CCOc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680319 719658472 /nfs/dbraw/zinc/65/84/72/719658472.db2.gz FGTQBLKSGZQXNL-LJQANCHMSA-N 1 0 437.588 2.969 20 0 IFADRO Cc1cc(C(N)=O)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164688198 719682886 /nfs/dbraw/zinc/68/28/86/719682886.db2.gz WZABXFZOPHZFTL-FQEVSTJZSA-N 1 0 449.599 2.582 20 0 IFADRO CCOC(=O)c1cnc(Cl)c(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)c1Cl ZINC001164684083 719708582 /nfs/dbraw/zinc/70/85/82/719708582.db2.gz MWPPRZMMUYMRIY-UHFFFAOYSA-N 1 0 429.348 2.746 20 0 IFADRO CCNS(=O)(=O)c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164692079 719813279 /nfs/dbraw/zinc/81/32/79/719813279.db2.gz LHIVHEKEIVWYMX-UHFFFAOYSA-N 1 0 435.619 2.780 20 0 IFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(S(=O)(=O)NC4CC4)cn2)CC3)cs1 ZINC001164691742 719813694 /nfs/dbraw/zinc/81/36/94/719813694.db2.gz KKMHWIPQODOHNS-UHFFFAOYSA-N 1 0 447.630 2.922 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)nc1 ZINC001164702968 719885090 /nfs/dbraw/zinc/88/50/90/719885090.db2.gz RMLQFTPLBGGRLL-XRXFAXGQSA-N 1 0 436.560 2.756 20 0 IFADRO Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cn1 ZINC001164710237 720070804 /nfs/dbraw/zinc/07/08/04/720070804.db2.gz DIWUUFXPIJAIMX-PKTZIBPZSA-N 1 0 428.540 2.758 20 0 IFADRO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cn1 ZINC001164709383 720078187 /nfs/dbraw/zinc/07/81/87/720078187.db2.gz DLOGIWNDLATETO-ZWKOTPCHSA-N 1 0 448.905 2.774 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)C2 ZINC001164813670 720084863 /nfs/dbraw/zinc/08/48/63/720084863.db2.gz UYUKEDMPUJHNJS-KXBFYZLASA-N 1 0 429.943 2.926 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccsc3c(N3CCOCC3)n1)C2 ZINC001164810380 720085222 /nfs/dbraw/zinc/08/52/22/720085222.db2.gz LJVJURLHJUNBTM-WZONZLPQSA-N 1 0 443.617 2.713 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3nc[nH]c31)CC2 ZINC001164712025 720095844 /nfs/dbraw/zinc/09/58/44/720095844.db2.gz UHPDWSNVRJNGEO-INIZCTEOSA-N 1 0 427.940 2.909 20 0 IFADRO CCOC(=O)c1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ncn1 ZINC001164717343 720108938 /nfs/dbraw/zinc/10/89/38/720108938.db2.gz NLIHBBGBHVFBRE-IBGZPJMESA-N 1 0 425.533 2.556 20 0 IFADRO CCOC(=O)c1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ncn1 ZINC001164717345 720109643 /nfs/dbraw/zinc/10/96/43/720109643.db2.gz NLIHBBGBHVFBRE-LJQANCHMSA-N 1 0 425.533 2.556 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1ncn3C)CC2 ZINC001164714820 720110452 /nfs/dbraw/zinc/11/04/52/720110452.db2.gz CCAQJBCQJJVLBM-QGZVFWFLSA-N 1 0 441.967 2.919 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)C2 ZINC001164812471 720111119 /nfs/dbraw/zinc/11/11/19/720111119.db2.gz OMVYFYQNECULEX-KBMIEXCESA-N 1 0 435.572 2.547 20 0 IFADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)cn1 ZINC001164716965 720115510 /nfs/dbraw/zinc/11/55/10/720115510.db2.gz MLUFEOFNPOANFF-LJQANCHMSA-N 1 0 425.533 2.556 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)nccc1C(N)=O)CC2 ZINC001164713529 720152919 /nfs/dbraw/zinc/15/29/19/720152919.db2.gz RJOIQDYRUHWKDI-KRWDZBQOSA-N 1 0 429.952 2.736 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1ccnc(Cl)c1F)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714059 720169703 /nfs/dbraw/zinc/16/97/03/720169703.db2.gz NXRYVDWJZHTWHI-OAHLLOKOSA-N 1 0 444.889 2.764 20 0 IFADRO Cn1nnc2c1CCN(c1nnc(Cl)c3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711420 720171260 /nfs/dbraw/zinc/17/12/60/720171260.db2.gz BOURJXSNHFPBSN-GOSISDBHSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1ncnc3ccc(Cl)cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715781 720172966 /nfs/dbraw/zinc/17/29/66/720172966.db2.gz WPRLZKZNEWQUIB-IBGZPJMESA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1cnc3cccc(Cl)c3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715142 720173621 /nfs/dbraw/zinc/17/36/21/720173621.db2.gz SULBLOSXLLIDMD-SFHVURJKSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1csc3ncnc(Cl)c13)[C@H]2COCC[NH+]1CCCC1 ZINC001164719583 720176470 /nfs/dbraw/zinc/17/64/70/720176470.db2.gz WKSWDGZCGIXSMM-AWEZNQCLSA-N 1 0 433.969 2.689 20 0 IFADRO Cc1ccc2nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c(Cl)nc2c1 ZINC001164719914 720179794 /nfs/dbraw/zinc/17/97/94/720179794.db2.gz YUTAGDXKWLMTPW-IBGZPJMESA-N 1 0 441.967 2.936 20 0 IFADRO Cc1cccc2c(Cl)nnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164718784 720181126 /nfs/dbraw/zinc/18/11/26/720181126.db2.gz RCOAQEWHTNLELL-GOSISDBHSA-N 1 0 441.967 2.936 20 0 IFADRO Cc1ccc2c(c1)nc(Cl)nc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164719955 720182646 /nfs/dbraw/zinc/18/26/46/720182646.db2.gz ZAUDOVDTQZNVCL-IBGZPJMESA-N 1 0 441.967 2.936 20 0 IFADRO Cn1nnc2c1CCN(c1ncc3cc(Cl)ccc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718247 720184348 /nfs/dbraw/zinc/18/43/48/720184348.db2.gz NZMVBPHEZAKJKG-IBGZPJMESA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1ccc3c(Cl)ccnc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718760 720186700 /nfs/dbraw/zinc/18/67/00/720186700.db2.gz QOBAPLVNSKTOEH-GOSISDBHSA-N 1 0 427.940 2.628 20 0 IFADRO CCc1cc2c(nc(Cl)nc2N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)[nH]1 ZINC001164716632 720193994 /nfs/dbraw/zinc/19/39/94/720193994.db2.gz QJZAZQNUKJXBEN-KRWDZBQOSA-N 1 0 444.971 2.518 20 0 IFADRO Cn1nnc2c1CCN(c1ncnc3sc4c(c31)CCC4)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718235 720195959 /nfs/dbraw/zinc/19/59/59/720195959.db2.gz YWUJJXMYGQGUKN-QGZVFWFLSA-N 1 0 439.589 2.525 20 0 IFADRO CCc1nc(Cl)c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(Cl)n1 ZINC001164714034 720199056 /nfs/dbraw/zinc/19/90/56/720199056.db2.gz FTVUVNLUYJVZFA-CQSZACIVSA-N 1 0 440.379 2.691 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nc(C(=O)OC)nc1Cl)C2 ZINC001164810793 720200793 /nfs/dbraw/zinc/20/07/93/720200793.db2.gz CPTPWJHDFBDVQN-BFUOFWGJSA-N 1 0 429.348 2.755 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)Oc1cccc(Cl)n1)CCC2 ZINC001164812054 720217902 /nfs/dbraw/zinc/21/79/02/720217902.db2.gz CQAJHDDPIBLCEG-UHFFFAOYSA-N 1 0 427.883 2.967 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)s1 ZINC001164812787 720225425 /nfs/dbraw/zinc/22/54/25/720225425.db2.gz IZJHIEYLYAUSBD-UHFFFAOYSA-N 1 0 433.969 2.855 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(OCc3ccccc3)cn1)CCC2 ZINC001164812310 720230107 /nfs/dbraw/zinc/23/01/07/720230107.db2.gz DXEYQUJFIWDNOO-UHFFFAOYSA-N 1 0 434.544 2.863 20 0 IFADRO COc1cccc(-c2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nn2)c1 ZINC001164812163 720236020 /nfs/dbraw/zinc/23/60/20/720236020.db2.gz CERLOZCMDVJNPJ-UHFFFAOYSA-N 1 0 434.544 2.959 20 0 IFADRO COc1ccc(-c2cc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)ncn2)cc1 ZINC001164813470 720238531 /nfs/dbraw/zinc/23/85/31/720238531.db2.gz ORZPKRSYZWHLCM-UHFFFAOYSA-N 1 0 434.544 2.959 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3cccnc3)nc3c1CCC3)CCC2 ZINC001164812240 720242544 /nfs/dbraw/zinc/24/25/44/720242544.db2.gz DOGMWQVOZHXNSZ-UHFFFAOYSA-N 1 0 445.571 2.835 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(C(N)=S)c3ccsc31)CCC2 ZINC001164816291 720247568 /nfs/dbraw/zinc/24/75/68/720247568.db2.gz HOLYSFSNPFHWRQ-UHFFFAOYSA-N 1 0 442.614 2.738 20 0 IFADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164818741 720288648 /nfs/dbraw/zinc/28/86/48/720288648.db2.gz MOPQHANZEAHACP-QZTJIDSGSA-N 1 0 434.968 2.823 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cncc(OCc3ccccc3)n2)CC1 ZINC001164818559 720302662 /nfs/dbraw/zinc/30/26/62/720302662.db2.gz AGWPHVQNWOUJGN-FGZHOGPDSA-N 1 0 435.572 2.967 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2COC3(C)C)CC1 ZINC001164821435 720307469 /nfs/dbraw/zinc/30/74/69/720307469.db2.gz KQIQRDGORYEHMR-IAGOWNOFSA-N 1 0 433.984 2.807 20 0 IFADRO COc1cc2ncc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2cc1OC ZINC001164821937 720315175 /nfs/dbraw/zinc/31/51/75/720315175.db2.gz LZIUQYFVGNRJNO-UXHICEINSA-N 1 0 439.560 2.559 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1OCC ZINC001164823362 720316978 /nfs/dbraw/zinc/31/69/78/720316978.db2.gz AVUBMRACORPRQA-UXHICEINSA-N 1 0 444.576 2.569 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164833911 720322152 /nfs/dbraw/zinc/32/21/52/720322152.db2.gz XYDDWOHOURBWJI-LSDHHAIUSA-N 1 0 434.997 2.960 20 0 IFADRO CCOC(=O)/C=C\c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164831995 720328047 /nfs/dbraw/zinc/32/80/47/720328047.db2.gz SRXCMXDRLZWMGO-CJXCCNFUSA-N 1 0 426.561 2.569 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824771 720328214 /nfs/dbraw/zinc/32/82/14/720328214.db2.gz DHGLMAQKOUUCOV-UXHICEINSA-N 1 0 427.524 2.689 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH]c-2n1 ZINC001164824651 720328961 /nfs/dbraw/zinc/32/89/61/720328961.db2.gz CPEBBLIMCIDVRV-PMACEKPBSA-N 1 0 439.560 2.651 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834330 720330238 /nfs/dbraw/zinc/33/02/38/720330238.db2.gz ZEFHHMURVFUNTE-IRXDYDNUSA-N 1 0 445.999 2.972 20 0 IFADRO COC(=O)c1ccc2cc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc2c1 ZINC001164829444 720335541 /nfs/dbraw/zinc/33/55/41/720335541.db2.gz MAJXWOBQRYEIEY-FGZHOGPDSA-N 1 0 436.556 2.933 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc21 ZINC001164821751 720347280 /nfs/dbraw/zinc/34/72/80/720347280.db2.gz BRSKHTGGNYFLTA-VXKWHMMOSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3nc(C4CC4)no3)ccn2)CC1 ZINC001164831276 720349275 /nfs/dbraw/zinc/34/92/75/720349275.db2.gz YRWZNXPTJJYVLS-WOJBJXKFSA-N 1 0 436.560 2.921 20 0 IFADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821561 720354636 /nfs/dbraw/zinc/35/46/36/720354636.db2.gz BBIYYFLTIWOAKM-JKSUJKDBSA-N 1 0 443.926 2.595 20 0 IFADRO Cc1nc(CO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164823735 720390461 /nfs/dbraw/zinc/39/04/61/720390461.db2.gz PYPMUPSGHHXFAD-KNKQGSTJSA-N 1 0 429.590 2.551 20 0 IFADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837805 720509569 /nfs/dbraw/zinc/50/95/69/720509569.db2.gz PELQVSGVGNPCPK-LZLYRXPVSA-N 1 0 432.956 2.881 20 0 IFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc3c(Cl)nc(Cl)nc32)C1 ZINC001164731221 720509965 /nfs/dbraw/zinc/50/99/65/720509965.db2.gz OFVXALPHSWKQLF-VIFPVBQESA-N 1 0 427.727 2.775 20 0 IFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)C1 ZINC001164726696 720514037 /nfs/dbraw/zinc/51/40/37/720514037.db2.gz CUSLWFPZUXNEPI-HOCLYGCPSA-N 1 0 430.944 2.573 20 0 IFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)C1 ZINC001164726694 720514263 /nfs/dbraw/zinc/51/42/63/720514263.db2.gz CUSLWFPZUXNEPI-GOEBONIOSA-N 1 0 430.944 2.573 20 0 IFADRO CCOc1ccc(C(=O)OC)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834204 720557141 /nfs/dbraw/zinc/55/71/41/720557141.db2.gz CSZIGQSUFQTOPT-CMKODMSKSA-N 1 0 427.549 2.841 20 0 IFADRO CCOc1ccc(C(=O)OC)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834207 720557403 /nfs/dbraw/zinc/55/74/03/720557403.db2.gz CSZIGQSUFQTOPT-WSTZPKSXSA-N 1 0 427.549 2.841 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(OC)c1 ZINC001164837367 720563672 /nfs/dbraw/zinc/56/36/72/720563672.db2.gz MBGUXGUSMBWEBY-HSALFYBXSA-N 1 0 427.549 2.841 20 0 IFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164727152 720570046 /nfs/dbraw/zinc/57/00/46/720570046.db2.gz BNZSIQRPAHFRQJ-UHFFFAOYSA-N 1 0 439.894 2.922 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nnc(Cl)c4c3N(C)CCO4)CC[C@@H]21 ZINC001164836288 720587993 /nfs/dbraw/zinc/58/79/93/720587993.db2.gz FPQBUVKUVWGWHS-IKGGRYGDSA-N 1 0 431.972 2.533 20 0 IFADRO Cc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(NC(=O)c2ccccc2)n1 ZINC001164736909 720590226 /nfs/dbraw/zinc/59/02/26/720590226.db2.gz VRMNEGPHCFVKLM-UHFFFAOYSA-N 1 0 431.544 2.892 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCSCC4)ncn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838154 720628357 /nfs/dbraw/zinc/62/83/57/720628357.db2.gz KATFJGVPBQVOLK-SLFFLAALSA-N 1 0 427.622 2.604 20 0 IFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837626 720669049 /nfs/dbraw/zinc/66/90/49/720669049.db2.gz DONRONAVQGFSFL-GOSISDBHSA-N 1 0 435.528 2.956 20 0 IFADRO C[C@H]1C(=O)Nc2cnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2N1C ZINC001164843918 720693581 /nfs/dbraw/zinc/69/35/81/720693581.db2.gz RVYASOOFKDHCBC-HKUYNNGSSA-N 1 0 436.560 2.513 20 0 IFADRO CCOc1cc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OCC ZINC001164740149 720697294 /nfs/dbraw/zinc/69/72/94/720697294.db2.gz QKPAYXRIILNCSS-IAGOWNOFSA-N 1 0 436.516 2.559 20 0 IFADRO CCNS(=O)(=O)c1cccnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844526 720699555 /nfs/dbraw/zinc/69/95/55/720699555.db2.gz SRECIJOTOXNVFM-HXUWFJFHSA-N 1 0 444.601 2.640 20 0 IFADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737572 720710350 /nfs/dbraw/zinc/71/03/50/720710350.db2.gz GGDIYUSUKDZOPF-VQTJNVASSA-N 1 0 445.502 2.751 20 0 IFADRO CN(C)S(=O)(=O)c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839867 720710996 /nfs/dbraw/zinc/71/09/96/720710996.db2.gz NWBWYHZWPPDIEI-HXUWFJFHSA-N 1 0 444.601 2.592 20 0 IFADRO c1cn(Cc2ccccc2)c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164741952 720712868 /nfs/dbraw/zinc/71/28/68/720712868.db2.gz USJMNUBUTJBMMW-VQTJNVASSA-N 1 0 427.512 2.612 20 0 IFADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164744810 720724362 /nfs/dbraw/zinc/72/43/62/720724362.db2.gz STMGOWHZCFJBOR-GDBMZVCRSA-N 1 0 443.870 2.588 20 0 IFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1NC(=O)CS3)CC2 ZINC001164839821 720728357 /nfs/dbraw/zinc/72/83/57/720728357.db2.gz NJVYHJAWFOKPKS-KRWDZBQOSA-N 1 0 425.558 2.781 20 0 IFADRO COC(=O)c1ncnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1OC ZINC001164836205 720729750 /nfs/dbraw/zinc/72/97/50/720729750.db2.gz CDKGQYWVFKWTTI-GOSISDBHSA-N 1 0 426.517 2.532 20 0 IFADRO F[C@H](Oc1ccc(Cl)nn1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164842972 720743217 /nfs/dbraw/zinc/74/32/17/720743217.db2.gz GSZXTWNAKTUWEF-IBGZPJMESA-N 1 0 429.887 2.615 20 0 IFADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741115 720745452 /nfs/dbraw/zinc/74/54/52/720745452.db2.gz MFGPQXBZFUTMSM-NWDGAFQWSA-N 1 0 431.274 2.546 20 0 IFADRO O=C(c1ccccc1)n1ccc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164743970 720746999 /nfs/dbraw/zinc/74/69/99/720746999.db2.gz QSGQNRUTAQKBLD-RTWAWAEBSA-N 1 0 440.507 2.857 20 0 IFADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737189 720757406 /nfs/dbraw/zinc/75/74/06/720757406.db2.gz AMFAJLCJNBYGAY-RTBURBONSA-N 1 0 425.496 2.824 20 0 IFADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164746708 720797956 /nfs/dbraw/zinc/79/79/56/720797956.db2.gz MSUVPDMUEZCVRY-IRXDYDNUSA-N 1 0 431.525 2.885 20 0 IFADRO COc1ccc(Cc2c(C)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2C)cc1 ZINC001164750403 720800903 /nfs/dbraw/zinc/80/09/03/720800903.db2.gz VOQVNSHEXLSVTL-IFMALSPDSA-N 1 0 446.555 2.825 20 0 IFADRO CC(C)(C)OC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164743982 720801137 /nfs/dbraw/zinc/80/11/37/720801137.db2.gz GZVBFBCMBRWOQL-CVEARBPZSA-N 1 0 431.924 2.822 20 0 IFADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750040 720809855 /nfs/dbraw/zinc/80/98/55/720809855.db2.gz VAXJEZOYZAXWOL-YQVWRLOYSA-N 1 0 444.967 2.883 20 0 IFADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739725 720817181 /nfs/dbraw/zinc/81/71/81/720817181.db2.gz IBBCDMUTUQDUCW-YESZJQIVSA-N 1 0 437.926 2.954 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1OC ZINC001164745058 720817250 /nfs/dbraw/zinc/81/72/50/720817250.db2.gz VZSMLBLDJRNJTJ-DBXWQHBBSA-N 1 0 449.559 2.618 20 0 IFADRO Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CCCC2 ZINC001164739843 720817827 /nfs/dbraw/zinc/81/78/27/720817827.db2.gz IZSRWAAQJFGQCL-SQGPQFPESA-N 1 0 427.984 2.980 20 0 IFADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739591 720820999 /nfs/dbraw/zinc/82/09/99/720820999.db2.gz HYSVMJNPJAHEJZ-LZLYRXPVSA-N 1 0 443.983 2.866 20 0 IFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164739788 720821539 /nfs/dbraw/zinc/82/15/39/720821539.db2.gz IOVQYXRCWLOKLJ-GVDBMIGSSA-N 1 0 426.956 2.891 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2[nH]1 ZINC001164741276 720824171 /nfs/dbraw/zinc/82/41/71/720824171.db2.gz NANTZTPDRIZBAL-IRFCIJBXSA-N 1 0 449.559 2.711 20 0 IFADRO COc1cc2ncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2cc1OC ZINC001164740654 720826151 /nfs/dbraw/zinc/82/61/51/720826151.db2.gz KIFLVAWLOUZIBP-BBTUJRGHSA-N 1 0 449.559 2.618 20 0 IFADRO CCOc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164747313 720831938 /nfs/dbraw/zinc/83/19/38/720831938.db2.gz QDUUIAHHUAIVMF-DNVFCKCGSA-N 1 0 433.560 2.999 20 0 IFADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747344 720840210 /nfs/dbraw/zinc/84/02/10/720840210.db2.gz QFBRUTROOZGXAK-PWRODBHTSA-N 1 0 437.592 2.581 20 0 IFADRO CC1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)CC1 ZINC001164749383 720848561 /nfs/dbraw/zinc/84/85/61/720848561.db2.gz VTMKNZQWVNYVEM-BHDDXSALSA-N 1 0 436.608 2.684 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751848 720849708 /nfs/dbraw/zinc/84/97/08/720849708.db2.gz ZICUSRRZVMTEAM-TXTKFYIRSA-N 1 0 446.555 2.992 20 0 IFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749602 720851792 /nfs/dbraw/zinc/85/17/92/720851792.db2.gz NUXPDHMOFJTQJO-QZNHQXDQSA-N 1 0 430.560 2.818 20 0 IFADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(C)nc2c1 ZINC001164748926 720851846 /nfs/dbraw/zinc/85/18/46/720851846.db2.gz MWVQNYXDMNITNH-YCRNBWNJSA-N 1 0 433.560 2.918 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc21 ZINC001164744654 720853325 /nfs/dbraw/zinc/85/33/25/720853325.db2.gz CCHKCWOSJBIGLG-DNVFCKCGSA-N 1 0 446.555 2.992 20 0 IFADRO CCOc1cc2ncnc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)c2cc1OCC ZINC001164854988 720855273 /nfs/dbraw/zinc/85/52/73/720855273.db2.gz LXJNOHVTIRZDRJ-VGSWGCGISA-N 1 0 430.549 2.601 20 0 IFADRO Clc1nc2c(nc1N1CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C1)CCCC2 ZINC001164745525 720859617 /nfs/dbraw/zinc/85/96/17/720859617.db2.gz DVVYWCFCISHSOY-SQGPQFPESA-N 1 0 427.984 2.980 20 0 IFADRO CCCSc1ncnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1OC ZINC001164747696 720860013 /nfs/dbraw/zinc/86/00/13/720860013.db2.gz JAXQMLNQPNHAKN-GUDVDZBRSA-N 1 0 443.621 2.958 20 0 IFADRO FC(F)(Oc1cnc(Cl)cn1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751245 720860618 /nfs/dbraw/zinc/86/06/18/720860618.db2.gz QYWNWEJKNGCBFH-HRCADAONSA-N 1 0 439.898 2.526 20 0 IFADRO CCOC(=O)c1cc2c(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164851578 720863163 /nfs/dbraw/zinc/86/31/63/720863163.db2.gz BCWLTKVRSJTEAF-FXAWDEMLSA-N 1 0 430.549 2.530 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)CC[C@H]2C1 ZINC001164856913 720863422 /nfs/dbraw/zinc/86/34/22/720863422.db2.gz PXTBZGWPWVJPAU-WMLDXEAASA-N 1 0 437.903 2.630 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)CC[C@H]2C1 ZINC001164851546 720867642 /nfs/dbraw/zinc/86/76/42/720867642.db2.gz ATXJZSKIMDSQLV-KBXCAEBGSA-N 1 0 442.894 2.881 20 0 IFADRO Cn1cnc2c1ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754387 720874976 /nfs/dbraw/zinc/87/49/76/720874976.db2.gz RPDMRTPMEODFPJ-RDPSFJRHSA-N 1 0 433.560 2.513 20 0 IFADRO COc1cc(OC)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754932 720878991 /nfs/dbraw/zinc/87/89/91/720878991.db2.gz UTPXQMAALMMLFF-HYBUGGRVSA-N 1 0 439.560 2.644 20 0 IFADRO COc1cc(OC)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754935 720879103 /nfs/dbraw/zinc/87/91/03/720879103.db2.gz UTPXQMAALMMLFF-RDPSFJRHSA-N 1 0 439.560 2.644 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)CC[C@@H]2C1 ZINC001164864610 720879897 /nfs/dbraw/zinc/87/98/97/720879897.db2.gz WCPUPRMFFCFSSW-YADHBBJMSA-N 1 0 425.529 2.612 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)c(Cc4ccc(OC)cc4)c(C)n3)CC[C@H]2C1 ZINC001164862914 720886709 /nfs/dbraw/zinc/88/67/09/720886709.db2.gz SALPFIOENNLKFJ-URXFXBBRSA-N 1 0 440.588 2.866 20 0 IFADRO COc1ncc(F)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752743 720886879 /nfs/dbraw/zinc/88/68/79/720886879.db2.gz FYEFVONPUCSXHR-CVDCTZTESA-N 1 0 427.524 2.774 20 0 IFADRO O=C1COc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2N1 ZINC001164757489 720888927 /nfs/dbraw/zinc/88/89/27/720888927.db2.gz VEHLUMXLPBHRGZ-NBGIEHNGSA-N 1 0 449.555 2.563 20 0 IFADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ncc4c(n2)CCCN4)C3)c1 ZINC001164749607 720889573 /nfs/dbraw/zinc/88/95/73/720889573.db2.gz AJILBQRZWSXOJA-OFVILXPXSA-N 1 0 434.588 2.985 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)CC[C@H]2C1 ZINC001164856710 720890190 /nfs/dbraw/zinc/89/01/90/720890190.db2.gz JAZXQNKIFYREFJ-HOCLYGCPSA-N 1 0 448.898 2.545 20 0 IFADRO O=C1COc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2N1 ZINC001164750717 720891775 /nfs/dbraw/zinc/89/17/75/720891775.db2.gz BRNIXWHLIAJPEX-CPJSRVTESA-N 1 0 449.555 2.563 20 0 IFADRO O=C1COc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2N1 ZINC001164758461 720893946 /nfs/dbraw/zinc/89/39/46/720893946.db2.gz YFAUWNSVCZDTLJ-NBGIEHNGSA-N 1 0 449.555 2.563 20 0 IFADRO CCNC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755658 720897498 /nfs/dbraw/zinc/89/74/98/720897498.db2.gz MJQSPCBHUYNRFD-GJZUVCINSA-N 1 0 449.599 2.981 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164752270 720946219 /nfs/dbraw/zinc/94/62/19/720946219.db2.gz XEPXMOOUOMSEBT-UHFFFAOYSA-N 1 0 434.274 2.775 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164751750 720955972 /nfs/dbraw/zinc/95/59/72/720955972.db2.gz TVJNOQHUFPVLNZ-UHFFFAOYSA-N 1 0 426.908 2.639 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)[C@H]2C ZINC001164862771 721001567 /nfs/dbraw/zinc/00/15/67/721001567.db2.gz ULKNVOMYAUBMCP-SFHVURJKSA-N 1 0 446.621 2.874 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)[C@@H]2C ZINC001164862768 721001696 /nfs/dbraw/zinc/00/16/96/721001696.db2.gz ULKNVOMYAUBMCP-GOSISDBHSA-N 1 0 446.621 2.874 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1S(=O)(=O)N1CCCCC1)[C@@H]2C ZINC001164864312 721012123 /nfs/dbraw/zinc/01/21/23/721012123.db2.gz XGHDNMIKOFGWLD-GOSISDBHSA-N 1 0 446.621 2.874 20 0 IFADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2ncccc2C[NH+]2CCCC2)C1 ZINC001164758024 721016907 /nfs/dbraw/zinc/01/69/07/721016907.db2.gz HNBWEHPJLOHYCV-PUHATCMVSA-N 1 0 435.572 2.715 20 0 IFADRO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21 ZINC001164760936 721021486 /nfs/dbraw/zinc/02/14/86/721021486.db2.gz REHATIIEPLCNBP-DNVJHFABSA-N 1 0 435.572 2.620 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCc4ccccn4)[C@@H]3C2)nc1)C1CC1 ZINC001164762383 721022186 /nfs/dbraw/zinc/02/21/86/721022186.db2.gz VISAMLYELPSWAV-VJBWXMMDSA-N 1 0 435.572 2.619 20 0 IFADRO CCOC(=O)c1sc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164768512 721073850 /nfs/dbraw/zinc/07/38/50/721073850.db2.gz NMSPGLHFRWCKCK-IRXDYDNUSA-N 1 0 440.573 2.868 20 0 IFADRO CCOC(=O)c1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164864497 721089042 /nfs/dbraw/zinc/08/90/42/721089042.db2.gz GCYZVMHBVLRCBZ-PMACEKPBSA-N 1 0 433.512 2.681 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164771364 721115241 /nfs/dbraw/zinc/11/52/41/721115241.db2.gz SHGPYVQSXCPNOF-PKTZIBPZSA-N 1 0 443.599 2.727 20 0 IFADRO CC1CCN(C(=O)c2cccnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001164873639 721141951 /nfs/dbraw/zinc/14/19/51/721141951.db2.gz JOQCVPHASQDRCA-FCHUYYIVSA-N 1 0 435.572 2.828 20 0 IFADRO CC1CCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2)CC1 ZINC001164871024 721142610 /nfs/dbraw/zinc/14/26/10/721142610.db2.gz CZIGRZBODUWEQL-DHIUTWEWSA-N 1 0 435.572 2.828 20 0 IFADRO CC1CCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2)CC1 ZINC001164871030 721143009 /nfs/dbraw/zinc/14/30/09/721143009.db2.gz CZIGRZBODUWEQL-XZOQPEGZSA-N 1 0 435.572 2.828 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164761700 721150485 /nfs/dbraw/zinc/15/04/85/721150485.db2.gz AKONXJLPDYOCNM-SJLPKXTDSA-N 1 0 430.984 2.955 20 0 IFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164771800 721151267 /nfs/dbraw/zinc/15/12/67/721151267.db2.gz UDOJGKMDJUSMSA-HOCLYGCPSA-N 1 0 439.894 2.758 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)C[C@H]3C2)cn1 ZINC001164773970 721157719 /nfs/dbraw/zinc/15/77/19/721157719.db2.gz ZOCVQJHBYCKWSP-UYAOXDASSA-N 1 0 446.534 2.706 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)C[C@H]3C2)cn1 ZINC001164773960 721158200 /nfs/dbraw/zinc/15/82/00/721158200.db2.gz ZOCVQJHBYCKWSP-AZUAARDMSA-N 1 0 446.534 2.706 20 0 IFADRO c1cncc(CO[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164876555 721166792 /nfs/dbraw/zinc/16/67/92/721166792.db2.gz NDQKRFUAQOJZAL-SFTDATJTSA-N 1 0 428.540 2.902 20 0 IFADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164771131 721171412 /nfs/dbraw/zinc/17/14/12/721171412.db2.gz PJULVCJVZRGEKL-NHCUHLMSSA-N 1 0 447.587 2.707 20 0 IFADRO Clc1nc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880987 721171681 /nfs/dbraw/zinc/17/16/81/721171681.db2.gz YQKZIQLQHXJFQW-KBPBESRZSA-N 1 0 432.315 2.601 20 0 IFADRO COc1nnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868195 721187757 /nfs/dbraw/zinc/18/77/57/721187757.db2.gz KXKKLAWUZFCFEG-LSDHHAIUSA-N 1 0 425.867 2.558 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CCc5ccccc54)C[C@@H]3C2)cn1 ZINC001164771476 721193798 /nfs/dbraw/zinc/19/37/98/721193798.db2.gz QIPQNPAYZCPBCI-VXKWHMMOSA-N 1 0 442.567 2.976 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)CCC[C@@H](CNC(=O)c3ccccc3)O4)n2)CC1 ZINC001164877420 721258003 /nfs/dbraw/zinc/25/80/03/721258003.db2.gz RJBCJZJVHHTFRR-NVQXNPDNSA-N 1 0 449.599 2.781 20 0 IFADRO Cc1cc2c(ncnc2N2CC3(C2)CC[N@H+](CC2CC2)C3)n1S(=O)(=O)c1ccccc1 ZINC001164768090 721282539 /nfs/dbraw/zinc/28/25/39/721282539.db2.gz JNAAGSDRWATYQO-UHFFFAOYSA-N 1 0 437.569 2.899 20 0 IFADRO Cc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(-c2cccs2)n1 ZINC001164875783 721288380 /nfs/dbraw/zinc/28/83/80/721288380.db2.gz GSPMQDCWOHNDGG-UHFFFAOYSA-N 1 0 429.590 2.521 20 0 IFADRO Cc1ccc(N2CCO[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]32)nn1 ZINC001164777201 721310073 /nfs/dbraw/zinc/31/00/73/721310073.db2.gz RRMBPCUTAGOSCS-ZEQRLZLVSA-N 1 0 442.567 2.832 20 0 IFADRO CCN(C)c1cc(C)[nH+]c(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164776523 721330842 /nfs/dbraw/zinc/33/08/42/721330842.db2.gz FZQGFVQLAIVROR-QHCPKHFHSA-N 1 0 428.581 2.965 20 0 IFADRO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3ncn4C)C2)C1 ZINC001164778302 721345290 /nfs/dbraw/zinc/34/52/90/721345290.db2.gz MFBBCVISFTXUQN-NRFANRHFSA-N 1 0 445.955 2.741 20 0 IFADRO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nccc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164779954 721360830 /nfs/dbraw/zinc/36/08/30/721360830.db2.gz BHTAPXKQUZSWPL-DEOSSOPVSA-N 1 0 440.592 2.667 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)Oc4cccnc4Cl)C3)O2)CC1 ZINC001164890442 721395465 /nfs/dbraw/zinc/39/54/65/721395465.db2.gz NIZFNNFZENVBLV-QFBILLFUSA-N 1 0 430.927 2.925 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(Cl)n1 ZINC001164884065 721401275 /nfs/dbraw/zinc/40/12/75/721401275.db2.gz DAGBCIQEDHDGIV-LPHOPBHVSA-N 1 0 429.943 2.749 20 0 IFADRO CSc1nc2c(c(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)n1)CCCC2 ZINC001164892922 721407720 /nfs/dbraw/zinc/40/77/20/721407720.db2.gz ZFQQNSBYXOUVDS-MBSDFSHPSA-N 1 0 431.650 2.843 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(C(=O)OC(C)(C)C)cn4)C3)O2)CC1 ZINC001164892970 721410622 /nfs/dbraw/zinc/41/06/22/721410622.db2.gz ZPIYNKQSRGXZLP-RDPSFJRHSA-N 1 0 430.593 2.802 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4N)C3)O2)CC1 ZINC001164886249 721414455 /nfs/dbraw/zinc/41/44/55/721414455.db2.gz IJXDUDODPVOBSI-KXBFYZLASA-N 1 0 429.943 2.628 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)COc4cccc(Cl)n4)C3)O2)CC1 ZINC001164886511 721421384 /nfs/dbraw/zinc/42/13/84/721421384.db2.gz JIVNMZJMJRFMNZ-PXNSSMCTSA-N 1 0 444.954 2.968 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(N)c4)C3)O2)CC1 ZINC001164897422 721430900 /nfs/dbraw/zinc/43/09/00/721430900.db2.gz UAABQTWSNRZQHJ-VQIMIIECSA-N 1 0 429.943 2.628 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5sc6c(c54)CCC6)C3)O2)CC1 ZINC001164890741 721433266 /nfs/dbraw/zinc/43/32/66/721433266.db2.gz DSSQQSKHLBHDHL-HXOBKFHXSA-N 1 0 427.618 2.945 20 0 IFADRO COc1cccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164891516 721435780 /nfs/dbraw/zinc/43/57/80/721435780.db2.gz GWBYPTPHZXWLBG-RCZVLFRGSA-N 1 0 437.588 2.918 20 0 IFADRO Cc1nc(C)c(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)s1 ZINC001164899462 721444381 /nfs/dbraw/zinc/44/43/81/721444381.db2.gz YLUZAETUGXIRHL-WMZHIEFXSA-N 1 0 442.633 2.982 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(N3CCCC3)n1)CC2 ZINC001164790344 721447650 /nfs/dbraw/zinc/44/76/50/721447650.db2.gz YMFDHHNQJSEGNH-OAQYLSRUSA-N 1 0 429.609 2.811 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cncc(OCC5CCCC5)n4)C3)O2)CC1 ZINC001164889629 721449197 /nfs/dbraw/zinc/44/91/97/721449197.db2.gz OLTNXCUJKXQKAA-QPPBQGQZSA-N 1 0 429.609 2.811 20 0 IFADRO CCCSc1ncnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1OC ZINC001164892727 721451120 /nfs/dbraw/zinc/45/11/20/721451120.db2.gz XMDABGZHCKVMMC-PGRDOPGGSA-N 1 0 435.638 2.753 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)ncc1C(N)=O)CC2 ZINC001164785942 721452099 /nfs/dbraw/zinc/45/20/99/721452099.db2.gz JFRSGOZUTRYHSI-QGZVFWFLSA-N 1 0 436.984 2.568 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(C(N)=S)c5ccsc54)C3)O2)CC1 ZINC001164892738 721452465 /nfs/dbraw/zinc/45/24/65/721452465.db2.gz XSSRSWCGXLRNLQ-KSFYIVLOSA-N 1 0 445.658 2.696 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)OC)c(C)n1)CC2 ZINC001164789869 721457980 /nfs/dbraw/zinc/45/79/80/721457980.db2.gz YAJSIZILRSGXJU-HXUWFJFHSA-N 1 0 431.577 2.911 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+][n-]c(Cl)c3ncnc1-3)CC2 ZINC001164783714 721462331 /nfs/dbraw/zinc/46/23/31/721462331.db2.gz FYYHVCNXKSZSSV-MRXNPFEDSA-N 1 0 434.972 2.740 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-n3cnc(C)c3)nn1)CC2 ZINC001164787546 721463731 /nfs/dbraw/zinc/46/37/31/721463731.db2.gz RGTIWQNUZGMLBU-NRFANRHFSA-N 1 0 440.592 2.705 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN([C@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164789293 721471003 /nfs/dbraw/zinc/47/10/03/721471003.db2.gz MEFUPZAUXINTPK-PXNSSMCTSA-N 1 0 442.963 2.991 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@@H](F)Oc1ccc(Cl)nn1)CC2 ZINC001164790657 721474100 /nfs/dbraw/zinc/47/41/00/721474100.db2.gz TYGKHWOZTIXWJA-YLJYHZDGSA-N 1 0 442.963 2.991 20 0 IFADRO O=C(C[C@@H]1COC[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21)N1CCC(F)CC1 ZINC001164896956 721478598 /nfs/dbraw/zinc/47/85/98/721478598.db2.gz YNDZGZRZJLNAAJ-RZUBCFFCSA-N 1 0 430.568 2.727 20 0 IFADRO Fc1cccnc1OC[C@@]12COC[C@@H]1CN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164793224 721487199 /nfs/dbraw/zinc/48/71/99/721487199.db2.gz QEOHHJBPAPGFHB-FDDCHVKYSA-N 1 0 428.508 2.622 20 0 IFADRO Cc1ccc(-c2nc3c(ncnc3N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)o2)cc1 ZINC001164794380 721519246 /nfs/dbraw/zinc/51/92/46/721519246.db2.gz CMXILVIBFJYLND-UHFFFAOYSA-N 1 0 444.543 2.557 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)CC3)CC1 ZINC001164794335 721522703 /nfs/dbraw/zinc/52/27/03/721522703.db2.gz BUYBLZFYBQSNLX-UHFFFAOYSA-N 1 0 436.938 2.819 20 0 IFADRO COc1cc2cnc(Cl)cc2cc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164795063 721523117 /nfs/dbraw/zinc/52/31/17/721523117.db2.gz JCAPBWSWEXKRGW-UHFFFAOYSA-N 1 0 426.952 2.861 20 0 IFADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902612 721536001 /nfs/dbraw/zinc/53/60/01/721536001.db2.gz AMXRLGWASYSIMA-NVXWUHKLSA-N 1 0 434.899 2.717 20 0 IFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164903138 721553837 /nfs/dbraw/zinc/55/38/37/721553837.db2.gz AYLYHHQYPCGOTG-QUCCMNQESA-N 1 0 448.564 2.593 20 0 IFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904259 721567020 /nfs/dbraw/zinc/56/70/20/721567020.db2.gz DQRMCBOJWVFWJZ-UKPHBRMFSA-N 1 0 434.899 2.888 20 0 IFADRO Cc1cccc(CN2CCO[C@@H]3CN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC[C@@H]3C2=O)n1 ZINC001164802699 721603072 /nfs/dbraw/zinc/60/30/72/721603072.db2.gz SUVSDEHKOJKPOI-XZOQPEGZSA-N 1 0 435.572 2.633 20 0 IFADRO CCOC(=O)c1cnc(OC)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904903 721700169 /nfs/dbraw/zinc/70/01/69/721700169.db2.gz HNTMVYXEZRBWFI-NRFANRHFSA-N 1 0 447.486 2.795 20 0 IFADRO COC(=O)CSc1cncc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912222 721728640 /nfs/dbraw/zinc/72/86/40/721728640.db2.gz NDPPFXUQAQMHTH-HXUWFJFHSA-N 1 0 449.527 2.874 20 0 IFADRO CNC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912226 721736661 /nfs/dbraw/zinc/73/66/61/721736661.db2.gz NGUXWACABNJGDQ-IBGZPJMESA-N 1 0 436.894 2.622 20 0 IFADRO O=C1CSc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2N1 ZINC001164912610 721737233 /nfs/dbraw/zinc/73/72/33/721737233.db2.gz OVHYZZQUMONRSE-IBGZPJMESA-N 1 0 432.500 2.654 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@@H]3OCCC[C@H]32)nc1 ZINC001165013177 721758085 /nfs/dbraw/zinc/75/80/85/721758085.db2.gz JUMNWNZTLKGIDU-GNXKAVGDSA-N 1 0 438.576 2.528 20 0 IFADRO c1cnn(CCCO[C@H]2CC[C@@H]3[C@@H]2OCCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001165022414 721781372 /nfs/dbraw/zinc/78/13/72/721781372.db2.gz RGQMYBMEUNTQPU-DPLHUUCSSA-N 1 0 441.576 2.596 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(S(N)(=O)=O)cc3Cl)C[C@H]21 ZINC001165018794 721809282 /nfs/dbraw/zinc/80/92/82/721809282.db2.gz AFWOXZPQFUDXQM-POZUXBRTSA-N 1 0 435.981 2.514 20 0 IFADRO CN1c2cnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001165027469 721813548 /nfs/dbraw/zinc/81/35/48/721813548.db2.gz UVKMGIVNPQAUOC-NRDMVMEKSA-N 1 0 447.587 2.554 20 0 IFADRO COC(OC)c1c(CO)ccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025241 721820062 /nfs/dbraw/zinc/82/00/62/721820062.db2.gz MBELFSBULVGQSI-DZFGPLHGSA-N 1 0 426.561 2.997 20 0 IFADRO CCNS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165018765 721823942 /nfs/dbraw/zinc/82/39/42/721823942.db2.gz AFSXPZJOTAEIHP-DZFGPLHGSA-N 1 0 429.590 2.512 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)NC4CC4)cn3)C[C@H]21 ZINC001165024605 721824747 /nfs/dbraw/zinc/82/47/47/721824747.db2.gz KRQFCQPBQWXYAD-MTNREXPMSA-N 1 0 441.601 2.654 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3S(N)(=O)=O)C[C@@H]21 ZINC001165025755 721827930 /nfs/dbraw/zinc/82/79/30/721827930.db2.gz NTINIINEXWBGSP-BHYGNILZSA-N 1 0 435.981 2.514 20 0 IFADRO COC(=O)c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1OC ZINC001165020216 721838369 /nfs/dbraw/zinc/83/83/69/721838369.db2.gz GEMOWMUDKZOPBV-UHFFFAOYSA-N 1 0 429.517 2.995 20 0 IFADRO CCOC(=O)c1cnc(OC)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165020300 721840350 /nfs/dbraw/zinc/84/03/50/721840350.db2.gz HOWZDPPWIUDEDV-UHFFFAOYSA-N 1 0 444.532 2.780 20 0 IFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(C(=O)NCc2ccccc2)cc(Cl)n1 ZINC001164923471 721854131 /nfs/dbraw/zinc/85/41/31/721854131.db2.gz APJRFTJKRWHBGF-VQTJNVASSA-N 1 0 427.980 2.880 20 0 IFADRO C[C@H]1C(=O)NCCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001165039204 721883269 /nfs/dbraw/zinc/88/32/69/721883269.db2.gz YUCGOFSZMZFAOW-HNNXBMFYSA-N 1 0 440.931 2.721 20 0 IFADRO COC(=O)c1cc2ccc(N3CCC[C@H]([NH+](C)C)C3)nc2n1S(=O)(=O)c1ccccc1 ZINC001165040437 721892320 /nfs/dbraw/zinc/89/23/20/721892320.db2.gz WDIKXOPBNFOMPL-KRWDZBQOSA-N 1 0 442.541 2.590 20 0 IFADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2nc3scnc3c(N3CCOCC3)n2)c1 ZINC001164938589 721912057 /nfs/dbraw/zinc/91/20/57/721912057.db2.gz GHIYYJNWKXAKAE-GASCZTMLSA-N 1 0 428.587 2.838 20 0 IFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(CN5C(=O)CCC5=O)cn4)CC3)C2)cc1 ZINC001164940744 721929024 /nfs/dbraw/zinc/92/90/24/721929024.db2.gz ZTYALMBTQCQEKO-UHFFFAOYSA-N 1 0 448.567 2.910 20 0 IFADRO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164957472 722029095 /nfs/dbraw/zinc/02/90/95/722029095.db2.gz MDIXHCJSPDHTII-WOIUINJBSA-N 1 0 428.508 2.906 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@@H]3COC[C@H]32)nc1 ZINC001164962483 722038047 /nfs/dbraw/zinc/03/80/47/722038047.db2.gz NQQRCSMURVIJOJ-NNXSRULWSA-N 1 0 437.588 2.991 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)nc1 ZINC001164961243 722045764 /nfs/dbraw/zinc/04/57/64/722045764.db2.gz YBCOSPCFWRDMPJ-YADHBBJMSA-N 1 0 442.604 2.863 20 0 IFADRO O=C(c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2)N1CCCC1 ZINC001164958126 722051744 /nfs/dbraw/zinc/05/17/44/722051744.db2.gz CYSCDACDYWXJFB-UHFFFAOYSA-N 1 0 435.572 2.832 20 0 IFADRO COC(=O)c1cc2ccncc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964702 722056765 /nfs/dbraw/zinc/05/67/65/722056765.db2.gz WWNUDNXCRDUUSW-UHFFFAOYSA-N 1 0 447.539 2.930 20 0 IFADRO CC(C)(C)OC(=O)Nc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164985281 722105307 /nfs/dbraw/zinc/10/53/07/722105307.db2.gz WEUUNYNYBUKNLN-MOPGFXCFSA-N 1 0 440.548 2.946 20 0 IFADRO COc1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164983953 722105755 /nfs/dbraw/zinc/10/57/55/722105755.db2.gz RJSKKACLVPEZTE-MBSDFSHPSA-N 1 0 435.528 2.769 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1OCC ZINC001164981465 722115949 /nfs/dbraw/zinc/11/59/49/722115949.db2.gz UCKBSKIFPCDAFJ-DENIHFKCSA-N 1 0 440.544 2.779 20 0 IFADRO COC(=O)c1cc2ccncc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973884 722123322 /nfs/dbraw/zinc/12/33/22/722123322.db2.gz HUHQBWXELMCMPS-SIKLNZKXSA-N 1 0 433.512 2.539 20 0 IFADRO COc1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c(OC)c1 ZINC001164981908 722123579 /nfs/dbraw/zinc/12/35/79/722123579.db2.gz VKEULJJYHKBDDS-PGRDOPGGSA-N 1 0 435.528 2.769 20 0 IFADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977579 722126220 /nfs/dbraw/zinc/12/62/20/722126220.db2.gz NPLWRPZRVMBSNL-FGZHOGPDSA-N 1 0 445.571 2.727 20 0 IFADRO CSc1nc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164984178 722131447 /nfs/dbraw/zinc/13/14/47/722131447.db2.gz WAJGAVXLTCUJIZ-JKSUJKDBSA-N 1 0 428.587 2.931 20 0 IFADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975088 722142726 /nfs/dbraw/zinc/14/27/26/722142726.db2.gz DVLCHMCKQZANRC-GJZGRUSLSA-N 1 0 449.893 2.625 20 0 IFADRO FC(F)(COc1cncc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976062 722143905 /nfs/dbraw/zinc/14/39/05/722143905.db2.gz GXZFTFZNUFBKAO-DLBZAZTESA-N 1 0 439.894 2.720 20 0 IFADRO Clc1nc2c(Cl)ncnc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985007 722150002 /nfs/dbraw/zinc/15/00/02/722150002.db2.gz YTSKVBSOVNOLLL-CABCVRRESA-N 1 0 446.342 2.849 20 0 IFADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975442 722156287 /nfs/dbraw/zinc/15/62/87/722156287.db2.gz SVSXGMJFKRQJGL-RDJZCZTQSA-N 1 0 439.894 2.806 20 0 IFADRO FC(F)(Oc1cnc(Cl)cn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972133 722157327 /nfs/dbraw/zinc/15/73/27/722157327.db2.gz FUXZVVDIQIZPQL-HOTGVXAUSA-N 1 0 425.867 2.677 20 0 IFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c(n(C)nc3C(=O)N3CCOCC3)C2)nc1 ZINC001164971714 722160260 /nfs/dbraw/zinc/16/02/60/722160260.db2.gz DLKGIWOCZQXJDT-FQEVSTJZSA-N 1 0 438.576 2.745 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C2)nc1)C1CC1 ZINC001164993481 722187234 /nfs/dbraw/zinc/18/72/34/722187234.db2.gz ZUGXDLGCGGKFMN-UPVQGACJSA-N 1 0 440.613 2.858 20 0 IFADRO O=C(NC1CCOCC1)c1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164996484 722210975 /nfs/dbraw/zinc/21/09/75/722210975.db2.gz NNSWAPZWMXAHRO-DEOSSOPVSA-N 1 0 439.535 2.769 20 0 IFADRO C[N@H+](Cc1ccc(N2CCC[C@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1)C1CC1 ZINC001164998237 722219077 /nfs/dbraw/zinc/21/90/77/722219077.db2.gz HKCPCVXPCGNKSX-DEOSSOPVSA-N 1 0 434.544 2.503 20 0 IFADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001028 722252121 /nfs/dbraw/zinc/25/21/21/722252121.db2.gz YVIXNQJBTBKZIK-UHFFFAOYSA-N 1 0 435.956 2.905 20 0 IFADRO COc1ccc2nc(Cl)cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2n1 ZINC001165002942 722254112 /nfs/dbraw/zinc/25/41/12/722254112.db2.gz XWRFBGJGNMGICZ-UHFFFAOYSA-N 1 0 430.940 2.977 20 0 IFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2)C1 ZINC001165003396 722256391 /nfs/dbraw/zinc/25/63/91/722256391.db2.gz BREIPUKCPDJLCT-LJQANCHMSA-N 1 0 440.592 2.639 20 0 IFADRO O=C1CN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)CC2(CC[NH2+]CC2)N1 ZINC001164392694 718809860 /nfs/dbraw/zinc/80/98/60/718809860.db2.gz NXAYXCBRADWKJU-UHFFFAOYSA-N 1 0 425.842 2.539 20 0 IFADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164388674 718825593 /nfs/dbraw/zinc/82/55/93/718825593.db2.gz DOJJFRUWWIACRU-HZPDHXFCSA-N 1 0 426.851 2.701 20 0 IFADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164388670 718825725 /nfs/dbraw/zinc/82/57/25/718825725.db2.gz DOJJFRUWWIACRU-CVEARBPZSA-N 1 0 426.851 2.701 20 0 IFADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCN3CC[NH2+]C[C@@H]3C2)c2ccccc21 ZINC001164398370 718836044 /nfs/dbraw/zinc/83/60/44/718836044.db2.gz FDIJENNGJBMPTI-CQSZACIVSA-N 1 0 432.906 2.927 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCN5CC[NH2+]C[C@H]5C4)c23)C1 ZINC001164408041 718839834 /nfs/dbraw/zinc/83/98/34/718839834.db2.gz XULXUAPRSDGFKA-SJORKVTESA-N 1 0 426.634 2.506 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCN5CC[NH2+]C[C@@H]5C4)c23)C1 ZINC001164402707 718839871 /nfs/dbraw/zinc/83/98/71/718839871.db2.gz GJDYGDWRSFPMTA-QZTJIDSGSA-N 1 0 440.661 2.896 20 0 IFADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)c2ccccc21 ZINC001164410256 718852354 /nfs/dbraw/zinc/85/23/54/718852354.db2.gz ZOEQRSANEJUIRF-RBZFPXEDSA-N 1 0 433.890 2.852 20 0 IFADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)c2ccccc21 ZINC001164410257 718852451 /nfs/dbraw/zinc/85/24/51/718852451.db2.gz ZOEQRSANEJUIRF-RNODOKPDSA-N 1 0 433.890 2.852 20 0 IFADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164407779 718865142 /nfs/dbraw/zinc/86/51/42/718865142.db2.gz JUXFGMDABURHFT-NVXWUHKLSA-N 1 0 440.878 2.948 20 0 IFADRO Cc1sc2nc(CN3CCCC3)nc(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c2c1C ZINC001164416564 718885522 /nfs/dbraw/zinc/88/55/22/718885522.db2.gz ZPAXNGKUSOYTQN-UHFFFAOYSA-N 1 0 438.605 2.594 20 0 IFADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)c2c1C ZINC001164423456 718916642 /nfs/dbraw/zinc/91/66/42/718916642.db2.gz GVEYOFYEPTXLDW-HSZRJFAPSA-N 1 0 445.633 2.879 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164435066 718968099 /nfs/dbraw/zinc/96/80/99/718968099.db2.gz YIYCAEQGWVIZLD-CHWSQXEVSA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(C)nnc1Cl)C2 ZINC001164431793 718970785 /nfs/dbraw/zinc/97/07/85/718970785.db2.gz BOPXATBSYAOPFB-ZIAGYGMSSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(CN(CC)CC)nc2sc(C)c(C)c21 ZINC001164619352 719017729 /nfs/dbraw/zinc/01/77/29/719017729.db2.gz VVUXUGORJYHBBC-ULQDDVLXSA-N 1 0 431.606 2.880 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc(C(=O)OC)ccc43)CC2)CC1 ZINC001164614710 719022546 /nfs/dbraw/zinc/02/25/46/719022546.db2.gz XCONZJPACBCPMI-UHFFFAOYSA-N 1 0 426.517 2.660 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc(OC)cc(OC)c43)CC2)CC1 ZINC001164618660 719028222 /nfs/dbraw/zinc/02/82/22/719028222.db2.gz ZKWNJQPHAHBZEQ-UHFFFAOYSA-N 1 0 428.533 2.891 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(Cl)c(C(=O)OC)c3OC)CC2)CC1 ZINC001164618677 719030541 /nfs/dbraw/zinc/03/05/41/719030541.db2.gz ZPZUXWQSHULSFG-UHFFFAOYSA-N 1 0 439.940 2.774 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC2)CC1 ZINC001164618047 719032067 /nfs/dbraw/zinc/03/20/67/719032067.db2.gz RMJUNMBCQBGJAG-UHFFFAOYSA-N 1 0 442.898 2.747 20 0 IFADRO COC(=O)C1CCN(c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)CC1 ZINC001164621946 719085632 /nfs/dbraw/zinc/08/56/32/719085632.db2.gz IMEICHJZFGMSAK-YADHBBJMSA-N 1 0 435.572 2.967 20 0 IFADRO O=S(=O)(c1ccnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1)N1CCCC1 ZINC001164632491 719104599 /nfs/dbraw/zinc/10/45/99/719104599.db2.gz ZOSPAVSQTLNHMG-IRLDBZIGSA-N 1 0 426.586 2.967 20 0 IFADRO O=S(=O)(c1ccnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1)N1CCCC1 ZINC001164632499 719104660 /nfs/dbraw/zinc/10/46/60/719104660.db2.gz ZOSPAVSQTLNHMG-UNMCSNQZSA-N 1 0 426.586 2.967 20 0 IFADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[NH2+]C[C@H]2C(=O)OC)cc1 ZINC001164631739 719135225 /nfs/dbraw/zinc/13/52/25/719135225.db2.gz OGTHJLOCLBDJGZ-HNNXBMFYSA-N 1 0 439.846 2.685 20 0 IFADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164663845 719346702 /nfs/dbraw/zinc/34/67/02/719346702.db2.gz NQXNEMHHWGUYIE-UHFFFAOYSA-N 1 0 429.572 2.817 20 0 IFADRO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H]5OCC[N@H+](C)[C@@H]5C3)n2)CCC4)CC1 ZINC001164665933 719443028 /nfs/dbraw/zinc/44/30/28/719443028.db2.gz ABDSHFKASFTGAM-QZTJIDSGSA-N 1 0 427.618 2.931 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@H]5OCC[N@H+](C)[C@H]5C4)c23)C1 ZINC001164669435 719443508 /nfs/dbraw/zinc/44/35/08/719443508.db2.gz MBZWQXVATJJQEQ-BPQIPLTHSA-N 1 0 427.618 2.931 20 0 IFADRO COC(=O)c1ccc(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1Cl ZINC001164684184 719612821 /nfs/dbraw/zinc/61/28/21/719612821.db2.gz MXINRVFWOQFYJU-UHFFFAOYSA-N 1 0 427.883 2.802 20 0 IFADRO CN(C)c1nccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680992 719664541 /nfs/dbraw/zinc/66/45/41/719664541.db2.gz KVEFBALQHWWUQL-IBGZPJMESA-N 1 0 436.604 2.636 20 0 IFADRO CNC(=O)c1cccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681072 719672949 /nfs/dbraw/zinc/67/29/49/719672949.db2.gz JHJRGAPSQAFEOM-IBGZPJMESA-N 1 0 449.599 2.535 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164685766 719727966 /nfs/dbraw/zinc/72/79/66/719727966.db2.gz NJDSZNBNSOJVPV-UHFFFAOYSA-N 1 0 434.903 2.637 20 0 IFADRO CCNS(=O)(=O)c1cccnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164694040 719811155 /nfs/dbraw/zinc/81/11/55/719811155.db2.gz UDABIIQVMGELND-UHFFFAOYSA-N 1 0 435.619 2.780 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)nc1 ZINC001164702951 719884973 /nfs/dbraw/zinc/88/49/73/719884973.db2.gz RMLQFTPLBGGRLL-IVAOSVALSA-N 1 0 436.560 2.756 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)nc1 ZINC001164703102 719923164 /nfs/dbraw/zinc/92/31/64/719923164.db2.gz IPYBADGGOYPEBV-GXRSIYKFSA-N 1 0 428.577 2.881 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001164810980 720074104 /nfs/dbraw/zinc/07/41/04/720074104.db2.gz MNAPQFFMLORQCX-LIRRHRJNSA-N 1 0 428.911 2.564 20 0 IFADRO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)cn1 ZINC001164709381 720077936 /nfs/dbraw/zinc/07/79/36/720077936.db2.gz DLOGIWNDLATETO-QZTJIDSGSA-N 1 0 448.905 2.774 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)c(C(=O)OC)cn1)CC2 ZINC001164711030 720100858 /nfs/dbraw/zinc/10/08/58/720100858.db2.gz NHPAYVPPFWJBTP-LJQANCHMSA-N 1 0 440.544 2.779 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3nc(C(=O)OC)cc-3c(OC)[nH]1)C2 ZINC001164813785 720112012 /nfs/dbraw/zinc/11/20/12/720112012.db2.gz QNSKNHHPOWBFEV-HJPURHCSSA-N 1 0 428.533 2.543 20 0 IFADRO CCOC(=O)c1c(C)ncnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716848 720119938 /nfs/dbraw/zinc/11/99/38/720119938.db2.gz KZAOQAYJUZIUNO-FQEVSTJZSA-N 1 0 439.560 2.864 20 0 IFADRO CCOC(=O)c1c(C)ncnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716852 720120369 /nfs/dbraw/zinc/12/03/69/720120369.db2.gz KZAOQAYJUZIUNO-HXUWFJFHSA-N 1 0 439.560 2.864 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[nH]c(C(=O)OC)cc31)C2 ZINC001164809942 720135519 /nfs/dbraw/zinc/13/55/19/720135519.db2.gz IUOUSHIEDZZYPD-SPLOXXLWSA-N 1 0 433.940 2.583 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[nH]cc(C(=O)OC)c31)C2 ZINC001164816736 720158165 /nfs/dbraw/zinc/15/81/65/720158165.db2.gz MMWPPPQIXPOEEI-SZNDQCEHSA-N 1 0 433.940 2.583 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)Nc1cc(C)on1)C2 ZINC001164820275 720162783 /nfs/dbraw/zinc/16/27/83/720162783.db2.gz ZXGLTDQAIWIABN-FDDCHVKYSA-N 1 0 425.533 2.815 20 0 IFADRO Cn1nnc2c1CCN(c1nnc(Cl)c3ccsc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720029 720173601 /nfs/dbraw/zinc/17/36/01/720173601.db2.gz ZKYVCVJQCWDTTF-OAHLLOKOSA-N 1 0 433.969 2.689 20 0 IFADRO Cn1nnc2c1CCN(c1nccc(Oc3ccccc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164720172 720174192 /nfs/dbraw/zinc/17/41/92/720174192.db2.gz ZXBJJTKRGQSUPO-FQEVSTJZSA-N 1 0 435.532 2.614 20 0 IFADRO Cn1nnc2c1CCN(c1cc(Cl)nc3ncccc13)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717678 720178499 /nfs/dbraw/zinc/17/84/99/720178499.db2.gz LJEJXYMJEOVPBM-GOSISDBHSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c1CCCCC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164717646 720179840 /nfs/dbraw/zinc/17/98/40/720179840.db2.gz LBJNAHXURVMPKO-IBGZPJMESA-N 1 0 445.999 2.744 20 0 IFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c1CCCCC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717648 720179885 /nfs/dbraw/zinc/17/98/85/720179885.db2.gz LBJNAHXURVMPKO-LJQANCHMSA-N 1 0 445.999 2.744 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1nc(Cl)ccc1F)[C@H]2COCC[NH+]1CCCC1 ZINC001164715480 720180661 /nfs/dbraw/zinc/18/06/61/720180661.db2.gz CSHQSEXIIIHDML-HNNXBMFYSA-N 1 0 444.889 2.764 20 0 IFADRO COc1ccc2nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)cc(C)c2c1 ZINC001164719556 720183006 /nfs/dbraw/zinc/18/30/06/720183006.db2.gz WDJFREHIOBPCTN-QFIPXVFZSA-N 1 0 436.560 2.897 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1 ZINC001164718810 720187455 /nfs/dbraw/zinc/18/74/55/720187455.db2.gz RURHVCUUQNLGQD-INIZCTEOSA-N 1 0 440.926 2.933 20 0 IFADRO Cn1nnc2c1CCN(c1ccc(-c3cccs3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718396 720188104 /nfs/dbraw/zinc/18/81/04/720188104.db2.gz PLZXLQJQTPGEAM-SFHVURJKSA-N 1 0 425.562 2.550 20 0 IFADRO Cc1cccc2nc(Cl)nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164715628 720190366 /nfs/dbraw/zinc/19/03/66/720190366.db2.gz LJMCBZXGWPULOT-GOSISDBHSA-N 1 0 441.967 2.936 20 0 IFADRO Cc1cccc(-c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nn2)c1 ZINC001164716248 720197299 /nfs/dbraw/zinc/19/72/99/720197299.db2.gz PPMOJTDFGFCBEO-QFIPXVFZSA-N 1 0 433.560 2.797 20 0 IFADRO CCc1nc(Cl)c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(Cl)n1 ZINC001164714030 720198905 /nfs/dbraw/zinc/19/89/05/720198905.db2.gz FTVUVNLUYJVZFA-AWEZNQCLSA-N 1 0 440.379 2.691 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nc(C(=O)OC)nc1Cl)C2 ZINC001164810795 720200139 /nfs/dbraw/zinc/20/01/39/720200139.db2.gz CPTPWJHDFBDVQN-ORAYPTAESA-N 1 0 429.348 2.755 20 0 IFADRO Cc1csc2nc(C)nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164717593 720200326 /nfs/dbraw/zinc/20/03/26/720200326.db2.gz UWWMHENJCYCAQB-QGZVFWFLSA-N 1 0 427.578 2.653 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813384 720228630 /nfs/dbraw/zinc/22/86/30/720228630.db2.gz NRQDPQRWCIPQEM-UHFFFAOYSA-N 1 0 426.496 2.585 20 0 IFADRO CCOC(=O)c1cnc2cc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)[nH]cc1-2 ZINC001164813933 720234303 /nfs/dbraw/zinc/23/43/03/720234303.db2.gz RXQUNORJSTXUMY-UHFFFAOYSA-N 1 0 438.532 2.547 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(-c3ccncc3)n1)CCC2 ZINC001164816114 720246097 /nfs/dbraw/zinc/24/60/97/720246097.db2.gz GWUYSGLYGMRXOT-UHFFFAOYSA-N 1 0 439.951 2.999 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827409 720293542 /nfs/dbraw/zinc/29/35/42/720293542.db2.gz XOXQWNHTZFTDAN-JKSUJKDBSA-N 1 0 427.927 2.895 20 0 IFADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1Cl ZINC001164827416 720295764 /nfs/dbraw/zinc/29/57/64/720295764.db2.gz XOZBASVHOOFJLM-RTBURBONSA-N 1 0 434.968 2.823 20 0 IFADRO CCOC(=O)c1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1Cl ZINC001164827412 720295856 /nfs/dbraw/zinc/29/58/56/720295856.db2.gz XOZBASVHOOFJLM-OALUTQOASA-N 1 0 434.968 2.823 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C(=O)OC(C)(C)C)ccn2)CC1 ZINC001164821313 720300287 /nfs/dbraw/zinc/30/02/87/720300287.db2.gz JVXVEPVDNCGVGS-WOJBJXKFSA-N 1 0 428.577 2.948 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(CC(=O)NC)C3)nc1 ZINC001164722368 720305517 /nfs/dbraw/zinc/30/55/17/720305517.db2.gz KREHRPBJJIDFKB-RDGATRHJSA-N 1 0 443.636 2.683 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(Cl)n1 ZINC001164824493 720309123 /nfs/dbraw/zinc/30/91/23/720309123.db2.gz RDPZHVCXZWUSRH-CVEARBPZSA-N 1 0 427.927 2.895 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164820083 720311929 /nfs/dbraw/zinc/31/19/29/720311929.db2.gz GRGYZIZASCXTTI-YADHBBJMSA-N 1 0 436.556 2.933 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc2c1 ZINC001164821575 720313684 /nfs/dbraw/zinc/31/36/84/720313684.db2.gz KUBNBXVRCJKGMO-VXKWHMMOSA-N 1 0 436.556 2.933 20 0 IFADRO CSc1nc2c(c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n1)CCCC2 ZINC001164824597 720315744 /nfs/dbraw/zinc/31/57/44/720315744.db2.gz SAOHFHBHLLPGSO-UXHICEINSA-N 1 0 429.634 2.989 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(N)cc(Cl)n2)CC1 ZINC001164827747 720324289 /nfs/dbraw/zinc/32/42/89/720324289.db2.gz IFQCKPDDSSIKAO-JKSUJKDBSA-N 1 0 427.927 2.774 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(OCc3ccccc3)cnn2)CC1 ZINC001164826259 720324602 /nfs/dbraw/zinc/32/46/02/720324602.db2.gz FZXYLBOCXCYMGR-XZOQPEGZSA-N 1 0 435.572 2.967 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834327 720329986 /nfs/dbraw/zinc/32/99/86/720329986.db2.gz ZEFHHMURVFUNTE-DLBZAZTESA-N 1 0 445.999 2.972 20 0 IFADRO CCOC(=O)c1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001164833390 720332592 /nfs/dbraw/zinc/33/25/92/720332592.db2.gz WLAWEEMKSIVDQH-ZWKOTPCHSA-N 1 0 434.968 2.823 20 0 IFADRO CC1CCN(c2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)CC1 ZINC001164821504 720340228 /nfs/dbraw/zinc/34/02/28/720340228.db2.gz AMOKDQMRYFNWSO-LEWJYISDSA-N 1 0 426.609 2.624 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3cccnc3)nc3c2CCC3)CC1 ZINC001164825212 720347222 /nfs/dbraw/zinc/34/72/22/720347222.db2.gz IXORGHSHWJJCNR-PKTZIBPZSA-N 1 0 446.599 2.939 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccncc3)nc3c2CCC3)CC1 ZINC001164831295 720347239 /nfs/dbraw/zinc/34/72/39/720347239.db2.gz YUASARSOKGPFTO-DHIUTWEWSA-N 1 0 446.599 2.939 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cncc(OCC3CCCC3)n2)CC1 ZINC001164829736 720352467 /nfs/dbraw/zinc/35/24/67/720352467.db2.gz UEPDAEVHOANUTL-LEWJYISDSA-N 1 0 427.593 2.957 20 0 IFADRO CCCSc1ncnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1OC ZINC001164830286 720353816 /nfs/dbraw/zinc/35/38/16/720353816.db2.gz VRJDACDHTMHRIB-ZWKOTPCHSA-N 1 0 433.622 2.899 20 0 IFADRO C[NH+]1CCN(c2ccc(N3CCC(F)(F)[C@]4(CCN(c5ccccc5)C4)C3)nn2)CC1 ZINC001164822857 720393401 /nfs/dbraw/zinc/39/34/01/720393401.db2.gz MFWOEBJWSNWZNG-QFIPXVFZSA-N 1 0 428.531 2.971 20 0 IFADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)C1 ZINC001164727963 720444693 /nfs/dbraw/zinc/44/46/93/720444693.db2.gz FJXKNGOBCKBHKH-QHAWAJNXSA-N 1 0 436.560 2.504 20 0 IFADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)C1 ZINC001164727958 720445057 /nfs/dbraw/zinc/44/50/57/720445057.db2.gz FJXKNGOBCKBHKH-NJYVYQBISA-N 1 0 436.560 2.504 20 0 IFADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164735351 720448957 /nfs/dbraw/zinc/44/89/57/720448957.db2.gz WMNLUMQCCTXVRL-RTWAWAEBSA-N 1 0 429.590 2.797 20 0 IFADRO O=C(C[C@@H]1OC[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@H]21)N1CCCCC1 ZINC001164834070 720501981 /nfs/dbraw/zinc/50/19/81/720501981.db2.gz RHBLTDHDBWRAFH-VSKRKVRLSA-N 1 0 442.604 2.800 20 0 IFADRO O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164724454 720502154 /nfs/dbraw/zinc/50/21/54/720502154.db2.gz GIFVPESCTUWLMF-HYBUGGRVSA-N 1 0 437.544 2.575 20 0 IFADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837807 720509140 /nfs/dbraw/zinc/50/91/40/720509140.db2.gz PELQVSGVGNPCPK-SOLBZPMBSA-N 1 0 432.956 2.881 20 0 IFADRO COC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164832956 720516860 /nfs/dbraw/zinc/51/68/60/720516860.db2.gz CDTNGGPVBAKVLE-CNNODRBYSA-N 1 0 434.544 2.991 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ncc2c1 ZINC001164834321 720517731 /nfs/dbraw/zinc/51/77/31/720517731.db2.gz FPFZQWDLJFXUMV-JAXLGGSGSA-N 1 0 434.544 2.991 20 0 IFADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164735235 720520399 /nfs/dbraw/zinc/52/03/99/720520399.db2.gz WYXPDEFOPBOWSU-INIZCTEOSA-N 1 0 444.580 2.752 20 0 IFADRO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834232 720534645 /nfs/dbraw/zinc/53/46/45/720534645.db2.gz CYGLVTBOHTWGMG-IXDOHACOSA-N 1 0 432.956 2.881 20 0 IFADRO CCOC(=O)c1ncnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839360 720589409 /nfs/dbraw/zinc/58/94/09/720589409.db2.gz NJLLHHAKVKCUMM-YESZJQIVSA-N 1 0 432.956 2.881 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ccc3S(C)(=O)=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844107 720592290 /nfs/dbraw/zinc/59/22/90/720592290.db2.gz YPTQZQZJOJCJHG-YESZJQIVSA-N 1 0 437.997 2.713 20 0 IFADRO CN(C)c1cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(Cl)n1 ZINC001164745057 720593425 /nfs/dbraw/zinc/59/34/25/720593425.db2.gz UFMOYJIZIIZCCG-UHFFFAOYSA-N 1 0 425.915 2.596 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1C ZINC001164838737 720595474 /nfs/dbraw/zinc/59/54/74/720595474.db2.gz LJKCWUJLVDYUMN-IXDOHACOSA-N 1 0 428.972 2.899 20 0 IFADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739004 720720918 /nfs/dbraw/zinc/72/09/18/720720918.db2.gz HKCGOLYXDDYIEG-JKSUJKDBSA-N 1 0 432.862 2.960 20 0 IFADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164744822 720724316 /nfs/dbraw/zinc/72/43/16/720724316.db2.gz STMGOWHZCFJBOR-ZBFHGGJFSA-N 1 0 443.870 2.588 20 0 IFADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164739453 720728015 /nfs/dbraw/zinc/72/80/15/720728015.db2.gz IQZNNGMRNLNHJP-ZBFHGGJFSA-N 1 0 443.870 2.588 20 0 IFADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741117 720745515 /nfs/dbraw/zinc/74/55/15/720745515.db2.gz MFGPQXBZFUTMSM-VXGBXAGGSA-N 1 0 431.274 2.546 20 0 IFADRO O=C(NC1CCCC1)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1 ZINC001164746790 720768588 /nfs/dbraw/zinc/76/85/88/720768588.db2.gz YMPDBCROAHYFBP-ZWKOTPCHSA-N 1 0 442.951 2.539 20 0 IFADRO O=C(OCc1ccccc1)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164744055 720775373 /nfs/dbraw/zinc/77/53/73/720775373.db2.gz QXGKQANVOIJGNH-RTWAWAEBSA-N 1 0 431.496 2.571 20 0 IFADRO c1csc(-c2noc(-c3ccnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c3)n2)c1 ZINC001164747444 720787104 /nfs/dbraw/zinc/78/71/04/720787104.db2.gz OBXGUZHWHMLOMS-DLBZAZTESA-N 1 0 447.524 2.992 20 0 IFADRO COc1ccc(Cc2c(C)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2C)cc1 ZINC001164750423 720800654 /nfs/dbraw/zinc/80/06/54/720800654.db2.gz VOQVNSHEXLSVTL-UNMCSNQZSA-N 1 0 446.555 2.825 20 0 IFADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750042 720809897 /nfs/dbraw/zinc/80/98/97/720809897.db2.gz VAXJEZOYZAXWOL-ZHALLVOQSA-N 1 0 444.967 2.883 20 0 IFADRO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750036 720810005 /nfs/dbraw/zinc/81/00/05/720810005.db2.gz VAXJEZOYZAXWOL-JENIJYKNSA-N 1 0 444.967 2.883 20 0 IFADRO O=C(c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CCCCC1 ZINC001164747412 720812781 /nfs/dbraw/zinc/81/27/81/720812781.db2.gz OAGZFHYWKLSRJU-QNWVGRARSA-N 1 0 449.603 2.679 20 0 IFADRO O=C(c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CCCCC1 ZINC001164747408 720812888 /nfs/dbraw/zinc/81/28/88/720812888.db2.gz OAGZFHYWKLSRJU-MQSCRBSSSA-N 1 0 449.603 2.679 20 0 IFADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1Cl ZINC001164742336 720813510 /nfs/dbraw/zinc/81/35/10/720813510.db2.gz CWALCNUARPYZQJ-ABSDTBQOSA-N 1 0 444.967 2.883 20 0 IFADRO O=C([C@@H]1CC[C@@H]2[C@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1)N1CCCO1 ZINC001164848819 720819151 /nfs/dbraw/zinc/81/91/51/720819151.db2.gz NIFKANVLWQGPRD-SGNDLWITSA-N 1 0 448.567 2.930 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(Cl)n1 ZINC001164745107 720821938 /nfs/dbraw/zinc/82/19/38/720821938.db2.gz WHDULFDHYKNAPM-GVDBMIGSSA-N 1 0 437.926 2.954 20 0 IFADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745977 720822043 /nfs/dbraw/zinc/82/20/43/720822043.db2.gz XQRGPQXWLYZJSH-JFIYKMOQSA-N 1 0 426.956 2.593 20 0 IFADRO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)SCC2 ZINC001164741288 720822697 /nfs/dbraw/zinc/82/26/97/720822697.db2.gz NEAPPJLIDJWXRL-HLLBOEOZSA-N 1 0 431.997 2.749 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741904 720823744 /nfs/dbraw/zinc/82/37/44/720823744.db2.gz PBKVLUYFJXHBRG-QZNHQXDQSA-N 1 0 446.555 2.992 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2[nH]1 ZINC001164741279 720823822 /nfs/dbraw/zinc/82/38/22/720823822.db2.gz NANTZTPDRIZBAL-SFHLNBCPSA-N 1 0 449.559 2.711 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2[nH]1 ZINC001164741280 720823903 /nfs/dbraw/zinc/82/39/03/720823903.db2.gz NANTZTPDRIZBAL-SVFBPWRDSA-N 1 0 449.559 2.711 20 0 IFADRO Fc1ncccc1-c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749741 720838791 /nfs/dbraw/zinc/83/87/91/720838791.db2.gz WQIQMYAOBLTDAE-WAOWUJCRSA-N 1 0 434.523 2.649 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)CC[C@@H]2C1 ZINC001164854312 720841686 /nfs/dbraw/zinc/84/16/86/720841686.db2.gz RCVFNDFYZLAHKI-IEBWSBKVSA-N 1 0 436.984 2.535 20 0 IFADRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccccn2)n1 ZINC001164740496 720846021 /nfs/dbraw/zinc/84/60/21/720846021.db2.gz BZKGXBINSILVGV-TUNNFDKTSA-N 1 0 430.560 2.818 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)nn1 ZINC001164741198 720849141 /nfs/dbraw/zinc/84/91/41/720849141.db2.gz DTBARSBAAPKPJL-XYJFISCASA-N 1 0 437.926 2.954 20 0 IFADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164857895 720849661 /nfs/dbraw/zinc/84/96/61/720849661.db2.gz YXDIWGQMDGWBPP-FUHWJXTLSA-N 1 0 446.573 2.555 20 0 IFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164753577 720853521 /nfs/dbraw/zinc/85/35/21/720853521.db2.gz YEBWEDYVRXZJJD-FDFHNCONSA-N 1 0 436.608 2.828 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)CC[C@@H]2C1 ZINC001164860222 720857429 /nfs/dbraw/zinc/85/74/29/720857429.db2.gz VZRYHZLDSSMFPZ-QUCCMNQESA-N 1 0 432.952 2.883 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)CC[C@H]2C1 ZINC001164854852 720860446 /nfs/dbraw/zinc/86/04/46/720860446.db2.gz LEXCDOYMDFIQQQ-SIKLNZKXSA-N 1 0 439.535 2.792 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)CC[C@@H]2C1 ZINC001164853147 720865015 /nfs/dbraw/zinc/86/50/15/720865015.db2.gz GOWAUNUAKAAAEY-RHSMWYFYSA-N 1 0 437.903 2.630 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)CC[C@H]2C1 ZINC001164851548 720867510 /nfs/dbraw/zinc/86/75/10/720867510.db2.gz ATXJZSKIMDSQLV-KSSFIOAISA-N 1 0 442.894 2.881 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C(=O)NC4CCCC4)cc3Cl)CC[C@@H]2C1 ZINC001164855827 720878263 /nfs/dbraw/zinc/87/82/63/720878263.db2.gz HZCXMLQGXZYRRF-UZLBHIALSA-N 1 0 436.984 2.581 20 0 IFADRO Cn1cnc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164754354 720878315 /nfs/dbraw/zinc/87/83/15/720878315.db2.gz RLRBIFUJIPPHJH-GBXCKJPGSA-N 1 0 433.560 2.513 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)CC[C@H]2C1 ZINC001164861203 720885410 /nfs/dbraw/zinc/88/54/10/720885410.db2.gz PGPFPKONTJYDNS-GJZGRUSLSA-N 1 0 443.882 2.503 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccncc4)nc4sccc43)CC[C@@H]2C1 ZINC001164861510 720885526 /nfs/dbraw/zinc/88/55/26/720885526.db2.gz PPUGDPNHOUAVMZ-MJGOQNOKSA-N 1 0 425.558 2.927 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)CC[C@H]2C1 ZINC001164856709 720890159 /nfs/dbraw/zinc/89/01/59/720890159.db2.gz JAZXQNKIFYREFJ-GOEBONIOSA-N 1 0 448.898 2.545 20 0 IFADRO O=C1COc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2N1 ZINC001164758459 720893972 /nfs/dbraw/zinc/89/39/72/720893972.db2.gz YFAUWNSVCZDTLJ-CJFMBICVSA-N 1 0 449.555 2.563 20 0 IFADRO c1cn(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cn1 ZINC001164749936 720897504 /nfs/dbraw/zinc/89/75/04/720897504.db2.gz BAFZUOYDGWKTCC-RCZVLFRGSA-N 1 0 445.571 2.812 20 0 IFADRO c1cn(-c2cncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cn1 ZINC001164757115 720898848 /nfs/dbraw/zinc/89/88/48/720898848.db2.gz SPQKDJJIBNBBHO-DHLKQENFSA-N 1 0 445.571 2.812 20 0 IFADRO CC(C)n1ccc2c1nc(Cl)nc2N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164749518 720961566 /nfs/dbraw/zinc/96/15/66/720961566.db2.gz FIFMBZGLHXMTSM-UHFFFAOYSA-N 1 0 431.928 2.508 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)[C@H]2C ZINC001164857221 721000126 /nfs/dbraw/zinc/00/01/26/721000126.db2.gz DQLMQCKPJZSZPX-SFHVURJKSA-N 1 0 439.612 2.690 20 0 IFADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2ccc(C[N@H+](C)C3CC3)cn2)C1 ZINC001164759053 721015995 /nfs/dbraw/zinc/01/59/95/721015995.db2.gz KEKZCLQETHGQDL-OIBXWCBGSA-N 1 0 435.572 2.713 20 0 IFADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2ccc(C[NH+]3CCCC3)cn2)C1 ZINC001164757956 721016202 /nfs/dbraw/zinc/01/62/02/721016202.db2.gz GTMLVXDLCWYKRX-PUHATCMVSA-N 1 0 435.572 2.715 20 0 IFADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N(c2ccc(C[NH+]3CCCC3)cn2)C1 ZINC001164757954 721016602 /nfs/dbraw/zinc/01/66/02/721016602.db2.gz GTMLVXDLCWYKRX-AKIFATBCSA-N 1 0 435.572 2.715 20 0 IFADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N(c2ncccc2C[NH+]2CCCC2)C1 ZINC001164758021 721017408 /nfs/dbraw/zinc/01/74/08/721017408.db2.gz HNBWEHPJLOHYCV-MZYLBHOOSA-N 1 0 435.572 2.715 20 0 IFADRO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001164760938 721021580 /nfs/dbraw/zinc/02/15/80/721021580.db2.gz REHATIIEPLCNBP-XPWALMASSA-N 1 0 435.572 2.620 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c(-c4cnn(C)c4)nnn3C[C@H]2COC)nc1 ZINC001164761766 721024844 /nfs/dbraw/zinc/02/48/44/721024844.db2.gz SWTUJPDCXCTXRZ-PMACEKPBSA-N 1 0 436.564 2.656 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)nc1 ZINC001164862012 721038363 /nfs/dbraw/zinc/03/83/63/721038363.db2.gz JWMMJIZCPFIMMI-OAQYLSRUSA-N 1 0 436.560 2.821 20 0 IFADRO CCn1nnc2c1CCN(c1cccc(N3CC[NH+](C)CC3)n1)[C@H]2COCc1ccccc1 ZINC001164773451 721048704 /nfs/dbraw/zinc/04/87/04/721048704.db2.gz RTCGAQSQOJOQJA-QFIPXVFZSA-N 1 0 447.587 2.765 20 0 IFADRO O=C(NCc1ccccc1)c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868151 721054332 /nfs/dbraw/zinc/05/43/32/721054332.db2.gz NDUCHYMPJHXNIP-DHIUTWEWSA-N 1 0 443.551 2.886 20 0 IFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868889 721060167 /nfs/dbraw/zinc/06/01/67/721060167.db2.gz QXZOAOSXUWISHA-HOTGVXAUSA-N 1 0 438.910 2.616 20 0 IFADRO CCOC(=O)c1sc2ncnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164768515 721073727 /nfs/dbraw/zinc/07/37/27/721073727.db2.gz NMSPGLHFRWCKCK-SJORKVTESA-N 1 0 440.573 2.868 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C(=O)NCc4ccccc4)C[C@H]3C2)cn1 ZINC001164773093 721084550 /nfs/dbraw/zinc/08/45/50/721084550.db2.gz WATBHAFEDVUSIH-FGZHOGPDSA-N 1 0 430.556 2.703 20 0 IFADRO COc1cc2nc(C)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164867300 721090739 /nfs/dbraw/zinc/09/07/39/721090739.db2.gz XUAYVBZBOCLGRL-MOPGFXCFSA-N 1 0 435.528 2.830 20 0 IFADRO COC(=O)c1ccc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164769487 721098175 /nfs/dbraw/zinc/09/81/75/721098175.db2.gz ORNISCUMFJDIMQ-HUUCEWRRSA-N 1 0 439.894 2.758 20 0 IFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764876 721111371 /nfs/dbraw/zinc/11/13/71/721111371.db2.gz ILCFCHSDVLTASQ-GJZGRUSLSA-N 1 0 439.894 2.758 20 0 IFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764880 721112615 /nfs/dbraw/zinc/11/26/15/721112615.db2.gz ILCFCHSDVLTASQ-HUUCEWRRSA-N 1 0 439.894 2.758 20 0 IFADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762772 721148298 /nfs/dbraw/zinc/14/82/98/721148298.db2.gz DOUFTELZKDTXOQ-KBPBESRZSA-N 1 0 439.347 2.652 20 0 IFADRO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164764783 721148622 /nfs/dbraw/zinc/14/86/22/721148622.db2.gz HXBWSMMNOVJZJU-PKOBYXMFSA-N 1 0 430.984 2.909 20 0 IFADRO COC(=O)c1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2ccccc2c1OC ZINC001164875401 721167999 /nfs/dbraw/zinc/16/79/99/721167999.db2.gz LHZSCPHIRPXKGG-RBUKOAKNSA-N 1 0 448.523 2.905 20 0 IFADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164771140 721172277 /nfs/dbraw/zinc/17/22/77/721172277.db2.gz PJULVCJVZRGEKL-SFTDATJTSA-N 1 0 447.587 2.707 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)C[C@@H]3C2)cn1 ZINC001164767804 721182299 /nfs/dbraw/zinc/18/22/99/721182299.db2.gz KPSWLRSICKZFDP-CABCVRRESA-N 1 0 433.894 2.915 20 0 IFADRO NC(=S)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2sccc21 ZINC001164868280 721193672 /nfs/dbraw/zinc/19/36/72/721193672.db2.gz LOUZYHCQANPBHD-HOTGVXAUSA-N 1 0 425.583 2.805 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@@](F)(COc4cncc(Cl)n4)C(F)F)C[C@@H]3C2)cn1 ZINC001164770126 721213524 /nfs/dbraw/zinc/21/35/24/721213524.db2.gz NKNROIFLKRRMMJ-VCBZYWHSSA-N 1 0 444.889 2.627 20 0 IFADRO COC(=O)c1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c2ccccc2c1OC ZINC001164773368 721222808 /nfs/dbraw/zinc/22/28/08/721222808.db2.gz WSMWXUIEUFYABT-ROUUACIJSA-N 1 0 435.528 2.722 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)CCC[C@H](CNC(=O)c3ccccc3)O4)n2)CC1 ZINC001164877416 721258067 /nfs/dbraw/zinc/25/80/67/721258067.db2.gz RJBCJZJVHHTFRR-GJZUVCINSA-N 1 0 449.599 2.781 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)CCC[C@H](CNC(=O)c3ccccc3)O4)n2)CC1 ZINC001164877408 721258169 /nfs/dbraw/zinc/25/81/69/721258169.db2.gz RJBCJZJVHHTFRR-ATIYNZHBSA-N 1 0 449.599 2.781 20 0 IFADRO Cc1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)s1 ZINC001164869881 721268266 /nfs/dbraw/zinc/26/82/66/721268266.db2.gz RUNDZQUHMNSNAR-UHFFFAOYSA-N 1 0 437.997 2.660 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(Cl)nnc3-c3ccccc3)CC2)C1 ZINC001164870467 721273892 /nfs/dbraw/zinc/27/38/92/721273892.db2.gz ZHSPINRQTDRFAE-UHFFFAOYSA-N 1 0 443.979 2.804 20 0 IFADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001164766322 721281473 /nfs/dbraw/zinc/28/14/73/721281473.db2.gz CYVQKSJNPGGRPA-UHFFFAOYSA-N 1 0 437.569 2.899 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(-c4cccc(Cl)c4)nn3)CC2)C1 ZINC001164872430 721284763 /nfs/dbraw/zinc/28/47/63/721284763.db2.gz COFPMSOMHLVXSE-UHFFFAOYSA-N 1 0 443.979 2.804 20 0 IFADRO Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164874806 721291288 /nfs/dbraw/zinc/29/12/88/721291288.db2.gz COHYQZONJSCDHV-UHFFFAOYSA-N 1 0 436.000 2.713 20 0 IFADRO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2C1 ZINC001164883796 721350418 /nfs/dbraw/zinc/35/04/18/721350418.db2.gz MCCVWUIVKWOADH-FGZHOGPDSA-N 1 0 436.556 2.534 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC4CC4)cn3)C2)C1 ZINC001164776856 721353640 /nfs/dbraw/zinc/35/36/40/721353640.db2.gz DNQDDFLBCVLVHL-DEOSSOPVSA-N 1 0 439.560 2.698 20 0 IFADRO Cc1cn(-c2ccc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)cn1 ZINC001164785130 721359096 /nfs/dbraw/zinc/35/90/96/721359096.db2.gz SBWLJNALYJUIFK-QHCPKHFHSA-N 1 0 437.548 2.695 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cncc(OCc5ccccc5)n4)C3)O2)CC1 ZINC001164884375 721393851 /nfs/dbraw/zinc/39/38/51/721393851.db2.gz AMTCVCODNXZGBS-WIOPSUGQSA-N 1 0 437.588 2.821 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4COC5(C)C)C3)O2)CC1 ZINC001164892926 721398570 /nfs/dbraw/zinc/39/85/70/721398570.db2.gz URVOLAQIMFZUKO-OPAMFIHVSA-N 1 0 436.000 2.661 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(OCc5ccccc5)n4)C3)O2)CC1 ZINC001164891104 721410611 /nfs/dbraw/zinc/41/06/11/721410611.db2.gz VFXHNXNPJCWLEU-RCZVLFRGSA-N 1 0 437.588 2.821 20 0 IFADRO COc1cccc(-c2ccnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)n2)c1 ZINC001164891965 721424293 /nfs/dbraw/zinc/42/42/93/721424293.db2.gz XGVBKJNWVPCKPV-RCZVLFRGSA-N 1 0 437.588 2.918 20 0 IFADRO CCCN(CCC)c1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164884498 721424587 /nfs/dbraw/zinc/42/45/87/721424587.db2.gz DLGWNXGWFGRRMG-URXFXBBRSA-N 1 0 430.641 2.868 20 0 IFADRO CSc1nc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2s1 ZINC001164892415 721424678 /nfs/dbraw/zinc/42/46/78/721424678.db2.gz YAPHOUJDQRYHOV-YWZLYKJASA-N 1 0 434.635 2.574 20 0 IFADRO CCCN(CCC)c1cncc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892981 721424893 /nfs/dbraw/zinc/42/48/93/721424893.db2.gz INFLOHMPUDYEQL-URXFXBBRSA-N 1 0 430.641 2.868 20 0 IFADRO CCc1cc2c(nc(Cl)nc2N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)[nH]1 ZINC001164895855 721429175 /nfs/dbraw/zinc/42/91/75/721429175.db2.gz QHUWAYPOBOWMQB-VGSWGCGISA-N 1 0 433.000 2.939 20 0 IFADRO COC(=O)c1ccc2cc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)ncc2c1 ZINC001164898716 721431094 /nfs/dbraw/zinc/43/10/94/721431094.db2.gz WRKYPURPLLQMHL-RDGATRHJSA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5cccnc5)nc5c4CCC5)C3)O2)CC1 ZINC001164894949 721442595 /nfs/dbraw/zinc/44/25/95/721442595.db2.gz NSSIZGQFGCXJKJ-LVXARBLLSA-N 1 0 448.615 2.793 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)OC)cc(C)n1)CC2 ZINC001164789440 721450747 /nfs/dbraw/zinc/45/07/47/721450747.db2.gz WEYZXMAVEYECCJ-NRFANRHFSA-N 1 0 431.577 2.911 20 0 IFADRO CCCSc1ncnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1OC ZINC001164892728 721450938 /nfs/dbraw/zinc/45/09/38/721450938.db2.gz XMDABGZHCKVMMC-XMSQKQJNSA-N 1 0 435.638 2.753 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(N)=O)c(Cl)cn1)CC2 ZINC001164790414 721451894 /nfs/dbraw/zinc/45/18/94/721451894.db2.gz YVZKGYDWRASMPW-KRWDZBQOSA-N 1 0 436.984 2.568 20 0 IFADRO COc1cc(C)c2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164892048 721453737 /nfs/dbraw/zinc/45/37/37/721453737.db2.gz WBRZVUBIPZOUAE-CYFREDJKSA-N 1 0 425.577 2.712 20 0 IFADRO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1 ZINC001164891352 721455411 /nfs/dbraw/zinc/45/54/11/721455411.db2.gz UMHNVLHPGQQGDU-HJOGWXRNSA-N 1 0 432.568 2.902 20 0 IFADRO CCOC(=O)c1cnc(C)nc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164785984 721455692 /nfs/dbraw/zinc/45/56/92/721455692.db2.gz KYTLIEFZHJRBDA-HXUWFJFHSA-N 1 0 446.592 2.696 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164782745 721461053 /nfs/dbraw/zinc/46/10/53/721461053.db2.gz BJDFLGWMKCWIPE-GOSISDBHSA-N 1 0 438.016 2.930 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)cc(C(=O)OC)n1)CC2 ZINC001164790083 721462604 /nfs/dbraw/zinc/46/26/04/721462604.db2.gz ZOXBSMHYFFHFFN-HXUWFJFHSA-N 1 0 431.577 2.911 20 0 IFADRO Clc1ccc(CN2CCCC2)c(N(C[C@@H]2OC[C@H]3CC[NH2+]C[C@H]23)c2ncccn2)n1 ZINC001164793848 721484208 /nfs/dbraw/zinc/48/42/08/721484208.db2.gz YQUVWJWXCVJRRD-QYZOEREBSA-N 1 0 428.968 2.883 20 0 IFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164791315 721493518 /nfs/dbraw/zinc/49/35/18/721493518.db2.gz AGVGMONDJMMLEK-UHFFFAOYSA-N 1 0 449.603 2.557 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc4ncc(Cl)nc4c2)CC3)CC1 ZINC001164794120 721510868 /nfs/dbraw/zinc/51/08/68/721510868.db2.gz GMJGVDUQAKKYDW-UHFFFAOYSA-N 1 0 447.921 2.792 20 0 IFADRO COc1ccc(Oc2cc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc(C)n2)cc1 ZINC001164794520 721521343 /nfs/dbraw/zinc/52/13/43/721521343.db2.gz FIXMOVXYRYCBML-UHFFFAOYSA-N 1 0 449.559 2.550 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccnc(CSc4ccccc4)n2)CC3)CC1 ZINC001164796107 721521764 /nfs/dbraw/zinc/52/17/64/721521764.db2.gz VNJSHXUUEWDDFE-UHFFFAOYSA-N 1 0 435.601 2.733 20 0 IFADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)cc-2n1 ZINC001164912384 721531863 /nfs/dbraw/zinc/53/18/63/721531863.db2.gz ZMLAPZJYDHXVIO-DOTOQJQBSA-N 1 0 440.475 2.839 20 0 IFADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902614 721535603 /nfs/dbraw/zinc/53/56/03/721535603.db2.gz AMXRLGWASYSIMA-RDJZCZTQSA-N 1 0 434.899 2.717 20 0 IFADRO CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164809048 721542716 /nfs/dbraw/zinc/54/27/16/721542716.db2.gz UMCWCLYCYVTCIK-VWPQPMDRSA-N 1 0 442.995 2.860 20 0 IFADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)C1=O ZINC001164903363 721550058 /nfs/dbraw/zinc/55/00/58/721550058.db2.gz CFIZDYQRXXZUCY-DOTOQJQBSA-N 1 0 445.926 2.975 20 0 IFADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)C1=O ZINC001164903366 721550286 /nfs/dbraw/zinc/55/02/86/721550286.db2.gz CFIZDYQRXXZUCY-WBVHZDCISA-N 1 0 445.926 2.975 20 0 IFADRO COc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001164905903 721552529 /nfs/dbraw/zinc/55/25/29/721552529.db2.gz HZJILNGUQBLOLN-AZUAARDMSA-N 1 0 442.539 2.742 20 0 IFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)cc(O[C@@H]5CCOC5)n4)CC[N@@H+]3C2)c1 ZINC001164907522 721565920 /nfs/dbraw/zinc/56/59/20/721565920.db2.gz NZBCIZXCDFBZJH-KBAYOESNSA-N 1 0 434.899 2.779 20 0 IFADRO CCCNC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909255 721567929 /nfs/dbraw/zinc/56/79/29/721567929.db2.gz UBVWPOUNGXALSD-NVXWUHKLSA-N 1 0 433.915 2.751 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@@H]32)nc1 ZINC001164798617 721596746 /nfs/dbraw/zinc/59/67/46/721596746.db2.gz KOTYMIFMUWICCM-MLNNCEHLSA-N 1 0 428.577 2.614 20 0 IFADRO Cc1cccc(CN2CCO[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3C2=O)n1 ZINC001164799942 721603018 /nfs/dbraw/zinc/60/30/18/721603018.db2.gz LBCUDHCWEKBUNU-PKTZIBPZSA-N 1 0 435.572 2.635 20 0 IFADRO Cc1cccc(CN2CCO[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]3C2=O)n1 ZINC001164799943 721603081 /nfs/dbraw/zinc/60/30/81/721603081.db2.gz LBCUDHCWEKBUNU-XZOQPEGZSA-N 1 0 435.572 2.635 20 0 IFADRO Cc1cccc(CN2CCO[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@@H]3C2=O)n1 ZINC001164804148 721603268 /nfs/dbraw/zinc/60/32/68/721603268.db2.gz XNMMUJIBQPTLJT-GOTSBHOMSA-N 1 0 435.572 2.635 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncccc2C(=O)NCc2ccccc2)CC1 ZINC001165008493 721732349 /nfs/dbraw/zinc/73/23/49/721732349.db2.gz PFMQXTPSZPCPIB-UHFFFAOYSA-N 1 0 435.572 2.535 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCCc4ccncc4)[C@@H]3C2)nc1)C1CC1 ZINC001165014293 721753817 /nfs/dbraw/zinc/75/38/17/721753817.db2.gz XUDNWOYNUPZTRQ-HJOGWXRNSA-N 1 0 449.599 2.661 20 0 IFADRO O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]12 ZINC001165013506 721753875 /nfs/dbraw/zinc/75/38/75/721753875.db2.gz MZQKYKFYPHKYJV-SGNDLWITSA-N 1 0 449.599 2.663 20 0 IFADRO COC(=O)Cc1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024551 721808222 /nfs/dbraw/zinc/80/82/22/721808222.db2.gz MCKVOOOHNINGNY-KFKAGJAMSA-N 1 0 429.952 2.977 20 0 IFADRO COC(=O)c1cc2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc2n1C ZINC001165029068 721822021 /nfs/dbraw/zinc/82/20/21/721822021.db2.gz WWBODHOSPCCLMP-PWIZWCRZSA-N 1 0 434.544 2.887 20 0 IFADRO Cc1nc(CN2CCOC[C@]3(CN(c4ccc(C[N@@H+](C)C5CC5)cn4)CCO3)C2)cs1 ZINC001164921859 721832696 /nfs/dbraw/zinc/83/26/96/721832696.db2.gz MMRSEHXMMWUCFX-HSZRJFAPSA-N 1 0 443.617 2.549 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(CCOC)CCO[C@@H]3C2)nc1 ZINC001164923270 721844799 /nfs/dbraw/zinc/84/47/99/721844799.db2.gz UQVKUSNMBHSNDZ-YPAWHYETSA-N 1 0 430.593 2.719 20 0 IFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2NC(=O)CS3)CC1 ZINC001165030299 721845070 /nfs/dbraw/zinc/84/50/70/721845070.db2.gz HIAFBFKQGDFALI-UHFFFAOYSA-N 1 0 429.546 2.639 20 0 IFADRO Fc1cnc(N2CCOC[C@]3(CCCN(c4ncccc4C[NH+]4CCCC4)C3)C2)nc1 ZINC001164923738 721846576 /nfs/dbraw/zinc/84/65/76/721846576.db2.gz VNJNTVHJCQYIST-QHCPKHFHSA-N 1 0 426.540 2.730 20 0 IFADRO CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C3CCCC3)CC2)c1CN1CC[C@@H](CO)C1 ZINC001165031542 721858599 /nfs/dbraw/zinc/85/85/99/721858599.db2.gz BENOUVMUJLCJPK-LJQANCHMSA-N 1 0 443.636 2.945 20 0 IFADRO c1ccc(N2CCN(c3ccc(N4CC[NH+](CCc5ccccn5)CC4)nn3)CC2)cc1 ZINC001165054783 722017530 /nfs/dbraw/zinc/01/75/30/722017530.db2.gz CBFZZCSZANUSEC-UHFFFAOYSA-N 1 0 429.572 2.563 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)nc1 ZINC001164962476 722038135 /nfs/dbraw/zinc/03/81/35/722038135.db2.gz NQQRCSMURVIJOJ-ADYITMSISA-N 1 0 437.588 2.991 20 0 IFADRO COC(=O)c1c[nH]c2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ccc12 ZINC001164963081 722054430 /nfs/dbraw/zinc/05/44/30/722054430.db2.gz HAZCNOCDEDEZDE-UHFFFAOYSA-N 1 0 435.528 2.864 20 0 IFADRO CNC(=O)c1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ccc1Cl ZINC001164963870 722057177 /nfs/dbraw/zinc/05/71/77/722057177.db2.gz PARCPFIQBNODNM-UHFFFAOYSA-N 1 0 429.952 2.609 20 0 IFADRO NC(=O)c1cc2ccccc2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164962195 722060357 /nfs/dbraw/zinc/06/03/57/722060357.db2.gz POGRFZVVPMWILS-UHFFFAOYSA-N 1 0 431.540 2.848 20 0 IFADRO O=C(NCc1ccccc1)c1cc(Cl)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164965807 722068898 /nfs/dbraw/zinc/06/88/98/722068898.db2.gz OCLZKHXITLTDFD-BGYRXZFFSA-N 1 0 426.948 2.964 20 0 IFADRO Clc1nc2c(c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n1)CN(Cc1ccccc1)CC2 ZINC001164964753 722068934 /nfs/dbraw/zinc/06/89/34/722068934.db2.gz BTVBGMLBPKUKCC-BGYRXZFFSA-N 1 0 439.991 2.988 20 0 IFADRO CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CCO2 ZINC001164969559 722084346 /nfs/dbraw/zinc/08/43/46/722084346.db2.gz PYEHPURHFVYPKE-HXUWFJFHSA-N 1 0 440.922 2.874 20 0 IFADRO COC(=O)c1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164983434 722104864 /nfs/dbraw/zinc/10/48/64/722104864.db2.gz QDPCPOQLZFEKCN-KNQAVFIVSA-N 1 0 433.512 2.539 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc21 ZINC001164970961 722108675 /nfs/dbraw/zinc/10/86/75/722108675.db2.gz AYWVTFMZEQUVOK-PGRDOPGGSA-N 1 0 433.512 2.539 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc21 ZINC001164970963 722108758 /nfs/dbraw/zinc/10/87/58/722108758.db2.gz AYWVTFMZEQUVOK-XMSQKQJNSA-N 1 0 433.512 2.539 20 0 IFADRO CC(C)(C)OC(=O)Nc1nccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982719 722109699 /nfs/dbraw/zinc/10/96/99/722109699.db2.gz XTZOUBHKEIEWCN-OALUTQOASA-N 1 0 440.548 2.946 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2[nH]1 ZINC001164976384 722111081 /nfs/dbraw/zinc/11/10/81/722111081.db2.gz LMJLLJNMSUPMNE-TZIWHRDSSA-N 1 0 435.528 2.862 20 0 IFADRO COc1cc2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1OC ZINC001164980507 722114078 /nfs/dbraw/zinc/11/40/78/722114078.db2.gz RMMDKQCILFSYTG-WZONZLPQSA-N 1 0 435.528 2.769 20 0 IFADRO CSc1nc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164984175 722131413 /nfs/dbraw/zinc/13/14/13/722131413.db2.gz WAJGAVXLTCUJIZ-CVEARBPZSA-N 1 0 428.587 2.931 20 0 IFADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978015 722136452 /nfs/dbraw/zinc/13/64/52/722136452.db2.gz JDEZYCHYBRFUTQ-WBVHZDCISA-N 1 0 439.894 2.806 20 0 IFADRO c1nc2c(ncnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1-c1ccccc1 ZINC001164979690 722151481 /nfs/dbraw/zinc/15/14/81/722151481.db2.gz LTCJWWPSUVDZQV-IRLDBZIGSA-N 1 0 441.539 2.938 20 0 IFADRO COc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164971734 722156887 /nfs/dbraw/zinc/15/68/87/722156887.db2.gz FBAANJUNFDCDIL-HOTGVXAUSA-N 1 0 439.894 2.806 20 0 IFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976155 722156912 /nfs/dbraw/zinc/15/69/12/722156912.db2.gz UIURIVQCQAQPDX-BPQIPLTHSA-N 1 0 445.951 2.529 20 0 IFADRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]12 ZINC001164990328 722187337 /nfs/dbraw/zinc/18/73/37/722187337.db2.gz LPBXSYUZQABFLT-VWNXMTODSA-N 1 0 440.613 2.859 20 0 IFADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)nc(N4CCOCC4)n2)C3)c1 ZINC001164993273 722195824 /nfs/dbraw/zinc/19/58/24/722195824.db2.gz DYTJTDKKJVQDNA-NRFANRHFSA-N 1 0 432.931 2.746 20 0 IFADRO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164997870 722218395 /nfs/dbraw/zinc/21/83/95/722218395.db2.gz SQIYPRNDQSSXEQ-DEOSSOPVSA-N 1 0 434.544 2.504 20 0 IFADRO O=C(Nc1cccnc1)c1noc2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001165000281 722248356 /nfs/dbraw/zinc/24/83/56/722248356.db2.gz GLHHZPMZZPGALD-UHFFFAOYSA-N 1 0 434.500 2.754 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CCC2 ZINC001165001826 722254469 /nfs/dbraw/zinc/25/44/69/722254469.db2.gz GNZMHXUSQOXJOY-UHFFFAOYSA-N 1 0 448.999 2.948 20 0 IFADRO CCOC(=O)c1cc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2s1 ZINC001165002294 722255218 /nfs/dbraw/zinc/25/52/18/722255218.db2.gz NCXNGGQSJLTEBV-UHFFFAOYSA-N 1 0 444.561 2.553 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@@H]5[NH2+]CCO[C@@H]5C4)c23)C1 ZINC001164389709 718824696 /nfs/dbraw/zinc/82/46/96/718824696.db2.gz JKNBRPBAASLVDY-BPQIPLTHSA-N 1 0 427.618 2.979 20 0 IFADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc1 ZINC001164408808 718852599 /nfs/dbraw/zinc/85/25/99/718852599.db2.gz TWOLJCLSCYQORM-QRWLVFNGSA-N 1 0 437.874 2.752 20 0 IFADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)cc1 ZINC001164408807 718852854 /nfs/dbraw/zinc/85/28/54/718852854.db2.gz TWOLJCLSCYQORM-MGPUTAFESA-N 1 0 437.874 2.752 20 0 IFADRO F[C@@]1(N2CCOCC23C[NH2+]C3)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164400901 718860413 /nfs/dbraw/zinc/86/04/13/718860413.db2.gz ASMKMOCUUHYLEE-HXUWFJFHSA-N 1 0 438.334 2.596 20 0 IFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)n1 ZINC001164423844 718916547 /nfs/dbraw/zinc/91/65/47/718916547.db2.gz KCIYHCRSGQTJCO-QFIPXVFZSA-N 1 0 433.622 2.735 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164432372 718968181 /nfs/dbraw/zinc/96/81/81/718968181.db2.gz GVKITJDYYIAPOV-QWHCGFSZSA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164434794 718968357 /nfs/dbraw/zinc/96/83/57/718968357.db2.gz VQRPGMQRVDOOTB-KBPBESRZSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164434796 718968368 /nfs/dbraw/zinc/96/83/68/718968368.db2.gz VQRPGMQRVDOOTB-UONOGXRCSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164432373 718968378 /nfs/dbraw/zinc/96/83/78/718968378.db2.gz GVKITJDYYIAPOV-STQMWFEESA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164434851 718968889 /nfs/dbraw/zinc/96/88/89/718968889.db2.gz WGWUFNHRITYVNS-KBPBESRZSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(C)nc(Cl)n1)C2 ZINC001164433086 718969120 /nfs/dbraw/zinc/96/91/20/718969120.db2.gz JNTAKEZRRVJJNM-UONOGXRCSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164619744 719011851 /nfs/dbraw/zinc/01/18/51/719011851.db2.gz WYCKGBQFMKCEFB-KXBFYZLASA-N 1 0 429.895 2.668 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164618897 719011860 /nfs/dbraw/zinc/01/18/60/719011860.db2.gz URAIEHBUNXLHLN-ACJLOTCBSA-N 1 0 430.883 2.704 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(OC)nc(Cl)n1)C2 ZINC001164614709 719011987 /nfs/dbraw/zinc/01/19/87/719011987.db2.gz GEZPCIOAFMNSRJ-BFUOFWGJSA-N 1 0 444.910 2.833 20 0 IFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC001164616104 719017638 /nfs/dbraw/zinc/01/76/38/719017638.db2.gz KJTCNWNGWNWZJJ-YESZJQIVSA-N 1 0 429.590 2.634 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)nc3OC)CC2)CC1 ZINC001164617979 719030610 /nfs/dbraw/zinc/03/06/10/719030610.db2.gz SYBZSQGSADOUTR-UHFFFAOYSA-N 1 0 432.899 2.927 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(O[C@@H]4CCOC4)n3)CC2)CC1 ZINC001164617641 719035111 /nfs/dbraw/zinc/03/51/11/719035111.db2.gz OMTNBLHODKIELL-QGZVFWFLSA-N 1 0 438.956 2.542 20 0 IFADRO [NH3+]C1([C@@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCCC5)C[C@H]2CF)CC1 ZINC001164623185 719121757 /nfs/dbraw/zinc/12/17/57/719121757.db2.gz ROAITTKOIZXDGD-NVXWUHKLSA-N 1 0 445.608 2.916 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@H]5OCC[N@H+](C)[C@@H]5C4)c23)C1 ZINC001164669439 719442643 /nfs/dbraw/zinc/44/26/43/719442643.db2.gz MBZWQXVATJJQEQ-KBAYOESNSA-N 1 0 427.618 2.931 20 0 IFADRO COc1cc2nc(Cl)c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc2cc1OC ZINC001164683618 719623906 /nfs/dbraw/zinc/62/39/06/719623906.db2.gz UECBCMQUPAFXNK-UHFFFAOYSA-N 1 0 430.940 2.972 20 0 IFADRO COC(=O)c1cc(Cl)nc(C(F)(F)n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164681521 719627164 /nfs/dbraw/zinc/62/71/64/719627164.db2.gz HABKNLUUXFAHQA-UHFFFAOYSA-N 1 0 427.883 2.802 20 0 IFADRO CCOC(=O)c1nc(Cl)nc(Cl)c1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683505 719627421 /nfs/dbraw/zinc/62/74/21/719627421.db2.gz SPYCSCKILJWOHG-UHFFFAOYSA-N 1 0 427.336 2.632 20 0 IFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(F)c[n+]3[O-])CC2)c2ccccc21 ZINC001164682902 719662850 /nfs/dbraw/zinc/66/28/50/719662850.db2.gz TYWBIKVHQUOTIW-SFHVURJKSA-N 1 0 426.536 2.553 20 0 IFADRO CCOc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684085 719664741 /nfs/dbraw/zinc/66/47/41/719664741.db2.gz WEFXLINSALBWPT-LJQANCHMSA-N 1 0 437.588 2.969 20 0 IFADRO COc1nc(C)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686861 719669047 /nfs/dbraw/zinc/66/90/47/719669047.db2.gz YNBZXUUIPMMCLM-LJQANCHMSA-N 1 0 437.588 2.887 20 0 IFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ccnn3C[C@H](C(=O)NCCOC)C2)nc1 ZINC001164698166 719829431 /nfs/dbraw/zinc/82/94/31/719829431.db2.gz SGTHVWMEDGRVFF-IRLDBZIGSA-N 1 0 440.592 2.614 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)nc1 ZINC001164703108 719923223 /nfs/dbraw/zinc/92/32/23/719923223.db2.gz IPYBADGGOYPEBV-YUMYIRISSA-N 1 0 428.577 2.881 20 0 IFADRO Cc1noc([C@@]23COC[C@@H]2CN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)C3)n1 ZINC001164808567 720064001 /nfs/dbraw/zinc/06/40/01/720064001.db2.gz IELYWIBKNCFQBY-KXBFYZLASA-N 1 0 437.878 2.752 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)C2 ZINC001164813664 720084721 /nfs/dbraw/zinc/08/47/21/720084721.db2.gz UYUKEDMPUJHNJS-BEFAXECRSA-N 1 0 429.943 2.926 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3nc[nH]c31)CC2 ZINC001164712026 720095585 /nfs/dbraw/zinc/09/55/85/720095585.db2.gz UHPDWSNVRJNGEO-MRXNPFEDSA-N 1 0 427.940 2.909 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1C(N)=O)CC2 ZINC001164711073 720099996 /nfs/dbraw/zinc/09/99/96/720099996.db2.gz NUUXQLQXAUGDLZ-SFHVURJKSA-N 1 0 429.952 2.736 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)c(C(=O)OC)cn1)CC2 ZINC001164711028 720101426 /nfs/dbraw/zinc/10/14/26/720101426.db2.gz NHPAYVPPFWJBTP-IBGZPJMESA-N 1 0 440.544 2.779 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(OC)cc1C(=O)OC)CC2 ZINC001164716141 720109604 /nfs/dbraw/zinc/10/96/04/720109604.db2.gz JFIMLTBDQIIBPW-IBGZPJMESA-N 1 0 440.544 2.779 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164712624 720142428 /nfs/dbraw/zinc/14/24/28/720142428.db2.gz NWAZSNIWUSGWCT-QFIPXVFZSA-N 1 0 433.560 2.624 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(ccn3C)c(OC)n1)CC2 ZINC001164712671 720154288 /nfs/dbraw/zinc/15/42/88/720154288.db2.gz OGEUVQGXAIQMLY-LJQANCHMSA-N 1 0 436.560 2.879 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(C(C)C)C3=O)C2 ZINC001164818868 720154669 /nfs/dbraw/zinc/15/46/69/720154669.db2.gz VCQUAJJRERWOAI-AOMKIAJQSA-N 1 0 433.984 2.679 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1cc(C(=O)OC)n3C)C2 ZINC001164816775 720158729 /nfs/dbraw/zinc/15/87/29/720158729.db2.gz MQWFMSPDPQWFJO-NYHFZMIOSA-N 1 0 447.967 2.593 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C(=O)Nc1cc(C)on1)C2 ZINC001164820278 720162583 /nfs/dbraw/zinc/16/25/83/720162583.db2.gz ZXGLTDQAIWIABN-JPYJTQIMSA-N 1 0 425.533 2.815 20 0 IFADRO CN(C)C(=O)N1CC2(CC[NH+](C(C)(C)c3ccnc(Cl)c3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001164715158 720162974 /nfs/dbraw/zinc/16/29/74/720162974.db2.gz SVADLYLYIHPWQC-QHCPKHFHSA-N 1 0 448.011 2.898 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1ccc(Cl)nc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164711408 720163228 /nfs/dbraw/zinc/16/32/28/720163228.db2.gz BMZITOPMLJQQFP-INIZCTEOSA-N 1 0 426.899 2.625 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1ccnc(Cl)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712294 720165912 /nfs/dbraw/zinc/16/59/12/720165912.db2.gz FHMQGEGJRPXNMG-INIZCTEOSA-N 1 0 426.899 2.625 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1cccnc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164712452 720166658 /nfs/dbraw/zinc/16/66/58/720166658.db2.gz GVWFWGVNFPYKBC-INIZCTEOSA-N 1 0 426.899 2.625 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1ccc(F)c(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715722 720170940 /nfs/dbraw/zinc/17/09/40/720170940.db2.gz WFVZTCMKQKWCHX-OAHLLOKOSA-N 1 0 444.889 2.764 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)C2 ZINC001164818142 720171559 /nfs/dbraw/zinc/17/15/59/720171559.db2.gz RWDHVQPFRDFSCI-SCLBCKFNSA-N 1 0 426.899 2.688 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)C2 ZINC001164818140 720171891 /nfs/dbraw/zinc/17/18/91/720171891.db2.gz RWDHVQPFRDFSCI-FZKQIMNGSA-N 1 0 426.899 2.688 20 0 IFADRO Cn1nnc2c1CCN(c1ncnc3ccc(Cl)cc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715783 720172572 /nfs/dbraw/zinc/17/25/72/720172572.db2.gz WPRLZKZNEWQUIB-LJQANCHMSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1nccc3cc(Cl)ncc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718762 720175083 /nfs/dbraw/zinc/17/50/83/720175083.db2.gz QPRXPNJZGKYNJE-GOSISDBHSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1cc3nccc(Cl)c3cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719171 720180195 /nfs/dbraw/zinc/18/01/95/720180195.db2.gz TVKOHSNEQDLJIT-LJQANCHMSA-N 1 0 427.940 2.628 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164718811 720186930 /nfs/dbraw/zinc/18/69/30/720186930.db2.gz RURHVCUUQNLGQD-MRXNPFEDSA-N 1 0 440.926 2.933 20 0 IFADRO Cc1ccc(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)cc1 ZINC001164714722 720196044 /nfs/dbraw/zinc/19/60/44/720196044.db2.gz HQEQNXBJKLLTNX-JOCHJYFZSA-N 1 0 433.560 2.797 20 0 IFADRO Cc1nc(C2CC2)nc(Cl)c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164714017 720198648 /nfs/dbraw/zinc/19/86/48/720198648.db2.gz FRGVMPDIQFJWLM-QGZVFWFLSA-N 1 0 431.972 2.661 20 0 IFADRO Cn1nnc2c1CCN(c1ccc(-c3ccccc3F)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715680 720199423 /nfs/dbraw/zinc/19/94/23/720199423.db2.gz MJTBNRCNKUQYSI-OAQYLSRUSA-N 1 0 437.523 2.627 20 0 IFADRO Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(-c2cccs2)n1 ZINC001164717635 720199532 /nfs/dbraw/zinc/19/95/32/720199532.db2.gz VOMZQHGHPGHQKC-GOSISDBHSA-N 1 0 439.589 2.858 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cc1C(=O)OCC ZINC001164812931 720203413 /nfs/dbraw/zinc/20/34/13/720203413.db2.gz NIDPXARYKYBCLI-HOYKHHGWSA-N 1 0 445.560 2.620 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)Oc1ccnc(Cl)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719783 720203764 /nfs/dbraw/zinc/20/37/64/720203764.db2.gz UESAVTRLZXAIHW-INIZCTEOSA-N 1 0 442.898 2.504 20 0 IFADRO CCCN(CCC)c1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ncn1 ZINC001164813351 720230554 /nfs/dbraw/zinc/23/05/54/720230554.db2.gz NEZMRGADNRBIEO-UHFFFAOYSA-N 1 0 427.597 2.910 20 0 IFADRO COc1cccc(-c2ccnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)n2)c1 ZINC001164812943 720231079 /nfs/dbraw/zinc/23/10/79/720231079.db2.gz KSBYKFBCDCCVJB-UHFFFAOYSA-N 1 0 434.544 2.959 20 0 IFADRO CCc1cc2c(nc(Cl)nc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)[nH]1 ZINC001164812113 720232566 /nfs/dbraw/zinc/23/25/66/720232566.db2.gz BIOFMVPNNGXGMS-UHFFFAOYSA-N 1 0 429.956 2.981 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CSCC3)CC1 ZINC001164822669 720300554 /nfs/dbraw/zinc/30/05/54/720300554.db2.gz ODOLQSFIXZYNIA-MSOLQXFVSA-N 1 0 436.025 2.831 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(NC(=O)OC(C)(C)C)ncn2)CC1 ZINC001164819151 720301880 /nfs/dbraw/zinc/30/18/80/720301880.db2.gz CJRHRMZXRGKASV-MSOLQXFVSA-N 1 0 444.580 2.735 20 0 IFADRO COc1cc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC ZINC001164827822 720302764 /nfs/dbraw/zinc/30/27/64/720302764.db2.gz YGXLCDWOWDIUTG-PMACEKPBSA-N 1 0 439.560 2.559 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2[nH]1 ZINC001164825080 720312581 /nfs/dbraw/zinc/31/25/81/720312581.db2.gz SIKONFZHVPPRSI-UXHICEINSA-N 1 0 439.560 2.651 20 0 IFADRO COc1cc2ncc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2cc1OC ZINC001164821941 720314811 /nfs/dbraw/zinc/31/48/11/720314811.db2.gz LZIUQYFVGNRJNO-WOJBJXKFSA-N 1 0 439.560 2.559 20 0 IFADRO CSc1nc2c(c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n1)CCCC2 ZINC001164824596 720315460 /nfs/dbraw/zinc/31/54/60/720315460.db2.gz SAOHFHBHLLPGSO-PMACEKPBSA-N 1 0 429.634 2.989 20 0 IFADRO CSc1nc2c(c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n1)CCCC2 ZINC001164824599 720315884 /nfs/dbraw/zinc/31/58/84/720315884.db2.gz SAOHFHBHLLPGSO-WOJBJXKFSA-N 1 0 429.634 2.989 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)cc2N)CC1 ZINC001164830755 720321014 /nfs/dbraw/zinc/32/10/14/720321014.db2.gz PTNNGNPIOIPHFC-IAGOWNOFSA-N 1 0 427.927 2.774 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(OCc3ccccc3)cnn2)CC1 ZINC001164826256 720324353 /nfs/dbraw/zinc/32/43/53/720324353.db2.gz FZXYLBOCXCYMGR-PKTZIBPZSA-N 1 0 435.572 2.967 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH]c-2n1 ZINC001164824656 720328831 /nfs/dbraw/zinc/32/88/31/720328831.db2.gz CPEBBLIMCIDVRV-VQTJNVASSA-N 1 0 439.560 2.651 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C(=O)NC(C)(C)C)ccn2)CC1 ZINC001164826196 720330141 /nfs/dbraw/zinc/33/01/41/720330141.db2.gz FQGBBCSPWDISOV-PMACEKPBSA-N 1 0 427.593 2.521 20 0 IFADRO COC(=O)c1ccc2cc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc2c1 ZINC001164829446 720335381 /nfs/dbraw/zinc/33/53/81/720335381.db2.gz MAJXWOBQRYEIEY-YADHBBJMSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)COc2ccc(Cl)nn2)CC1 ZINC001164821401 720338329 /nfs/dbraw/zinc/33/83/29/720338329.db2.gz AGBNNFQXVRUAJX-HZPDHXFCSA-N 1 0 443.926 2.509 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)COc2cncc(Cl)n2)CC1 ZINC001164828364 720341795 /nfs/dbraw/zinc/34/17/95/720341795.db2.gz OLDIIGVJFKBLLO-HZPDHXFCSA-N 1 0 443.926 2.509 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ccc21 ZINC001164821750 720346873 /nfs/dbraw/zinc/34/68/73/720346873.db2.gz BRSKHTGGNYFLTA-FGZHOGPDSA-N 1 0 436.556 2.933 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3nc(C4CC4)no3)ccn2)CC1 ZINC001164831270 720349509 /nfs/dbraw/zinc/34/95/09/720349509.db2.gz YRWZNXPTJJYVLS-PMACEKPBSA-N 1 0 436.560 2.921 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164826724 720351668 /nfs/dbraw/zinc/35/16/68/720351668.db2.gz KXOBKBTVQKZKMX-MOPGFXCFSA-N 1 0 434.968 2.742 20 0 IFADRO CCCSc1ncnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1OC ZINC001164830281 720353892 /nfs/dbraw/zinc/35/38/92/720353892.db2.gz VRJDACDHTMHRIB-QZTJIDSGSA-N 1 0 433.622 2.899 20 0 IFADRO COc1cc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(Cl)n1 ZINC001164823598 720354766 /nfs/dbraw/zinc/35/47/66/720354766.db2.gz HEUKLYFMIPCLMI-HUUCEWRRSA-N 1 0 443.926 2.595 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(C(N)=S)c3ccsc32)CC1 ZINC001164831629 720355534 /nfs/dbraw/zinc/35/55/34/720355534.db2.gz ZGJGXGFOQHSXJC-QZTJIDSGSA-N 1 0 443.642 2.842 20 0 IFADRO CC(=O)Oc1cc2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OC(C)=O ZINC001164735065 720414758 /nfs/dbraw/zinc/41/47/58/720414758.db2.gz VMURWDDWAVMUSN-LEWJYISDSA-N 1 0 447.495 2.729 20 0 IFADRO O=S(=O)(c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1)N1CCCCC1 ZINC001164727154 720437616 /nfs/dbraw/zinc/43/76/16/720437616.db2.gz DDUARMXPIIMQMK-RTWAWAEBSA-N 1 0 427.574 2.504 20 0 IFADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)C1 ZINC001164727950 720443496 /nfs/dbraw/zinc/44/34/96/720443496.db2.gz FJXKNGOBCKBHKH-HKBOAZHASA-N 1 0 436.560 2.504 20 0 IFADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164730172 720447696 /nfs/dbraw/zinc/44/76/96/720447696.db2.gz IDLNSAUPYUKOEI-VQTJNVASSA-N 1 0 429.590 2.797 20 0 IFADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164733459 720448944 /nfs/dbraw/zinc/44/89/44/720448944.db2.gz PPLUSVYKTOEOIS-YYWHXJBOSA-N 1 0 429.590 2.797 20 0 IFADRO O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164724452 720501911 /nfs/dbraw/zinc/50/19/11/720501911.db2.gz GIFVPESCTUWLMF-GBXCKJPGSA-N 1 0 437.544 2.575 20 0 IFADRO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837803 720509289 /nfs/dbraw/zinc/50/92/89/720509289.db2.gz PELQVSGVGNPCPK-JFIYKMOQSA-N 1 0 432.956 2.881 20 0 IFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164728004 720513713 /nfs/dbraw/zinc/51/37/13/720513713.db2.gz HTUUYWMQLVPKHF-AWEZNQCLSA-N 1 0 428.924 2.854 20 0 IFADRO COC(=O)c1ccc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2c1 ZINC001164834687 720517341 /nfs/dbraw/zinc/51/73/41/720517341.db2.gz HCHZXCZVJMZCMU-RZUBCFFCSA-N 1 0 434.544 2.991 20 0 IFADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164835380 720534893 /nfs/dbraw/zinc/53/48/93/720534893.db2.gz GZLUJXPBGIHPOT-KZNAEPCWSA-N 1 0 446.983 2.810 20 0 IFADRO COC(=O)c1ccc2nc(Cl)c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2c1 ZINC001164734363 720552354 /nfs/dbraw/zinc/55/23/54/720552354.db2.gz ZXHYDDDHVGYXPG-UHFFFAOYSA-N 1 0 440.935 2.925 20 0 IFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164734095 720553869 /nfs/dbraw/zinc/55/38/69/720553869.db2.gz UHKLLFHXGPFULW-UHFFFAOYSA-N 1 0 425.915 2.596 20 0 IFADRO COC(=O)c1cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cnc1Cl ZINC001164734176 720557336 /nfs/dbraw/zinc/55/73/36/720557336.db2.gz XMIKQBGXBPMKAL-UHFFFAOYSA-N 1 0 439.894 2.922 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(OC)c1 ZINC001164837370 720563083 /nfs/dbraw/zinc/56/30/83/720563083.db2.gz MBGUXGUSMBWEBY-XUVXKRRUSA-N 1 0 427.549 2.841 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CN(C)CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838175 720639077 /nfs/dbraw/zinc/63/90/77/720639077.db2.gz KGLCRTYGYONITN-FUHIMQAGSA-N 1 0 430.000 2.692 20 0 IFADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164844274 720649438 /nfs/dbraw/zinc/64/94/38/720649438.db2.gz ZWCOCXIOJYMLCD-ZHALLVOQSA-N 1 0 445.999 2.844 20 0 IFADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164844272 720650584 /nfs/dbraw/zinc/65/05/84/720650584.db2.gz ZWCOCXIOJYMLCD-JENIJYKNSA-N 1 0 445.999 2.844 20 0 IFADRO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737573 720709190 /nfs/dbraw/zinc/70/91/90/720709190.db2.gz GGDIYUSUKDZOPF-WOJBJXKFSA-N 1 0 445.502 2.751 20 0 IFADRO CCNS(=O)(=O)c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164836475 720711659 /nfs/dbraw/zinc/71/16/59/720711659.db2.gz BETBZQYFBQLDBJ-FQEVSTJZSA-N 1 0 444.601 2.640 20 0 IFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164839334 720716397 /nfs/dbraw/zinc/71/63/97/720716397.db2.gz LAJXHCSCELLICO-OAQYLSRUSA-N 1 0 431.540 2.887 20 0 IFADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744385 720721336 /nfs/dbraw/zinc/72/13/36/720721336.db2.gz ZPJCWPKZAHEXSM-GJZGRUSLSA-N 1 0 431.924 2.822 20 0 IFADRO O=C(c1ccccc1)n1ccc2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164743969 720747087 /nfs/dbraw/zinc/74/70/87/720747087.db2.gz QSGQNRUTAQKBLD-NHCUHLMSSA-N 1 0 440.507 2.857 20 0 IFADRO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737188 720758590 /nfs/dbraw/zinc/75/85/90/720758590.db2.gz AMFAJLCJNBYGAY-RBUKOAKNSA-N 1 0 425.496 2.824 20 0 IFADRO Cc1ccc(-c2nc3c(ncnc3N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)o2)cc1 ZINC001164746998 720768628 /nfs/dbraw/zinc/76/86/28/720768628.db2.gz ZQMPSCYAZCJMGK-QZTJIDSGSA-N 1 0 429.484 2.725 20 0 IFADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747516 720808628 /nfs/dbraw/zinc/80/86/28/720808628.db2.gz OKFZAJCLMMPWQM-GUDVDZBRSA-N 1 0 444.967 2.883 20 0 IFADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747918 720812540 /nfs/dbraw/zinc/81/25/40/720812540.db2.gz PSGXUYGCKVMKJR-IFINOFHRSA-N 1 0 436.560 2.629 20 0 IFADRO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CCCC2 ZINC001164739839 720817820 /nfs/dbraw/zinc/81/78/20/720817820.db2.gz IZSRWAAQJFGQCL-FUHIMQAGSA-N 1 0 427.984 2.980 20 0 IFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164739784 720821251 /nfs/dbraw/zinc/82/12/51/720821251.db2.gz IOVQYXRCWLOKLJ-BRWVUGGUSA-N 1 0 426.956 2.891 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164740650 720823786 /nfs/dbraw/zinc/82/37/86/720823786.db2.gz KIFHALAZZMJFFI-FUPPJEDESA-N 1 0 446.555 2.992 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c1 ZINC001164744459 720824489 /nfs/dbraw/zinc/82/44/89/720824489.db2.gz ULEIBXRXZGHBMN-MQSCRBSSSA-N 1 0 446.555 2.992 20 0 IFADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164747017 720829060 /nfs/dbraw/zinc/82/90/60/720829060.db2.gz ZTONCUZZGMLCLO-QHAWAJNXSA-N 1 0 437.592 2.581 20 0 IFADRO Clc1nc2ncsc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737678 720830175 /nfs/dbraw/zinc/83/01/75/720830175.db2.gz BVTVHDCZNFOQJX-QLFBSQMISA-N 1 0 430.969 2.711 20 0 IFADRO Nc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164750303 720834299 /nfs/dbraw/zinc/83/42/99/720834299.db2.gz XFPZGPXVCBZVIJ-BHYGNILZSA-N 1 0 437.926 2.833 20 0 IFADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc(C)c2c1 ZINC001164744562 720834938 /nfs/dbraw/zinc/83/49/38/720834938.db2.gz KQCLXGOMDALQFB-SFYKDHMMSA-N 1 0 433.560 2.918 20 0 IFADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164747347 720840385 /nfs/dbraw/zinc/84/03/85/720840385.db2.gz QFBRUTROOZGXAK-QHAWAJNXSA-N 1 0 437.592 2.581 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)CC[C@H]2C1 ZINC001164855513 720844108 /nfs/dbraw/zinc/84/41/08/720844108.db2.gz UDUCUGONCBCNLZ-WDEREUQCSA-N 1 0 447.754 2.554 20 0 IFADRO Nc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164745895 720844323 /nfs/dbraw/zinc/84/43/23/720844323.db2.gz OCIWEVJQFJHVJD-YXJHDRRASA-N 1 0 437.926 2.833 20 0 IFADRO C=Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1OC ZINC001164747881 720844342 /nfs/dbraw/zinc/84/43/42/720844342.db2.gz RXRCLKXOAIRRCR-SOLBZPMBSA-N 1 0 429.956 2.753 20 0 IFADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164857901 720849657 /nfs/dbraw/zinc/84/96/57/720849657.db2.gz YXDIWGQMDGWBPP-WMZOPIPTSA-N 1 0 446.573 2.555 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc21 ZINC001164744655 720853563 /nfs/dbraw/zinc/85/35/63/720853563.db2.gz CCHKCWOSJBIGLG-SELNLUPBSA-N 1 0 446.555 2.992 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc21 ZINC001164744656 720853687 /nfs/dbraw/zinc/85/36/87/720853687.db2.gz CCHKCWOSJBIGLG-SFYKDHMMSA-N 1 0 446.555 2.992 20 0 IFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748252 720855297 /nfs/dbraw/zinc/85/52/97/720855297.db2.gz LGYGYEWPYXNHET-QHAWAJNXSA-N 1 0 446.559 2.980 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)CC[C@H]2C1 ZINC001164860221 720857312 /nfs/dbraw/zinc/85/73/12/720857312.db2.gz VZRYHZLDSSMFPZ-ICSRJNTNSA-N 1 0 432.952 2.883 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]2C1 ZINC001164859504 720859618 /nfs/dbraw/zinc/85/96/18/720859618.db2.gz UDSHZKNEKKTECN-DENIHFKCSA-N 1 0 439.535 2.792 20 0 IFADRO COc1cc(C)c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164752746 720861928 /nfs/dbraw/zinc/86/19/28/720861928.db2.gz UNKNRVMKOJTAOJ-WOIUINJBSA-N 1 0 433.560 2.918 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001164856024 720862898 /nfs/dbraw/zinc/86/28/98/720862898.db2.gz NPWAUZZYWSOXTE-QAPCUYQASA-N 1 0 425.957 2.864 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)CC[C@H]2C1 ZINC001164856025 720863054 /nfs/dbraw/zinc/86/30/54/720863054.db2.gz NPWAUZZYWSOXTE-YJBOKZPZSA-N 1 0 425.957 2.864 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)CC[C@H]2C1 ZINC001164856914 720863445 /nfs/dbraw/zinc/86/34/45/720863445.db2.gz PXTBZGWPWVJPAU-YOEHRIQHSA-N 1 0 437.903 2.630 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)CC[C@@H]2C1 ZINC001164854508 720870951 /nfs/dbraw/zinc/87/09/51/720870951.db2.gz KHZPCBXVZZPTHO-YADHBBJMSA-N 1 0 434.540 2.898 20 0 IFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)c2c1 ZINC001164859355 720872064 /nfs/dbraw/zinc/87/20/64/720872064.db2.gz MUYUNHGZNOQXOQ-APWZRJJASA-N 1 0 448.951 2.633 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccccc4nc3N3CCCCC3)CC[C@@H]2C1 ZINC001164859206 720872727 /nfs/dbraw/zinc/87/27/27/720872727.db2.gz MAYRQDLAGFBXKY-DENIHFKCSA-N 1 0 425.577 2.794 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4nc3N3CCCCC3)CC[C@H]2C1 ZINC001164859214 720873053 /nfs/dbraw/zinc/87/30/53/720873053.db2.gz MAYRQDLAGFBXKY-UGKGYDQZSA-N 1 0 425.577 2.794 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)CC[C@H]2C1 ZINC001164853889 720877776 /nfs/dbraw/zinc/87/77/76/720877776.db2.gz DMMCGBLILBUCAQ-ZWKOTPCHSA-N 1 0 425.558 2.927 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)CC[C@@H]2C1 ZINC001164853886 720877883 /nfs/dbraw/zinc/87/78/83/720877883.db2.gz DMMCGBLILBUCAQ-MSOLQXFVSA-N 1 0 425.558 2.927 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C(=O)NC4CCCC4)cc3Cl)CC[C@H]2C1 ZINC001164855818 720878393 /nfs/dbraw/zinc/87/83/93/720878393.db2.gz HZCXMLQGXZYRRF-OXJNMPFZSA-N 1 0 436.984 2.581 20 0 IFADRO Cn1cnc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164754360 720878621 /nfs/dbraw/zinc/87/86/21/720878621.db2.gz RLRBIFUJIPPHJH-YKSBVNFPSA-N 1 0 433.560 2.513 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC[C@H]2C1 ZINC001164864548 720878788 /nfs/dbraw/zinc/87/87/88/720878788.db2.gz WARYEZJOHRVTLJ-PXNSSMCTSA-N 1 0 436.984 2.535 20 0 IFADRO Cc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C(N)=O ZINC001164754444 720885409 /nfs/dbraw/zinc/88/54/09/720885409.db2.gz IXHWTOJFNISFDN-SQJMNOBHSA-N 1 0 435.572 2.639 20 0 IFADRO Cc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C(N)=O ZINC001164754442 720885607 /nfs/dbraw/zinc/88/56/07/720885607.db2.gz IXHWTOJFNISFDN-PXDATVDWSA-N 1 0 435.572 2.639 20 0 IFADRO O=C1COc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2N1 ZINC001164750713 720891683 /nfs/dbraw/zinc/89/16/83/720891683.db2.gz BRNIXWHLIAJPEX-CJFMBICVSA-N 1 0 449.555 2.563 20 0 IFADRO CCNC(=O)c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755653 720897243 /nfs/dbraw/zinc/89/72/43/720897243.db2.gz MJQSPCBHUYNRFD-ATIYNZHBSA-N 1 0 449.599 2.981 20 0 IFADRO Cc1nc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2[nH]1 ZINC001164752674 720898862 /nfs/dbraw/zinc/89/88/62/720898862.db2.gz FQFHXUKYWVZQFF-HYBUGGRVSA-N 1 0 433.560 2.763 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc3ccc(Cl)cc31)CC2 ZINC001164747296 720945687 /nfs/dbraw/zinc/94/56/87/720945687.db2.gz CQLQXBZNSATAAD-UHFFFAOYSA-N 1 0 435.315 2.779 20 0 IFADRO COc1cnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c2cc(Cl)ccc12 ZINC001164749707 720954626 /nfs/dbraw/zinc/95/46/26/720954626.db2.gz GRSSCPMIVPXWIM-UHFFFAOYSA-N 1 0 429.908 2.739 20 0 IFADRO Cc1cc2nc(Cl)c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)nc2cc1C ZINC001164751595 720957885 /nfs/dbraw/zinc/95/78/85/720957885.db2.gz QQOFJMUYUVAROB-UHFFFAOYSA-N 1 0 428.924 2.742 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164750943 720959781 /nfs/dbraw/zinc/95/97/81/720959781.db2.gz NEJMPMOWXFDMBN-UHFFFAOYSA-N 1 0 426.908 2.639 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164750037 720961189 /nfs/dbraw/zinc/96/11/89/720961189.db2.gz JDBDZSHRDUALNC-UHFFFAOYSA-N 1 0 438.866 2.603 20 0 IFADRO CSc1cnc(Cl)c(C(F)(F)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1 ZINC001164750964 720961979 /nfs/dbraw/zinc/96/19/79/720961979.db2.gz OASQOVJGAFWWAH-UHFFFAOYSA-N 1 0 445.923 2.844 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164754759 720969529 /nfs/dbraw/zinc/96/95/29/720969529.db2.gz XEUNUXTUNHCVSK-UHFFFAOYSA-N 1 0 439.894 2.697 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)[C@@H]2C ZINC001164857220 720998133 /nfs/dbraw/zinc/99/81/33/720998133.db2.gz DQLMQCKPJZSZPX-GOSISDBHSA-N 1 0 439.612 2.690 20 0 IFADRO CCOC(=O)N1CCc2nnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)cc2C1 ZINC001164862495 721003600 /nfs/dbraw/zinc/00/36/00/721003600.db2.gz STKZTFKVPQWDGI-INIZCTEOSA-N 1 0 427.553 2.609 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCc4ccccn4)[C@H]3C2)nc1)C1CC1 ZINC001164762385 721022569 /nfs/dbraw/zinc/02/25/69/721022569.db2.gz VISAMLYELPSWAV-ZRBLBEILSA-N 1 0 435.572 2.619 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c(-c4cnn(C)c4)nnn3C[C@@H]2COC)nc1 ZINC001164761769 721025384 /nfs/dbraw/zinc/02/53/84/721025384.db2.gz SWTUJPDCXCTXRZ-WOJBJXKFSA-N 1 0 436.564 2.656 20 0 IFADRO COc1cc2nc(C)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164867303 721090451 /nfs/dbraw/zinc/09/04/51/721090451.db2.gz XUAYVBZBOCLGRL-RBUKOAKNSA-N 1 0 435.528 2.830 20 0 IFADRO COC(=O)c1cc2c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164865457 721119418 /nfs/dbraw/zinc/11/94/18/721119418.db2.gz LLGXUMVTOZIOPB-JKSUJKDBSA-N 1 0 441.919 2.878 20 0 IFADRO COc1nc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879895 721129987 /nfs/dbraw/zinc/12/99/87/721129987.db2.gz VBQYGHHGHYMJOW-HUUCEWRRSA-N 1 0 425.867 2.558 20 0 IFADRO COc1cc2nc(Cl)c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2cc1OC ZINC001164765193 721137654 /nfs/dbraw/zinc/13/76/54/721137654.db2.gz JEEAGNAZVNSPNA-JKSUJKDBSA-N 1 0 442.951 2.992 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C[C@@H]3C2)cn1 ZINC001164765077 721158381 /nfs/dbraw/zinc/15/83/81/721158381.db2.gz IXEXXRSLQGNZPA-GJZGRUSLSA-N 1 0 433.894 2.915 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)C[C@@H]3C2)cn1 ZINC001164773967 721158504 /nfs/dbraw/zinc/15/85/04/721158504.db2.gz ZOCVQJHBYCKWSP-QUCCMNQESA-N 1 0 446.534 2.706 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C[C@@H]3C2)cn1 ZINC001164765071 721159223 /nfs/dbraw/zinc/15/92/23/721159223.db2.gz IXEXXRSLQGNZPA-CABCVRRESA-N 1 0 433.894 2.915 20 0 IFADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164875300 721167828 /nfs/dbraw/zinc/16/78/28/721167828.db2.gz KTUAQDBRGPUCJW-NHCUHLMSSA-N 1 0 428.540 2.902 20 0 IFADRO CCOC(=O)c1cc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2s1 ZINC001164769419 721168419 /nfs/dbraw/zinc/16/84/19/721168419.db2.gz MHUHMUPZKUFGBV-HOTGVXAUSA-N 1 0 426.546 2.560 20 0 IFADRO COC(=O)c1cc2c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164773838 721171734 /nfs/dbraw/zinc/17/17/34/721171734.db2.gz XJNRYKLHXJXFNP-CABCVRRESA-N 1 0 428.924 2.695 20 0 IFADRO COC(=O)c1cc2c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164773840 721172007 /nfs/dbraw/zinc/17/20/07/721172007.db2.gz XJNRYKLHXJXFNP-HUUCEWRRSA-N 1 0 428.924 2.695 20 0 IFADRO c1nc2c(ncnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1-c1ccccc1 ZINC001164880677 721173478 /nfs/dbraw/zinc/17/34/78/721173478.db2.gz WVOSUIJZFZPYSH-SFTDATJTSA-N 1 0 427.512 2.690 20 0 IFADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164770693 721185612 /nfs/dbraw/zinc/18/56/12/721185612.db2.gz OEQFOJOKSNHGKN-GOEBONIOSA-N 1 0 439.894 2.758 20 0 IFADRO COc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(Cl)n1 ZINC001164868453 721190908 /nfs/dbraw/zinc/19/09/08/721190908.db2.gz MWOCDUIJJYXVKI-HUUCEWRRSA-N 1 0 425.867 2.558 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN([C@](F)(COc4cncc(Cl)n4)C(F)F)C[C@H]3C2)cn1 ZINC001164770125 721213777 /nfs/dbraw/zinc/21/37/77/721213777.db2.gz NKNROIFLKRRMMJ-SPYBWZPUSA-N 1 0 444.889 2.627 20 0 IFADRO COc1ccc(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)c(OC)c1 ZINC001164769191 721217679 /nfs/dbraw/zinc/21/76/79/721217679.db2.gz LVJDSDOUZMRHGQ-OALUTQOASA-N 1 0 434.544 2.853 20 0 IFADRO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164760702 721229203 /nfs/dbraw/zinc/22/92/03/721229203.db2.gz GENLFGBQXZRTMP-LEWJYISDSA-N 1 0 431.544 2.729 20 0 IFADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@@H]5OCCN(c6cnccn6)[C@H]5C4)ccc3C2)cc1 ZINC001164761923 721261106 /nfs/dbraw/zinc/26/11/06/721261106.db2.gz KJQAWKFADSLMMA-GOTSBHOMSA-N 1 0 428.540 2.524 20 0 IFADRO Cc1cc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cc(Cl)n1 ZINC001164874998 721262048 /nfs/dbraw/zinc/26/20/48/721262048.db2.gz LEDIDHPLRVZUNK-UHFFFAOYSA-N 1 0 430.927 2.595 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001164875658 721277625 /nfs/dbraw/zinc/27/76/25/721277625.db2.gz YSUBXYQSEPVUSA-UHFFFAOYSA-N 1 0 430.927 2.595 20 0 IFADRO Cc1nc2c3ccccc3oc2c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164872874 721278191 /nfs/dbraw/zinc/27/81/91/721278191.db2.gz GZQHPNZSEBVJTB-UHFFFAOYSA-N 1 0 437.544 2.691 20 0 IFADRO CC(C)c1ccc2ncnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c2c1 ZINC001164873454 721284930 /nfs/dbraw/zinc/28/49/30/721284930.db2.gz MQKNWUOMIQHXCN-UHFFFAOYSA-N 1 0 425.577 2.760 20 0 IFADRO Cc1ccc(N2CCO[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]32)nn1 ZINC001164777197 721309960 /nfs/dbraw/zinc/30/99/60/721309960.db2.gz RRMBPCUTAGOSCS-DNQXCXABSA-N 1 0 442.567 2.832 20 0 IFADRO C[NH+]1CCN(c2ccc(N3CCC4(CCC(CC(=O)N5CC=CC5)CC4)CC3)nn2)CC1 ZINC001164778425 721328245 /nfs/dbraw/zinc/32/82/45/721328245.db2.gz WFHKXPBWIOOJAN-UHFFFAOYSA-N 1 0 438.620 2.794 20 0 IFADRO C[NH+]1CCC(Oc2ccnc(N(c3ccccn3)c3ccnc([C@@H]4COCCN4)n3)c2)CC1 ZINC001164877489 721330017 /nfs/dbraw/zinc/33/00/17/721330017.db2.gz UNNPXWPBXISWAD-FQEVSTJZSA-N 1 0 447.543 2.870 20 0 IFADRO COC(=O)Cc1cccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779774 721348101 /nfs/dbraw/zinc/34/81/01/721348101.db2.gz WJAJXQHNRRNRHJ-QHCPKHFHSA-N 1 0 428.533 2.521 20 0 IFADRO COC(=O)Cc1cccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779773 721348389 /nfs/dbraw/zinc/34/83/89/721348389.db2.gz WJAJXQHNRRNRHJ-HSZRJFAPSA-N 1 0 428.533 2.521 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC4CC4)cn3)C2)C1 ZINC001164776857 721353095 /nfs/dbraw/zinc/35/30/95/721353095.db2.gz DNQDDFLBCVLVHL-XMMPIXPASA-N 1 0 439.560 2.698 20 0 IFADRO CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1Cl ZINC001164889210 721387084 /nfs/dbraw/zinc/38/70/84/721387084.db2.gz LAHQUPLGDZSYCT-HTAPYJJXSA-N 1 0 436.984 2.677 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(NC(=O)OC(C)(C)C)ncn4)C3)O2)CC1 ZINC001164892182 721392536 /nfs/dbraw/zinc/39/25/36/721392536.db2.gz SANBXFVMUMYGTP-JPYJTQIMSA-N 1 0 446.596 2.589 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164883949 721401364 /nfs/dbraw/zinc/40/13/64/721401364.db2.gz CTBVYODQIDGVCS-WMZHIEFXSA-N 1 0 442.995 2.957 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164883953 721401516 /nfs/dbraw/zinc/40/15/16/721401516.db2.gz CTBVYODQIDGVCS-XXBNENTESA-N 1 0 442.995 2.957 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2[nH]1 ZINC001164889452 721404149 /nfs/dbraw/zinc/40/41/49/721404149.db2.gz QQEGXFVMWKGJDJ-CYFREDJKSA-N 1 0 441.576 2.505 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc(OCc5ccccc5)n4)C3)O2)CC1 ZINC001164891107 721410427 /nfs/dbraw/zinc/41/04/27/721410427.db2.gz VFXHNXNPJCWLEU-RDGATRHJSA-N 1 0 437.588 2.821 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(OCc5ccccc5)cnn4)C3)O2)CC1 ZINC001164891455 721419088 /nfs/dbraw/zinc/41/90/88/721419088.db2.gz WGCKSQDBLHRRLE-WIOPSUGQSA-N 1 0 437.588 2.821 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)COc4cccc(Cl)n4)C3)O2)CC1 ZINC001164886513 721421324 /nfs/dbraw/zinc/42/13/24/721421324.db2.gz JIVNMZJMJRFMNZ-XLIONFOSSA-N 1 0 444.954 2.968 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(N)c4)C3)O2)CC1 ZINC001164897412 721430890 /nfs/dbraw/zinc/43/08/90/721430890.db2.gz UAABQTWSNRZQHJ-APWZRJJASA-N 1 0 429.943 2.628 20 0 IFADRO COc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1 ZINC001164893009 721433473 /nfs/dbraw/zinc/43/34/73/721433473.db2.gz IOZWTWMIHBMQPZ-WIOPSUGQSA-N 1 0 437.588 2.918 20 0 IFADRO COc1ccccc1-c1ccnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894947 721437996 /nfs/dbraw/zinc/43/79/96/721437996.db2.gz NRIUAKXIBMREKF-NLFFAJNJSA-N 1 0 437.588 2.918 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894399 721438083 /nfs/dbraw/zinc/43/80/83/721438083.db2.gz LXGJWWQGGBCJJH-NLFFAJNJSA-N 1 0 438.572 2.787 20 0 IFADRO COc1ccccc1-c1ccnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894946 721438321 /nfs/dbraw/zinc/43/83/21/721438321.db2.gz NRIUAKXIBMREKF-NBGIEHNGSA-N 1 0 437.588 2.918 20 0 IFADRO COc1ccc2nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c(C)nc2c1 ZINC001164894873 721439626 /nfs/dbraw/zinc/43/96/26/721439626.db2.gz MUTMOGXBWDAREY-RDPSFJRHSA-N 1 0 425.577 2.712 20 0 IFADRO Cc1nc(-c2ccncc2)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164893001 721442027 /nfs/dbraw/zinc/44/20/27/721442027.db2.gz INMMGWWDOHSGTN-RDGATRHJSA-N 1 0 436.604 2.921 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)C3)O2)CC1 ZINC001164891481 721442963 /nfs/dbraw/zinc/44/29/63/721442963.db2.gz GPIIIWXPVBGDIB-HFZDXXHNSA-N 1 0 448.615 2.793 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc(N(C)C)n1)CC2 ZINC001164790572 721450026 /nfs/dbraw/zinc/45/00/26/721450026.db2.gz ZOEAHTRVCTVOJB-SFHVURJKSA-N 1 0 438.016 2.930 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)c(C(=O)OC)cn1)CC2 ZINC001164787645 721452572 /nfs/dbraw/zinc/45/25/72/721452572.db2.gz OZEARHHTFKMUNQ-LJQANCHMSA-N 1 0 447.576 2.611 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)N(C)C)cn1)CC2 ZINC001164784497 721457878 /nfs/dbraw/zinc/45/78/78/721457878.db2.gz IMQPZJCHOQNFCQ-NRFANRHFSA-N 1 0 430.593 2.517 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(CC(=O)OC)n1)CC2 ZINC001164783644 721458280 /nfs/dbraw/zinc/45/82/80/721458280.db2.gz DZBHSFATHDMDGM-OAQYLSRUSA-N 1 0 431.577 2.531 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164782749 721460873 /nfs/dbraw/zinc/46/08/73/721460873.db2.gz BJDFLGWMKCWIPE-SFHVURJKSA-N 1 0 438.016 2.930 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc3c1CNC3=O)CC2 ZINC001164785032 721462446 /nfs/dbraw/zinc/46/24/46/721462446.db2.gz LGYVCJDVFWYWEE-KRWDZBQOSA-N 1 0 448.995 2.712 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(OC)cnc31)CC2 ZINC001164783704 721464796 /nfs/dbraw/zinc/46/47/96/721464796.db2.gz FVGSLJGIRJNCCM-LJQANCHMSA-N 1 0 441.576 2.767 20 0 IFADRO CCCNC(=O)c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164787964 721467453 /nfs/dbraw/zinc/46/74/53/721467453.db2.gz HAIGOSUMSZRPFC-JOCHJYFZSA-N 1 0 444.620 2.955 20 0 IFADRO O=C(C[C@@H]1COC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21)N1CCC(F)CC1 ZINC001164896872 721478956 /nfs/dbraw/zinc/47/89/56/721478956.db2.gz YNDZGZRZJLNAAJ-KCZVDYSFSA-N 1 0 430.568 2.727 20 0 IFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)CC2 ZINC001164791369 721493215 /nfs/dbraw/zinc/49/32/15/721493215.db2.gz BXUGGXVAEOHASR-UHFFFAOYSA-N 1 0 440.573 2.637 20 0 IFADRO COc1cccc2c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)cc(Cl)nc12 ZINC001164794851 721508285 /nfs/dbraw/zinc/50/82/85/721508285.db2.gz DWOBKERIYJQJPM-UHFFFAOYSA-N 1 0 426.952 2.861 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc4c(Cl)ncnc4c2)CC3)CC1 ZINC001164794261 721510150 /nfs/dbraw/zinc/51/01/50/721510150.db2.gz MJBXCGVGBBGAKG-UHFFFAOYSA-N 1 0 447.921 2.792 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc4ncnc(Cl)c4c2)CC3)CC1 ZINC001164794738 721512076 /nfs/dbraw/zinc/51/20/76/721512076.db2.gz VAKDWKXWYYAISU-UHFFFAOYSA-N 1 0 447.921 2.792 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)CC3)CC1 ZINC001164799151 721517320 /nfs/dbraw/zinc/51/73/20/721517320.db2.gz XLJMWUYKNUFSAU-UHFFFAOYSA-N 1 0 435.910 2.725 20 0 IFADRO CON(C)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911492 721536619 /nfs/dbraw/zinc/53/66/19/721536619.db2.gz WVNQAFFWEAGANS-WMZOPIPTSA-N 1 0 434.899 2.849 20 0 IFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)CC[N@@H+]3C2)c1 ZINC001164907520 721566597 /nfs/dbraw/zinc/56/65/97/721566597.db2.gz NZBCIZXCDFBZJH-BPQIPLTHSA-N 1 0 434.899 2.779 20 0 IFADRO CCOC(=O)c1sc2ncnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1C ZINC001165008364 721730096 /nfs/dbraw/zinc/73/00/96/721730096.db2.gz MVQAMYXHUXCABP-UHFFFAOYSA-N 1 0 445.589 2.699 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncccc2C(=O)NC2CCCCC2)CC1 ZINC001165008834 721730688 /nfs/dbraw/zinc/73/06/88/721730688.db2.gz RYJHHMLXCXNTQO-UHFFFAOYSA-N 1 0 427.593 2.667 20 0 IFADRO COc1cccc(Oc2cncc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)n2)c1 ZINC001165010539 721742551 /nfs/dbraw/zinc/74/25/51/721742551.db2.gz OGBRUESMUJZEHB-UHFFFAOYSA-N 1 0 425.533 2.801 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1 ZINC001165024501 721778053 /nfs/dbraw/zinc/77/80/53/721778053.db2.gz XPRDJOZJIXJWEU-RQTOMXEWSA-N 1 0 442.604 2.863 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1 ZINC001165024504 721778231 /nfs/dbraw/zinc/77/82/31/721778231.db2.gz XPRDJOZJIXJWEU-SLSDLSHTSA-N 1 0 442.604 2.863 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@]3(CN(C(=O)C(C)C)CCO3)C2)nc1 ZINC001165021766 721788256 /nfs/dbraw/zinc/78/82/56/721788256.db2.gz MOKNTJVGKZIWGP-XUZZJYLKSA-N 1 0 430.593 2.719 20 0 IFADRO CCOC(=O)c1cnc(OC)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027101 721809920 /nfs/dbraw/zinc/80/99/20/721809920.db2.gz SFEIHMVSJMYDQK-FFZOFVMBSA-N 1 0 425.533 2.794 20 0 IFADRO CCOC(=O)c1cnc(OC)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027102 721809958 /nfs/dbraw/zinc/80/99/58/721809958.db2.gz SFEIHMVSJMYDQK-PWIZWCRZSA-N 1 0 425.533 2.794 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3S(=O)(=O)CC4)C[C@@H]21 ZINC001165030161 721830883 /nfs/dbraw/zinc/83/08/83/721830883.db2.gz YBZBCCOGKQPNRX-UWWQBHOKSA-N 1 0 447.992 2.592 20 0 IFADRO Cc1nc(CN2CCOC[C@@]3(CN(c4ncccc4C[NH+]4CCCC4)CCO3)C2)cs1 ZINC001164926850 721834157 /nfs/dbraw/zinc/83/41/57/721834157.db2.gz SQSAIXUDMVYEIG-QHCPKHFHSA-N 1 0 443.617 2.550 20 0 IFADRO COC(=O)Cc1c(Cl)ncnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022301 721840040 /nfs/dbraw/zinc/84/00/40/721840040.db2.gz QZDLFXFSNZMSDL-UHFFFAOYSA-N 1 0 448.951 2.964 20 0 IFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164927991 721856003 /nfs/dbraw/zinc/85/60/03/721856003.db2.gz MDOIGGNRGDCZSA-RTWAWAEBSA-N 1 0 426.996 2.860 20 0 IFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164927989 721856260 /nfs/dbraw/zinc/85/62/60/721856260.db2.gz MDOIGGNRGDCZSA-LEWJYISDSA-N 1 0 426.996 2.860 20 0 IFADRO CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C3CCCC3)CC2)c1CN1CC[C@H](CO)C1 ZINC001165031539 721858806 /nfs/dbraw/zinc/85/88/06/721858806.db2.gz BENOUVMUJLCJPK-IBGZPJMESA-N 1 0 443.636 2.945 20 0 IFADRO C[NH+](C)Cc1ccnc(N2CCC(c3nc(-c4ccc(S(C)(=O)=O)cc4)no3)CC2)c1 ZINC001165032871 721876894 /nfs/dbraw/zinc/87/68/94/721876894.db2.gz GOXAXSZKUKWSMI-UHFFFAOYSA-N 1 0 441.557 2.981 20 0 IFADRO COc1cc2cc[nH+]c(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)c2cc1OC ZINC001164936756 721905878 /nfs/dbraw/zinc/90/58/78/721905878.db2.gz UTIGTEKBTXDKSI-UHFFFAOYSA-N 1 0 437.544 2.857 20 0 IFADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2nc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC001164936896 721913797 /nfs/dbraw/zinc/91/37/97/721913797.db2.gz AUUXTTDIGYSPEM-HDICACEKSA-N 1 0 425.606 2.987 20 0 IFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccnc(-n5ccccc5=O)n4)CC3)C2)cc1 ZINC001164939009 721931955 /nfs/dbraw/zinc/93/19/55/721931955.db2.gz GQLBEBSOAJGMKR-UHFFFAOYSA-N 1 0 431.540 2.807 20 0 IFADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CCC(C[NH+](C)C)CC2)C1=O ZINC001165045634 721948103 /nfs/dbraw/zinc/94/81/03/721948103.db2.gz SVPFXTLKCBVBDU-NRFANRHFSA-N 1 0 438.979 2.795 20 0 IFADRO CS(=O)(=O)N1C[C@@H]2CCCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)[C@@H]2C1 ZINC001164953901 721986674 /nfs/dbraw/zinc/98/66/74/721986674.db2.gz SLRGNMXXAFJKLN-WMLDXEAASA-N 1 0 446.951 2.517 20 0 IFADRO c1ccc(CC[NH+]2CCN(c3nccc(-c4cnc(N5CCCCC5)nc4)n3)CC2)nc1 ZINC001165056591 722014276 /nfs/dbraw/zinc/01/42/76/722014276.db2.gz XKYRJMVDTQXIEL-UHFFFAOYSA-N 1 0 430.560 2.684 20 0 IFADRO Clc1ncc(N2CCOCC2)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953744 722018123 /nfs/dbraw/zinc/01/81/23/722018123.db2.gz XVQVTLKQQKILPZ-UHFFFAOYSA-N 1 0 428.968 2.854 20 0 IFADRO CC(C)NS(=O)(=O)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164955681 722021716 /nfs/dbraw/zinc/02/17/16/722021716.db2.gz MWUHGVSYFTWHKY-UHFFFAOYSA-N 1 0 429.590 2.656 20 0 IFADRO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164957470 722029303 /nfs/dbraw/zinc/02/93/03/722029303.db2.gz MDIXHCJSPDHTII-KNKQGSTJSA-N 1 0 428.508 2.906 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)nc1 ZINC001164960894 722045820 /nfs/dbraw/zinc/04/58/20/722045820.db2.gz YBCOSPCFWRDMPJ-FGZHOGPDSA-N 1 0 442.604 2.863 20 0 IFADRO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958876 722052344 /nfs/dbraw/zinc/05/23/44/722052344.db2.gz HHMKCLUPPIJBGE-UHFFFAOYSA-N 1 0 445.951 2.821 20 0 IFADRO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961950 722053931 /nfs/dbraw/zinc/05/39/31/722053931.db2.gz ZRBDQLGNJNZBLG-UHFFFAOYSA-N 1 0 445.951 2.821 20 0 IFADRO Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962377 722054857 /nfs/dbraw/zinc/05/48/57/722054857.db2.gz DJBTUJBFNBQFFF-UHFFFAOYSA-N 1 0 427.940 2.531 20 0 IFADRO O=c1cc2[nH]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c(Cl)cc-2[nH]1 ZINC001164964886 722056934 /nfs/dbraw/zinc/05/69/34/722056934.db2.gz ZCASJMCNZVROQE-UHFFFAOYSA-N 1 0 427.936 2.744 20 0 IFADRO CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963133 722057505 /nfs/dbraw/zinc/05/75/05/722057505.db2.gz HMLBIPNKWQNRNX-UHFFFAOYSA-N 1 0 440.544 2.781 20 0 IFADRO Clc1ncnc2cnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc12 ZINC001164961628 722057689 /nfs/dbraw/zinc/05/76/89/722057689.db2.gz NEFIHHXDSCRCFZ-UHFFFAOYSA-N 1 0 425.924 2.587 20 0 IFADRO Clc1nc2c(c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n1)CN(Cc1ccccc1)C2 ZINC001164966829 722070400 /nfs/dbraw/zinc/07/04/00/722070400.db2.gz DYMIXWSPYXRSQD-KDURUIRLSA-N 1 0 425.964 2.945 20 0 IFADRO COc1cc2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1OC ZINC001164980506 722113614 /nfs/dbraw/zinc/11/36/14/722113614.db2.gz RMMDKQCILFSYTG-MBSDFSHPSA-N 1 0 435.528 2.769 20 0 IFADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979744 722142468 /nfs/dbraw/zinc/14/24/68/722142468.db2.gz MCESPICWVGWFSD-CABCVRRESA-N 1 0 449.893 2.625 20 0 IFADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975441 722156026 /nfs/dbraw/zinc/15/60/26/722156026.db2.gz SVSXGMJFKRQJGL-NVXWUHKLSA-N 1 0 439.894 2.806 20 0 IFADRO FC(F)(Oc1cnc(Cl)cn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972138 722156767 /nfs/dbraw/zinc/15/67/67/722156767.db2.gz FUXZVVDIQIZPQL-JKSUJKDBSA-N 1 0 425.867 2.677 20 0 IFADRO FC(F)(Oc1cnc(Cl)cn1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972136 722157130 /nfs/dbraw/zinc/15/71/30/722157130.db2.gz FUXZVVDIQIZPQL-HZPDHXFCSA-N 1 0 425.867 2.677 20 0 IFADRO COc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)n1 ZINC001164971736 722157426 /nfs/dbraw/zinc/15/74/26/722157426.db2.gz FBAANJUNFDCDIL-JKSUJKDBSA-N 1 0 439.894 2.806 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C2)nc1)C1CC1 ZINC001164993451 722187277 /nfs/dbraw/zinc/18/72/77/722187277.db2.gz ZUGXDLGCGGKFMN-LADGPHEKSA-N 1 0 440.613 2.858 20 0 IFADRO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164996890 722219058 /nfs/dbraw/zinc/21/90/58/722219058.db2.gz BVXNAGIPOJJUHX-XMMPIXPASA-N 1 0 434.544 2.504 20 0 IFADRO COCc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(-c2ccccc2)n1 ZINC001165000977 722251164 /nfs/dbraw/zinc/25/11/64/722251164.db2.gz XLDVUSLWIFJGBD-UHFFFAOYSA-N 1 0 436.560 2.975 20 0 IFADRO COc1cccc(Oc2cncc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)c1 ZINC001165001922 722255271 /nfs/dbraw/zinc/25/52/71/722255271.db2.gz JGUNAWJRFSMGIH-UHFFFAOYSA-N 1 0 438.532 2.963 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CCC2 ZINC001165002583 722255432 /nfs/dbraw/zinc/25/54/32/722255432.db2.gz QVLHXXNHOMMYRS-UHFFFAOYSA-N 1 0 432.928 2.649 20 0 IFADRO CC1CCN(C(=O)c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2)CC1 ZINC001165003381 722256487 /nfs/dbraw/zinc/25/64/87/722256487.db2.gz AZJXQSITUOIYRL-UHFFFAOYSA-N 1 0 440.592 2.639 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1c3c(nnc1Cl)CCC3)CCC2 ZINC001165003834 722256671 /nfs/dbraw/zinc/25/66/71/722256671.db2.gz IVJCIBJEUKGZPH-UHFFFAOYSA-N 1 0 440.926 2.849 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1ncn3-c1ccccc1)CCC2 ZINC001165004909 722257595 /nfs/dbraw/zinc/25/75/95/722257595.db2.gz XCNZPEYSZVKQNU-UHFFFAOYSA-N 1 0 432.532 2.501 20 0 IFADRO O=C1CN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)CC2(CC[NH2+]CC2)N1 ZINC001164391115 718809685 /nfs/dbraw/zinc/80/96/85/718809685.db2.gz FRVGLFPYUMJEJE-UHFFFAOYSA-N 1 0 436.890 2.917 20 0 IFADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164388675 718825855 /nfs/dbraw/zinc/82/58/55/718825855.db2.gz DOJJFRUWWIACRU-JKSUJKDBSA-N 1 0 426.851 2.701 20 0 IFADRO C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164403431 718839577 /nfs/dbraw/zinc/83/95/77/718839577.db2.gz ITKTWGLQUMPVIN-QGZVFWFLSA-N 1 0 426.634 2.650 20 0 IFADRO C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCOCC45C[NH2+]C5)c23)C1 ZINC001164401445 718860841 /nfs/dbraw/zinc/86/08/41/718860841.db2.gz DTBCEAHVRQOZRL-INIZCTEOSA-N 1 0 427.618 2.981 20 0 IFADRO C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164409855 718863790 /nfs/dbraw/zinc/86/37/90/718863790.db2.gz VBXCNVRNPWYKEF-AEFFLSMTSA-N 1 0 427.618 2.981 20 0 IFADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164407778 718865022 /nfs/dbraw/zinc/86/50/22/718865022.db2.gz JUXFGMDABURHFT-DOTOQJQBSA-N 1 0 440.878 2.948 20 0 IFADRO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425563 718917890 /nfs/dbraw/zinc/91/78/90/718917890.db2.gz SZLQPLJJCIKNQH-QGZVFWFLSA-N 1 0 430.908 2.989 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(C)n1)C2 ZINC001164434540 718968581 /nfs/dbraw/zinc/96/85/81/718968581.db2.gz SOYXIZUFVNVSRW-KGLIPLIRSA-N 1 0 428.789 2.505 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164434118 718969364 /nfs/dbraw/zinc/96/93/64/718969364.db2.gz OJTPZMQUGYTWDI-UONOGXRCSA-N 1 0 431.764 2.940 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1nc(Cl)ccc1CN1CCCC1)C2 ZINC001164435013 718970053 /nfs/dbraw/zinc/97/00/53/718970053.db2.gz XKYWLKAZYOGHFX-RTBURBONSA-N 1 0 446.901 2.852 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164432126 718970195 /nfs/dbraw/zinc/97/01/95/718970195.db2.gz FZSZHESYDNPWJD-CABCVRRESA-N 1 0 442.816 2.813 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)nc1OC)C2 ZINC001164617068 719009898 /nfs/dbraw/zinc/00/98/98/719009898.db2.gz LWSUILBYSVOFPU-KUHUBIRLSA-N 1 0 444.910 2.833 20 0 IFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164619905 719010590 /nfs/dbraw/zinc/01/05/90/719010590.db2.gz XNAPPYWCPBVYHY-AUUYWEPGSA-N 1 0 444.910 2.747 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nnc1OC)C2 ZINC001164617134 719011392 /nfs/dbraw/zinc/01/13/92/719011392.db2.gz MMOQXWMICZADDQ-LIRRHRJNSA-N 1 0 444.910 2.833 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4c(cccc4C(=O)OC)n3)CC2)CC1 ZINC001164613857 719024708 /nfs/dbraw/zinc/02/47/08/719024708.db2.gz ICPTUCWAHBMPEL-UHFFFAOYSA-N 1 0 426.517 2.660 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc(Cl)c3[C@@H](C)C(=O)OC)CC2)CC1 ZINC001164618650 719035301 /nfs/dbraw/zinc/03/53/01/719035301.db2.gz XFTPNQYTIKQQMF-CQSZACIVSA-N 1 0 438.956 2.650 20 0 IFADRO CCOC(=O)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1C(=O)OCC ZINC001164621792 719067973 /nfs/dbraw/zinc/06/79/73/719067973.db2.gz HPKRHWDAKMJYFT-UYAOXDASSA-N 1 0 438.528 2.931 20 0 IFADRO [NH3+]C1([C@@H]2CN([C@]3(F)CN(C4CCCC4)c4nc(Cl)ncc4NC3=O)C[C@@H]2CF)CC1 ZINC001164619478 719121051 /nfs/dbraw/zinc/12/10/51/719121051.db2.gz DMPPJTQNEIFMCT-KBARZSOFSA-N 1 0 440.926 2.506 20 0 IFADRO [NH3+]C1([C@@H]2CN([C@]3(F)CN(C4CCCC4)c4nc(Cl)ncc4NC3=O)C[C@H]2CF)CC1 ZINC001164619481 719121435 /nfs/dbraw/zinc/12/14/35/719121435.db2.gz DMPPJTQNEIFMCT-WVSMJXTDSA-N 1 0 440.926 2.506 20 0 IFADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164634301 719136771 /nfs/dbraw/zinc/13/67/71/719136771.db2.gz UKYBCMNXUQEZHJ-NVXWUHKLSA-N 1 0 443.617 2.753 20 0 IFADRO CC(C)C[NH+]1CCN([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3N(C)C2=O)CC1 ZINC001164657550 719336983 /nfs/dbraw/zinc/33/69/83/719336983.db2.gz RFMWCAAADGRPPS-NRFANRHFSA-N 1 0 438.979 2.795 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(COCC(=O)N(C)C)c3C2)nc1 ZINC001164661605 719341530 /nfs/dbraw/zinc/34/15/30/719341530.db2.gz LTNCPGJIMUCNKF-FQEVSTJZSA-N 1 0 427.549 2.784 20 0 IFADRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(Cn4ccc5nc(-c6ccccc6F)nc-5c4)nn3)C[C@@H]21 ZINC001164670481 719376611 /nfs/dbraw/zinc/37/66/11/719376611.db2.gz VDCYYGGTSHUONM-FCHUYYIVSA-N 1 0 445.502 2.547 20 0 IFADRO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H]5OCC[N@H+](C)[C@H]5C3)n2)CCC4)CC1 ZINC001164665938 719443576 /nfs/dbraw/zinc/44/35/76/719443576.db2.gz ABDSHFKASFTGAM-ROUUACIJSA-N 1 0 427.618 2.931 20 0 IFADRO Fc1ccc(CN2CCOCC23CCN(c2nccc(C4CC[NH2+]CC4)n2)CC3)cc1 ZINC001164673989 719516952 /nfs/dbraw/zinc/51/69/52/719516952.db2.gz XHBDNTYLCLDFKG-UHFFFAOYSA-N 1 0 425.552 2.954 20 0 IFADRO c1cn(Cc2ccccc2)c2cc[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)c12 ZINC001164678122 719579817 /nfs/dbraw/zinc/57/98/17/719579817.db2.gz IGOFTNXKRGLUDU-UHFFFAOYSA-N 1 0 429.528 2.529 20 0 IFADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)c2c1CC[NH2+]C2 ZINC001164684599 719621730 /nfs/dbraw/zinc/62/17/30/719621730.db2.gz VIFLLVRXBKGLIZ-QGZVFWFLSA-N 1 0 444.971 2.850 20 0 IFADRO CCOc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164680646 719663864 /nfs/dbraw/zinc/66/38/64/719663864.db2.gz GTCYYDQLBWUNCS-LJQANCHMSA-N 1 0 437.588 2.969 20 0 IFADRO COc1ncc(F)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680092 719666916 /nfs/dbraw/zinc/66/69/16/719666916.db2.gz BVNJGWFIRNUXGX-QGZVFWFLSA-N 1 0 441.551 2.718 20 0 IFADRO CCOc1nccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685853 719680998 /nfs/dbraw/zinc/68/09/98/719680998.db2.gz WDUXEMUONQMSBB-LJQANCHMSA-N 1 0 437.588 2.969 20 0 IFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc4c(nn3)CCOC4)CC2)c2ccccc21 ZINC001164687396 719681304 /nfs/dbraw/zinc/68/13/04/719681304.db2.gz SJTCNAQGNGKYLY-LJQANCHMSA-N 1 0 449.599 2.643 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164685592 719721470 /nfs/dbraw/zinc/72/14/70/719721470.db2.gz MNIVGFTYYCFAHK-UHFFFAOYSA-N 1 0 429.952 2.890 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)CC2 ZINC001164689894 719751343 /nfs/dbraw/zinc/75/13/43/719751343.db2.gz NZCLADHUGVEMAO-UHFFFAOYSA-N 1 0 425.533 2.767 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)CC2 ZINC001164689889 719753046 /nfs/dbraw/zinc/75/30/46/719753046.db2.gz NTGLMIKOHARNBO-UHFFFAOYSA-N 1 0 445.898 2.553 20 0 IFADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@@H]5[C@H](C4)OCCN5c4ncccn4)ccc3C2)cc1 ZINC001164694808 719796802 /nfs/dbraw/zinc/79/68/02/719796802.db2.gz HOJRIMQFEUSCEO-PKTZIBPZSA-N 1 0 428.540 2.524 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@H]3C2)nc1 ZINC001164702965 719885108 /nfs/dbraw/zinc/88/51/08/719885108.db2.gz RMLQFTPLBGGRLL-PLACYPQZSA-N 1 0 436.560 2.756 20 0 IFADRO c1csc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCSCC5)ncn4)CC3)C2)c1 ZINC001164706686 719901726 /nfs/dbraw/zinc/90/17/26/719901726.db2.gz JXPSVILGYGBXHB-UHFFFAOYSA-N 1 0 431.631 2.963 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(F)cc1C(=O)OC)CC2 ZINC001164710259 720098170 /nfs/dbraw/zinc/09/81/70/720098170.db2.gz ICGFSUHDORIFBU-LJQANCHMSA-N 1 0 428.508 2.910 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1C(N)=O)CC2 ZINC001164713012 720098263 /nfs/dbraw/zinc/09/82/63/720098263.db2.gz ZXYNDRYTBIBNRP-KRWDZBQOSA-N 1 0 429.952 2.736 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC)c(OC)n1)CC2 ZINC001164710266 720100424 /nfs/dbraw/zinc/10/04/24/720100424.db2.gz IDFAETGKZNXKMB-LJQANCHMSA-N 1 0 440.544 2.779 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(OC)cc1C(=O)OC)CC2 ZINC001164716144 720108524 /nfs/dbraw/zinc/10/85/24/720108524.db2.gz JFIMLTBDQIIBPW-LJQANCHMSA-N 1 0 440.544 2.779 20 0 IFADRO CCOC(=O)c1nccnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164715602 720117703 /nfs/dbraw/zinc/11/77/03/720117703.db2.gz IIDHMQJFZICPBM-IBGZPJMESA-N 1 0 425.533 2.556 20 0 IFADRO CCOC(=O)c1nccnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164715605 720117734 /nfs/dbraw/zinc/11/77/34/720117734.db2.gz IIDHMQJFZICPBM-LJQANCHMSA-N 1 0 425.533 2.556 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+][n-]c(Cl)c3ncnc1-3)CC2 ZINC001164716175 720126381 /nfs/dbraw/zinc/12/63/81/720126381.db2.gz JIDRAQGTLVKOOI-MRXNPFEDSA-N 1 0 427.940 2.909 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3ncnc(Cl)c3n1)CC2 ZINC001164713070 720129911 /nfs/dbraw/zinc/12/99/11/720129911.db2.gz QAIMZKVCGWKPET-QGZVFWFLSA-N 1 0 439.951 2.976 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-n3cnc(C)c3)nn1)CC2 ZINC001164714145 720130169 /nfs/dbraw/zinc/13/01/69/720130169.db2.gz WKOVYUCFIVPZLI-OAQYLSRUSA-N 1 0 433.560 2.873 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[nH]cc(C(=O)OC)c31)C2 ZINC001164816734 720158782 /nfs/dbraw/zinc/15/87/82/720158782.db2.gz MMWPPPQIXPOEEI-QKKBWIMNSA-N 1 0 433.940 2.583 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[nH]cc(C(=O)OC)c31)C2 ZINC001164816733 720159082 /nfs/dbraw/zinc/15/90/82/720159082.db2.gz MMWPPPQIXPOEEI-LHSJRXKWSA-N 1 0 433.940 2.583 20 0 IFADRO Cn1nnc2c1CCN(C(F)(F)c1cccnc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712454 720166181 /nfs/dbraw/zinc/16/61/81/720166181.db2.gz GVWFWGVNFPYKBC-MRXNPFEDSA-N 1 0 426.899 2.625 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)C2 ZINC001164818138 720171396 /nfs/dbraw/zinc/17/13/96/720171396.db2.gz RWDHVQPFRDFSCI-ACJLOTCBSA-N 1 0 426.899 2.688 20 0 IFADRO Cn1nnc2c1CCN(c1cnc3c(Cl)cccc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717019 720176397 /nfs/dbraw/zinc/17/63/97/720176397.db2.gz JDWFGZZRORWUCV-SFHVURJKSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1cc3ccc(Cl)nc3cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719864 720184986 /nfs/dbraw/zinc/18/49/86/720184986.db2.gz XPWWJYQAMCTUNK-GOSISDBHSA-N 1 0 427.940 2.628 20 0 IFADRO Cc1ccc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1Cl ZINC001164715464 720185047 /nfs/dbraw/zinc/18/50/47/720185047.db2.gz CPWVWQYFUVBKPB-INIZCTEOSA-N 1 0 440.926 2.933 20 0 IFADRO Cn1nnc2c1CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714535 720194208 /nfs/dbraw/zinc/19/42/08/720194208.db2.gz GINIWFPGUMZDMU-GOSISDBHSA-N 1 0 438.580 2.600 20 0 IFADRO Cn1nnc2c1CCN(c1cc(-c3cccs3)ncn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714012 720198990 /nfs/dbraw/zinc/19/89/90/720198990.db2.gz FQSFPZZMKCJUFE-SFHVURJKSA-N 1 0 425.562 2.550 20 0 IFADRO Cn1nnc2c1CCN(c1ccc(-c3ccc(F)cc3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713815 720198995 /nfs/dbraw/zinc/19/89/95/720198995.db2.gz DXVMYYPKSONQGY-OAQYLSRUSA-N 1 0 437.523 2.627 20 0 IFADRO Cc1nc(-c2ccncc2)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1C ZINC001164717647 720200660 /nfs/dbraw/zinc/20/06/60/720200660.db2.gz VRSHSXLUHUUIIE-NRFANRHFSA-N 1 0 448.575 2.500 20 0 IFADRO CSc1ccc2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164718158 720204217 /nfs/dbraw/zinc/20/42/17/720204217.db2.gz XXLJQBRGQXYARQ-HXUWFJFHSA-N 1 0 439.589 2.696 20 0 IFADRO COc1cc2ccnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2cc1F ZINC001164716758 720205308 /nfs/dbraw/zinc/20/53/08/720205308.db2.gz DVADRYIUHLDVSJ-HXUWFJFHSA-N 1 0 440.523 2.727 20 0 IFADRO Cn1nnc2c1CCN(c1c(F)ccc3c(Cl)ncnc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164719651 720206244 /nfs/dbraw/zinc/20/62/44/720206244.db2.gz RYTJMEHPIWZWGP-KRWDZBQOSA-N 1 0 445.930 2.767 20 0 IFADRO CCOC(=O)c1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164815252 720209303 /nfs/dbraw/zinc/20/93/03/720209303.db2.gz XYYFVBTWMBHURO-UHFFFAOYSA-N 1 0 433.940 2.719 20 0 IFADRO CCOC(=O)c1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ncc1Cl ZINC001164813964 720212907 /nfs/dbraw/zinc/21/29/07/720212907.db2.gz RCUAYTZRIGKSQG-UHFFFAOYSA-N 1 0 433.940 2.719 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1CSCC3)CCC2 ZINC001164813507 720214940 /nfs/dbraw/zinc/21/49/40/720214940.db2.gz QLCQUDDVIULUJT-UHFFFAOYSA-N 1 0 434.997 2.727 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)Oc1ccc(Cl)nc1)CCC2 ZINC001164812128 720217390 /nfs/dbraw/zinc/21/73/90/720217390.db2.gz DVTDGMYEDZLSTK-UHFFFAOYSA-N 1 0 427.883 2.967 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)OC(C)(C)C)cn1)CCC2 ZINC001164814098 720222265 /nfs/dbraw/zinc/22/22/65/720222265.db2.gz TUYAHTTUZJMJJN-UHFFFAOYSA-N 1 0 427.549 2.844 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(N)cc(Cl)n1)CCC2 ZINC001164812612 720226627 /nfs/dbraw/zinc/22/66/27/720226627.db2.gz HKDZEAVRCDCMQP-UHFFFAOYSA-N 1 0 426.899 2.669 20 0 IFADRO Cc1cc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(Cl)nn1 ZINC001164814541 720238872 /nfs/dbraw/zinc/23/88/72/720238872.db2.gz XQARQMDGBOJLLQ-UHFFFAOYSA-N 1 0 426.899 2.791 20 0 IFADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164819810 720285932 /nfs/dbraw/zinc/28/59/32/720285932.db2.gz SGEKDZXWEWYYGR-ZWKOTPCHSA-N 1 0 434.968 2.823 20 0 IFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827407 720293286 /nfs/dbraw/zinc/29/32/86/720293286.db2.gz XOXQWNHTZFTDAN-HZPDHXFCSA-N 1 0 427.927 2.895 20 0 IFADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826084 720302536 /nfs/dbraw/zinc/30/25/36/720302536.db2.gz VHFRCKKYEUVUBH-HOTGVXAUSA-N 1 0 427.927 2.895 20 0 IFADRO Cc1nc(Cl)cc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826090 720302696 /nfs/dbraw/zinc/30/26/96/720302696.db2.gz VHFRCKKYEUVUBH-JKSUJKDBSA-N 1 0 427.927 2.895 20 0 IFADRO COc1cc2ncc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2cc1OC ZINC001164821939 720314990 /nfs/dbraw/zinc/31/49/90/720314990.db2.gz LZIUQYFVGNRJNO-VQTJNVASSA-N 1 0 439.560 2.559 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C(=O)NC(C)(C)C)cn2)CC1 ZINC001164823306 720319090 /nfs/dbraw/zinc/31/90/90/720319090.db2.gz AKNRRGYBNXZOJC-UXHICEINSA-N 1 0 427.593 2.521 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164833973 720324211 /nfs/dbraw/zinc/32/42/11/720324211.db2.gz YJPNVCZNLULZOX-VQTJNVASSA-N 1 0 428.577 2.787 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)COc2ccc(Cl)nn2)CC1 ZINC001164821394 720338429 /nfs/dbraw/zinc/33/84/29/720338429.db2.gz AGBNNFQXVRUAJX-CVEARBPZSA-N 1 0 443.926 2.509 20 0 IFADRO CC1CCN(c2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)CC1 ZINC001164821508 720339934 /nfs/dbraw/zinc/33/99/34/720339934.db2.gz AMOKDQMRYFNWSO-RTWAWAEBSA-N 1 0 426.609 2.624 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cncc(N3CCCCCC3)n2)CC1 ZINC001164822744 720346906 /nfs/dbraw/zinc/34/69/06/720346906.db2.gz FDCXNSWVVQYUTR-LEWJYISDSA-N 1 0 426.609 2.769 20 0 IFADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821560 720354253 /nfs/dbraw/zinc/35/42/53/720354253.db2.gz BBIYYFLTIWOAKM-HZPDHXFCSA-N 1 0 443.926 2.595 20 0 IFADRO COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821558 720354271 /nfs/dbraw/zinc/35/42/71/720354271.db2.gz BBIYYFLTIWOAKM-CVEARBPZSA-N 1 0 443.926 2.595 20 0 IFADRO COc1cc(OC)c2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164829333 720354686 /nfs/dbraw/zinc/35/46/86/720354686.db2.gz REYFSXQGKAVAHV-WOJBJXKFSA-N 1 0 439.560 2.559 20 0 IFADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164735350 720448073 /nfs/dbraw/zinc/44/80/73/720448073.db2.gz WMNLUMQCCTXVRL-NHCUHLMSSA-N 1 0 429.590 2.797 20 0 IFADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164730174 720448517 /nfs/dbraw/zinc/44/85/17/720448517.db2.gz IDLNSAUPYUKOEI-WOJBJXKFSA-N 1 0 429.590 2.797 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4cc5c(cc43)OCCO5)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833786 720519038 /nfs/dbraw/zinc/51/90/38/720519038.db2.gz DRIHFGGIDUAYMS-LVCYWYKZSA-N 1 0 434.544 2.975 20 0 IFADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164735237 720520219 /nfs/dbraw/zinc/52/02/19/720520219.db2.gz WYXPDEFOPBOWSU-MRXNPFEDSA-N 1 0 444.580 2.752 20 0 IFADRO CCOC(=O)c1nnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834229 720534501 /nfs/dbraw/zinc/53/45/01/720534501.db2.gz CYGLVTBOHTWGMG-BRWVUGGUSA-N 1 0 432.956 2.881 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)ncc3N3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837426 720548793 /nfs/dbraw/zinc/54/87/93/720548793.db2.gz MOXYYVSSCLFYFL-GBESFXJTSA-N 1 0 445.999 2.541 20 0 IFADRO CON(C)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838955 720550717 /nfs/dbraw/zinc/55/07/17/720550717.db2.gz OYPWKMSQMPPOOJ-CEXWTWQISA-N 1 0 446.983 2.943 20 0 IFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164727295 720561104 /nfs/dbraw/zinc/56/11/04/720561104.db2.gz CZPVSZDEBPWRHS-UHFFFAOYSA-N 1 0 443.599 2.890 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@@H]21 ZINC001164844096 720594281 /nfs/dbraw/zinc/59/42/81/720594281.db2.gz YPTQZQZJOJCJHG-IKGGRYGDSA-N 1 0 437.997 2.713 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C(=O)NC4CCCC4)nn3)CC[C@@H]21 ZINC001164842891 720623223 /nfs/dbraw/zinc/62/32/23/720623223.db2.gz WFGQGRAHQDULST-CBQOVEMMSA-N 1 0 437.592 2.723 20 0 IFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(N4CCSCC4)ncn3)CC[C@@H]21 ZINC001164838152 720627475 /nfs/dbraw/zinc/62/74/75/720627475.db2.gz KATFJGVPBQVOLK-AABGKKOBSA-N 1 0 427.622 2.604 20 0 IFADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741451 720672799 /nfs/dbraw/zinc/67/27/99/720672799.db2.gz TXIQNAWGMHJPBA-CABCVRRESA-N 1 0 432.862 2.960 20 0 IFADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739697 720681921 /nfs/dbraw/zinc/68/19/21/720681921.db2.gz OYLGJCGKBFSSRI-CABCVRRESA-N 1 0 432.862 2.960 20 0 IFADRO C[C@@H]1C(=O)Nc2cnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc2N1C ZINC001164843921 720693076 /nfs/dbraw/zinc/69/30/76/720693076.db2.gz RVYASOOFKDHCBC-IEBWSBKVSA-N 1 0 436.560 2.513 20 0 IFADRO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744383 720722137 /nfs/dbraw/zinc/72/21/37/720722137.db2.gz ZPJCWPKZAHEXSM-CABCVRRESA-N 1 0 431.924 2.822 20 0 IFADRO O=C(c1ccccc1)n1ccc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164743971 720747814 /nfs/dbraw/zinc/74/78/14/720747814.db2.gz QSGQNRUTAQKBLD-SFTDATJTSA-N 1 0 440.507 2.857 20 0 IFADRO c1ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164742854 720754363 /nfs/dbraw/zinc/75/43/63/720754363.db2.gz OOAHVAYBTMJKFQ-OALUTQOASA-N 1 0 431.544 2.752 20 0 IFADRO c1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)nc1 ZINC001164737155 720760425 /nfs/dbraw/zinc/76/04/25/720760425.db2.gz AEWBCZKMNZMIOG-QZTJIDSGSA-N 1 0 425.496 2.824 20 0 IFADRO c1cc2c(nc(-c3ccncc3)nc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164746706 720798652 /nfs/dbraw/zinc/79/86/52/720798652.db2.gz MSUVPDMUEZCVRY-DLBZAZTESA-N 1 0 431.525 2.885 20 0 IFADRO COc1ccc(Oc2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc(C)n2)cc1 ZINC001164749247 720799621 /nfs/dbraw/zinc/79/96/21/720799621.db2.gz SOASXEGYYITPLT-XLIONFOSSA-N 1 0 434.500 2.718 20 0 IFADRO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H]2COC[C@H]12)C1CCC1 ZINC001164845918 720800462 /nfs/dbraw/zinc/80/04/62/720800462.db2.gz IDEYASDOEZXXLH-GMKZXUHWSA-N 1 0 432.568 2.760 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164740653 720823963 /nfs/dbraw/zinc/82/39/63/720823963.db2.gz KIFHALAZZMJFFI-QZNHQXDQSA-N 1 0 446.555 2.992 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164740651 720823988 /nfs/dbraw/zinc/82/39/88/720823988.db2.gz KIFHALAZZMJFFI-MQSCRBSSSA-N 1 0 446.555 2.992 20 0 IFADRO COC(=O)c1ccc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741898 720824141 /nfs/dbraw/zinc/82/41/41/720824141.db2.gz PBKVLUYFJXHBRG-MQSCRBSSSA-N 1 0 446.555 2.992 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc2c1 ZINC001164744461 720824470 /nfs/dbraw/zinc/82/44/70/720824470.db2.gz ULEIBXRXZGHBMN-QZNHQXDQSA-N 1 0 446.555 2.992 20 0 IFADRO Clc1nc2ncsc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737679 720829904 /nfs/dbraw/zinc/82/99/04/720829904.db2.gz BVTVHDCZNFOQJX-RBSFLKMASA-N 1 0 430.969 2.711 20 0 IFADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737924 720830973 /nfs/dbraw/zinc/83/09/73/720830973.db2.gz CKHMVPPNELWEEH-RVKKMQEKSA-N 1 0 437.926 2.833 20 0 IFADRO CCOc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164747322 720832057 /nfs/dbraw/zinc/83/20/57/720832057.db2.gz QDUUIAHHUAIVMF-YCRNBWNJSA-N 1 0 433.560 2.999 20 0 IFADRO Nc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164750305 720833999 /nfs/dbraw/zinc/83/39/99/720833999.db2.gz XFPZGPXVCBZVIJ-HYVNUMGLSA-N 1 0 437.926 2.833 20 0 IFADRO CCOC(=O)/C=C/c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164747445 720837375 /nfs/dbraw/zinc/83/73/75/720837375.db2.gz QNGICQMMPKGRJL-MYVNUALDSA-N 1 0 436.560 2.629 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH]c-2n1 ZINC001164744712 720838909 /nfs/dbraw/zinc/83/89/09/720838909.db2.gz LHFNOVIVWXKUHT-SFHLNBCPSA-N 1 0 449.559 2.711 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH]c-2n1 ZINC001164744713 720839144 /nfs/dbraw/zinc/83/91/44/720839144.db2.gz LHFNOVIVWXKUHT-SVFBPWRDSA-N 1 0 449.559 2.711 20 0 IFADRO CCOC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1Cl ZINC001164748351 720842010 /nfs/dbraw/zinc/84/20/10/720842010.db2.gz UIVRWRKBHNSVGG-ZHALLVOQSA-N 1 0 444.967 2.883 20 0 IFADRO CCOCc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742496 720842554 /nfs/dbraw/zinc/84/25/54/720842554.db2.gz HBYFICCGQCXBRU-QXAKKESOSA-N 1 0 431.972 2.637 20 0 IFADRO C=Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1OC ZINC001164747878 720844278 /nfs/dbraw/zinc/84/42/78/720844278.db2.gz RXRCLKXOAIRRCR-LZLYRXPVSA-N 1 0 429.956 2.753 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)CC[C@@H]2C1 ZINC001164855511 720844538 /nfs/dbraw/zinc/84/45/38/720844538.db2.gz UDUCUGONCBCNLZ-MNOVXSKESA-N 1 0 447.754 2.554 20 0 IFADRO Fc1cccc(-c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164747936 720850794 /nfs/dbraw/zinc/85/07/94/720850794.db2.gz RZULHHDYVZSEQU-HLAWJBBLSA-N 1 0 434.523 2.649 20 0 IFADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(C)nc2c1 ZINC001164748923 720851448 /nfs/dbraw/zinc/85/14/48/720851448.db2.gz MWVQNYXDMNITNH-SFYKDHMMSA-N 1 0 433.560 2.918 20 0 IFADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(C)nc2c1 ZINC001164748915 720851457 /nfs/dbraw/zinc/85/14/57/720851457.db2.gz MWVQNYXDMNITNH-DNVFCKCGSA-N 1 0 433.560 2.918 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc21 ZINC001164744658 720853921 /nfs/dbraw/zinc/85/39/21/720853921.db2.gz CCHKCWOSJBIGLG-YCRNBWNJSA-N 1 0 446.555 2.992 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)CC[C@H]2C1 ZINC001164853150 720865206 /nfs/dbraw/zinc/86/52/06/720865206.db2.gz GOWAUNUAKAAAEY-YOEHRIQHSA-N 1 0 437.903 2.630 20 0 IFADRO Nc1nc(Cl)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750502 720867302 /nfs/dbraw/zinc/86/73/02/720867302.db2.gz JEHGDFZODANQNT-XMSQKQJNSA-N 1 0 428.968 2.862 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)CC[C@H]2C1 ZINC001164854505 720871012 /nfs/dbraw/zinc/87/10/12/720871012.db2.gz KHZPCBXVZZPTHO-VXKWHMMOSA-N 1 0 434.540 2.898 20 0 IFADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)c2c1C ZINC001164861239 720874084 /nfs/dbraw/zinc/87/40/84/720874084.db2.gz PIDZNGOUHBKDNV-DLBZAZTESA-N 1 0 448.589 2.658 20 0 IFADRO COc1nc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164749090 720880634 /nfs/dbraw/zinc/88/06/34/720880634.db2.gz GRWWMZJOJFYJMV-PGRDOPGGSA-N 1 0 444.967 2.684 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)c(Cc4ccc(OC)cc4)c(C)n3)CC[C@H]2C1 ZINC001164862916 720886662 /nfs/dbraw/zinc/88/66/62/720886662.db2.gz SALPFIOENNLKFJ-XUZZJYLKSA-N 1 0 440.588 2.866 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)Oc3ccc(Cl)nc3Cl)CC[C@H]2C1 ZINC001164855304 720888029 /nfs/dbraw/zinc/88/80/29/720888029.db2.gz GRLTYDFNIBGDMI-JSGCOSHPSA-N 1 0 426.291 2.987 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)Oc3ccc(Cl)nc3Cl)CC[C@@H]2C1 ZINC001164855307 720888171 /nfs/dbraw/zinc/88/81/71/720888171.db2.gz GRLTYDFNIBGDMI-OCCSQVGLSA-N 1 0 426.291 2.987 20 0 IFADRO COc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1OC ZINC001164756820 720888843 /nfs/dbraw/zinc/88/88/43/720888843.db2.gz RDSOWWMQTYHIAU-HYBUGGRVSA-N 1 0 439.560 2.644 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3c(Cl)nnc(Cl)c3N3CCCCC3)CC[C@H]2C1 ZINC001164861423 720893205 /nfs/dbraw/zinc/89/32/05/720893205.db2.gz XVYCUTQYFACBLP-HOTGVXAUSA-N 1 0 444.407 2.947 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC[C@H]2C1 ZINC001164855091 720893348 /nfs/dbraw/zinc/89/33/48/720893348.db2.gz AIOZCAPEQLRANQ-QWHCGFSZSA-N 1 0 447.939 2.544 20 0 IFADRO c1cn(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cn1 ZINC001164749945 720897361 /nfs/dbraw/zinc/89/73/61/720897361.db2.gz BAFZUOYDGWKTCC-WIOPSUGQSA-N 1 0 445.571 2.812 20 0 IFADRO c1cn(-c2cncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cn1 ZINC001164757116 720898698 /nfs/dbraw/zinc/89/86/98/720898698.db2.gz SPQKDJJIBNBBHO-RCZVLFRGSA-N 1 0 445.571 2.812 20 0 IFADRO CCNC(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164753137 720908312 /nfs/dbraw/zinc/90/83/12/720908312.db2.gz QIHXWKILQJTASY-OZXSUGGESA-N 1 0 449.599 2.981 20 0 IFADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc4c(nn2)CCOC4)C3)c1 ZINC001164750175 720929056 /nfs/dbraw/zinc/92/90/56/720929056.db2.gz JOZBUYCOPKFQEB-DHLKQENFSA-N 1 0 435.572 2.699 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164751420 720946431 /nfs/dbraw/zinc/94/64/31/720946431.db2.gz RLURMDIZDVIZPP-UHFFFAOYSA-N 1 0 434.274 2.775 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164752447 720954578 /nfs/dbraw/zinc/95/45/78/720954578.db2.gz YDSJRJSOQQESAP-UHFFFAOYSA-N 1 0 438.866 2.603 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164750827 720955179 /nfs/dbraw/zinc/95/51/79/720955179.db2.gz MBXNITJIIFGLCI-UHFFFAOYSA-N 1 0 426.908 2.639 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164754524 720963732 /nfs/dbraw/zinc/96/37/32/720963732.db2.gz SZKULIVQFVGTGU-UHFFFAOYSA-N 1 0 426.908 2.639 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164754933 720964232 /nfs/dbraw/zinc/96/42/32/720964232.db2.gz ZPCLZADCHVYWDM-UHFFFAOYSA-N 1 0 449.540 2.595 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164754175 720968501 /nfs/dbraw/zinc/96/85/01/720968501.db2.gz ODXFJTQVTMFKAY-UHFFFAOYSA-N 1 0 438.557 2.611 20 0 IFADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N(c2ccc(C[NH+]3CCCC3)cn2)C1 ZINC001164757955 721016341 /nfs/dbraw/zinc/01/63/41/721016341.db2.gz GTMLVXDLCWYKRX-MZYLBHOOSA-N 1 0 435.572 2.715 20 0 IFADRO COC(=O)c1ccc2nc(Cl)c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2c1 ZINC001164767437 721083007 /nfs/dbraw/zinc/08/30/07/721083007.db2.gz LTQVDIGBMNGPJO-DLBZAZTESA-N 1 0 440.935 2.762 20 0 IFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867381 721086478 /nfs/dbraw/zinc/08/64/78/721086478.db2.gz YGBIRVTZZBGHNS-VQTJNVASSA-N 1 0 433.512 2.681 20 0 IFADRO COC(=O)c1cc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cnc1Cl ZINC001164773755 721105449 /nfs/dbraw/zinc/10/54/49/721105449.db2.gz YVODZRZKLYVCEU-GJZGRUSLSA-N 1 0 439.894 2.758 20 0 IFADRO COc1cc2nc(Cl)nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164771396 721108847 /nfs/dbraw/zinc/10/88/47/721108847.db2.gz SNQPUKCBPBZMEI-HZPDHXFCSA-N 1 0 442.951 2.992 20 0 IFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762065 721122016 /nfs/dbraw/zinc/12/20/16/721122016.db2.gz BKTPRQZSEXJLCF-LSDHHAIUSA-N 1 0 439.894 2.758 20 0 IFADRO COc1cc2nc(Cl)c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2cc1OC ZINC001164765185 721138917 /nfs/dbraw/zinc/13/89/17/721138917.db2.gz JEEAGNAZVNSPNA-HOTGVXAUSA-N 1 0 442.951 2.992 20 0 IFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164771798 721152189 /nfs/dbraw/zinc/15/21/89/721152189.db2.gz UDOJGKMDJUSMSA-GDBMZVCRSA-N 1 0 439.894 2.758 20 0 IFADRO c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164875301 721167279 /nfs/dbraw/zinc/16/72/79/721167279.db2.gz KTUAQDBRGPUCJW-RTWAWAEBSA-N 1 0 428.540 2.902 20 0 IFADRO c1cncc(CO[C@@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[N@@H+]3C2)c1 ZINC001164875299 721168343 /nfs/dbraw/zinc/16/83/43/721168343.db2.gz KTUAQDBRGPUCJW-LEWJYISDSA-N 1 0 428.540 2.902 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C[C@H]3C2)cn1 ZINC001164764940 721215014 /nfs/dbraw/zinc/21/50/14/721215014.db2.gz HHEBUCSYFJRDML-LEWJYISDSA-N 1 0 446.555 2.997 20 0 IFADRO COc1ccc(OC)c(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)c1 ZINC001164765754 721217700 /nfs/dbraw/zinc/21/77/00/721217700.db2.gz IFOJMDFGJJXDBA-OALUTQOASA-N 1 0 434.544 2.853 20 0 IFADRO COc1ccc2nc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c(C)cc2c1 ZINC001164872856 721261010 /nfs/dbraw/zinc/26/10/10/721261010.db2.gz GIYAKXICRWCJHE-UHFFFAOYSA-N 1 0 426.561 2.559 20 0 IFADRO c1ccc(C[N@@H+]2CCc3nc(N4C[C@@H]5[C@H](C4)OCCN5c4cnccn4)ccc3C2)cc1 ZINC001164761924 721261143 /nfs/dbraw/zinc/26/11/43/721261143.db2.gz KJQAWKFADSLMMA-PKTZIBPZSA-N 1 0 428.540 2.524 20 0 IFADRO CC(C)c1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cc(C(C)(C)C)n1 ZINC001164878689 721289028 /nfs/dbraw/zinc/28/90/28/721289028.db2.gz TURWIFIWAPWCQJ-UHFFFAOYSA-N 1 0 431.625 2.905 20 0 IFADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164879623 721291220 /nfs/dbraw/zinc/29/12/20/721291220.db2.gz XLDLNJMFOJYQCQ-INIZCTEOSA-N 1 0 438.016 2.959 20 0 IFADRO COc1cc2cnc(Cl)cc2cc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164877977 721294055 /nfs/dbraw/zinc/29/40/55/721294055.db2.gz QJIODWWLYCFZON-UHFFFAOYSA-N 1 0 446.979 2.904 20 0 IFADRO COC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1C ZINC001164778330 721346773 /nfs/dbraw/zinc/34/67/73/721346773.db2.gz MVGNEJYLVGKGJN-QHCPKHFHSA-N 1 0 428.533 2.900 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nnc(Cl)cc4-c4ccncc4)C3)O2)CC1 ZINC001164894078 721389985 /nfs/dbraw/zinc/38/99/85/721389985.db2.gz XHJUQTROZURUFM-AUSIDOKSSA-N 1 0 442.995 2.957 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164891871 721399064 /nfs/dbraw/zinc/39/90/64/721399064.db2.gz RBXMGWODECLBOE-LPHOPBHVSA-N 1 0 430.927 2.925 20 0 IFADRO COC(=O)c1ccc2c(ccnc2N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164886592 721404326 /nfs/dbraw/zinc/40/43/26/721404326.db2.gz KGOTZLAHGLSLGF-SQJMNOBHSA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4N)C3)O2)CC1 ZINC001164886246 721414843 /nfs/dbraw/zinc/41/48/43/721414843.db2.gz IJXDUDODPVOBSI-HNAYVOBHSA-N 1 0 429.943 2.628 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164885793 721416497 /nfs/dbraw/zinc/41/64/97/721416497.db2.gz HJEYTEIDMTYOOB-QRWLVFNGSA-N 1 0 437.013 2.814 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(N)cc(Cl)n4)C3)O2)CC1 ZINC001164886544 721418905 /nfs/dbraw/zinc/41/89/05/721418905.db2.gz JRCFLDCGWOQAJU-QFBILLFUSA-N 1 0 429.943 2.628 20 0 IFADRO CCOC(=O)c1c(C)cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164884660 721419624 /nfs/dbraw/zinc/41/96/24/721419624.db2.gz FHAFHYJUVHTKHN-RDPSFJRHSA-N 1 0 430.593 2.641 20 0 IFADRO CCOC(=O)c1cc2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)[nH]c-2n1 ZINC001164885269 721424592 /nfs/dbraw/zinc/42/45/92/721424592.db2.gz GLIBBGYJDOHNEI-NTKDMRAZSA-N 1 0 441.576 2.505 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164896222 721425509 /nfs/dbraw/zinc/42/55/09/721425509.db2.gz RFVMKPWLQDSTTQ-HTAPYJJXSA-N 1 0 448.015 2.826 20 0 IFADRO CCCN(CCC)c1cncc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892984 721425566 /nfs/dbraw/zinc/42/55/66/721425566.db2.gz INFLOHMPUDYEQL-ZJSXRUAMSA-N 1 0 430.641 2.868 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc(OCc5ccccc5)cn4)C3)O2)CC1 ZINC001164890776 721425927 /nfs/dbraw/zinc/42/59/27/721425927.db2.gz FOERLMTXVHKEFQ-DHLKQENFSA-N 1 0 437.588 2.821 20 0 IFADRO CCOC(=O)c1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164892380 721427676 /nfs/dbraw/zinc/42/76/76/721427676.db2.gz IJVPAEIKLJAERK-VGSWGCGISA-N 1 0 436.984 2.677 20 0 IFADRO COc1cccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164891515 721435890 /nfs/dbraw/zinc/43/58/90/721435890.db2.gz GWBYPTPHZXWLBG-DHLKQENFSA-N 1 0 437.588 2.918 20 0 IFADRO COC(=O)c1cc2ccccc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894393 721438075 /nfs/dbraw/zinc/43/80/75/721438075.db2.gz LXGJWWQGGBCJJH-CJFMBICVSA-N 1 0 438.572 2.787 20 0 IFADRO Cc1nc(-c2ccncc2)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164892999 721442072 /nfs/dbraw/zinc/44/20/72/721442072.db2.gz INMMGWWDOHSGTN-DHLKQENFSA-N 1 0 436.604 2.921 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5cccnc5)nc5c4CCC5)C3)O2)CC1 ZINC001164894948 721442907 /nfs/dbraw/zinc/44/29/07/721442907.db2.gz NSSIZGQFGCXJKJ-HFZDXXHNSA-N 1 0 448.615 2.793 20 0 IFADRO Cc1nc(C)c(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)s1 ZINC001164899445 721444223 /nfs/dbraw/zinc/44/42/23/721444223.db2.gz YLUZAETUGXIRHL-AUSIDOKSSA-N 1 0 442.633 2.982 20 0 IFADRO CCCSc1ncnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1OC ZINC001164892717 721450988 /nfs/dbraw/zinc/45/09/88/721450988.db2.gz XMDABGZHCKVMMC-AVRDEDQJSA-N 1 0 435.638 2.753 20 0 IFADRO CCOC(=O)c1cccnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164789373 721451582 /nfs/dbraw/zinc/45/15/82/721451582.db2.gz VBMZVQLHVXMWKB-HXUWFJFHSA-N 1 0 431.577 2.992 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)ccc1C(=O)OC)CC2 ZINC001164784468 721452972 /nfs/dbraw/zinc/45/29/72/721452972.db2.gz FLINYKAVJYCYFS-HXUWFJFHSA-N 1 0 431.577 2.911 20 0 IFADRO COc1cc(C)c2ncnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164892049 721454095 /nfs/dbraw/zinc/45/40/95/721454095.db2.gz WBRZVUBIPZOUAE-DVECYGJZSA-N 1 0 425.577 2.712 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cnc(F)cc31)CC2 ZINC001164784517 721455152 /nfs/dbraw/zinc/45/51/52/721455152.db2.gz FWHTYDCHAJMXLP-SFHVURJKSA-N 1 0 429.540 2.898 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc(SC)n1)CC2 ZINC001164783635 721455224 /nfs/dbraw/zinc/45/52/24/721455224.db2.gz CMENQUHCXLXGFO-INIZCTEOSA-N 1 0 442.029 2.981 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C(=O)OC)c1C)CC2 ZINC001164790136 721455335 /nfs/dbraw/zinc/45/53/35/721455335.db2.gz WXZCLKXTNZZILD-FQEVSTJZSA-N 1 0 431.577 2.911 20 0 IFADRO O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1 ZINC001164891360 721455434 /nfs/dbraw/zinc/45/54/34/721455434.db2.gz UMHNVLHPGQQGDU-VXNXHJTFSA-N 1 0 432.568 2.902 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)CC2 ZINC001164789287 721461031 /nfs/dbraw/zinc/46/10/31/721461031.db2.gz WLZPLVQUJCWQFA-KRWDZBQOSA-N 1 0 448.995 2.964 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(OC(F)F)cn1)CC2 ZINC001164787879 721462512 /nfs/dbraw/zinc/46/25/12/721462512.db2.gz SSVIQRRUTANVQW-KRWDZBQOSA-N 1 0 426.508 2.812 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1ncn3C1CC1)CC2 ZINC001164791183 721467882 /nfs/dbraw/zinc/46/78/82/721467882.db2.gz VBFJKDXEAJXXCZ-HXUWFJFHSA-N 1 0 440.592 2.895 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN([C@@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164789303 721470819 /nfs/dbraw/zinc/47/08/19/721470819.db2.gz MEFUPZAUXINTPK-YLJYHZDGSA-N 1 0 442.963 2.991 20 0 IFADRO Fc1cccnc1OC[C@]12COC[C@H]1CN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164793225 721486967 /nfs/dbraw/zinc/48/69/67/721486967.db2.gz QEOHHJBPAPGFHB-JPYJTQIMSA-N 1 0 428.508 2.622 20 0 IFADRO COC(=O)c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1C(=O)OC ZINC001164793342 721491067 /nfs/dbraw/zinc/49/10/67/721491067.db2.gz QNAQDNRKEMHGNG-UHFFFAOYSA-N 1 0 438.528 2.931 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(Cl)cnc2Cl)CC3)CC1 ZINC001164795802 721509601 /nfs/dbraw/zinc/50/96/01/721509601.db2.gz NJHFUMMRLQQHEG-UHFFFAOYSA-N 1 0 431.318 2.897 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4ccc(Cl)cc4nc2Cl)CC3)CC1 ZINC001164794170 721511678 /nfs/dbraw/zinc/51/16/78/721511678.db2.gz IQVQBCKDVKOAGK-UHFFFAOYSA-N 1 0 432.359 2.901 20 0 IFADRO NC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164897942 721512605 /nfs/dbraw/zinc/51/26/05/721512605.db2.gz GYUIPIKVBGFLNS-DZGCQCFKSA-N 1 0 440.853 2.860 20 0 IFADRO NC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164897951 721512650 /nfs/dbraw/zinc/51/26/50/721512650.db2.gz GYUIPIKVBGFLNS-ZFWWWQNUSA-N 1 0 440.853 2.860 20 0 IFADRO C[C@@H]1CCc2c(sc3ncnc(N4CCn5cc(CN6CC[NH+](C)CC6)nc5C4)c23)C1 ZINC001164794910 721512938 /nfs/dbraw/zinc/51/29/38/721512938.db2.gz YHORREXKADIXAK-MRXNPFEDSA-N 1 0 437.617 2.780 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4cc(Cl)c(Cl)cc42)CC3)CC1 ZINC001164798319 721516941 /nfs/dbraw/zinc/51/69/41/721516941.db2.gz RXTZIGCCTKOTSO-UHFFFAOYSA-N 1 0 432.359 2.901 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccccn4)nc4ccccc42)CC3)CC1 ZINC001164797793 721518530 /nfs/dbraw/zinc/51/85/30/721518530.db2.gz NJHZIDLFCWQBBK-UHFFFAOYSA-N 1 0 440.555 2.656 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4c(-c5ccccc5)nsc42)CC3)CC1 ZINC001164796872 721519650 /nfs/dbraw/zinc/51/96/50/721519650.db2.gz FWGFMDAXPUQLOH-UHFFFAOYSA-N 1 0 446.584 2.717 20 0 IFADRO CCOC(=O)c1c[nH]c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164896881 721521352 /nfs/dbraw/zinc/52/13/52/721521352.db2.gz BRAZDWILOYOUCC-WBVHZDCISA-N 1 0 425.464 2.616 20 0 IFADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[N@@H+]5C[C@H](Oc6cccc(F)c6)C[C@@H]5C4)c3)cc21 ZINC001164910354 721531114 /nfs/dbraw/zinc/53/11/14/721531114.db2.gz UKSGGXWVRZMAOD-UYAOXDASSA-N 1 0 447.514 2.844 20 0 IFADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902616 721536095 /nfs/dbraw/zinc/53/60/95/721536095.db2.gz AMXRLGWASYSIMA-WBVHZDCISA-N 1 0 434.899 2.717 20 0 IFADRO CON(C)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164911488 721536376 /nfs/dbraw/zinc/53/63/76/721536376.db2.gz WVNQAFFWEAGANS-SJLPKXTDSA-N 1 0 434.899 2.849 20 0 IFADRO CON(C)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164911484 721536792 /nfs/dbraw/zinc/53/67/92/721536792.db2.gz WVNQAFFWEAGANS-AEFFLSMTSA-N 1 0 434.899 2.849 20 0 IFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164907550 721550843 /nfs/dbraw/zinc/55/08/43/721550843.db2.gz OHKBTWSTVKTGJD-UKRRQHHQSA-N 1 0 445.882 2.879 20 0 IFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164907549 721550882 /nfs/dbraw/zinc/55/08/82/721550882.db2.gz OHKBTWSTVKTGJD-HIFRSBDPSA-N 1 0 445.882 2.879 20 0 IFADRO COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001164905907 721552384 /nfs/dbraw/zinc/55/23/84/721552384.db2.gz HZJILNGUQBLOLN-ICSRJNTNSA-N 1 0 442.539 2.742 20 0 IFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164904315 721555380 /nfs/dbraw/zinc/55/53/80/721555380.db2.gz DWIOGUUXVKSLLR-OCCSQVGLSA-N 1 0 438.841 2.984 20 0 IFADRO CCOC(=O)Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164906249 721709186 /nfs/dbraw/zinc/70/91/86/721709186.db2.gz LQXQYYTZYDFMHL-NRFANRHFSA-N 1 0 431.487 2.715 20 0 IFADRO CON(C)C(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164909150 721730762 /nfs/dbraw/zinc/73/07/62/721730762.db2.gz CNYGJPUTAGMVNB-OAQYLSRUSA-N 1 0 431.487 2.848 20 0 IFADRO COC(=O)c1cc2c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)[nH]c(Cl)cc-2n1 ZINC001165010870 721742442 /nfs/dbraw/zinc/74/24/42/721742442.db2.gz PWKIHGVLDOJYAO-UHFFFAOYSA-N 1 0 433.940 2.526 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)NC4CC4)cn3)C[C@H]21 ZINC001165024610 721824625 /nfs/dbraw/zinc/82/46/25/721824625.db2.gz KRQFCQPBQWXYAD-ZPMCFJSWSA-N 1 0 441.601 2.654 20 0 IFADRO COC(=O)CSc1cncc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165026745 721826848 /nfs/dbraw/zinc/82/68/48/721826848.db2.gz PYZSAVRUHZSRIK-WDSOQIARSA-N 1 0 427.574 2.874 20 0 IFADRO COC(=O)c1cnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)cc1OC ZINC001165021573 721838377 /nfs/dbraw/zinc/83/83/77/721838377.db2.gz OUBJOYPDIDHQQF-UHFFFAOYSA-N 1 0 429.517 2.995 20 0 IFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(CO)c2C(OC)OC)CC1 ZINC001165022580 721842590 /nfs/dbraw/zinc/84/25/90/721842590.db2.gz POAPQGZLGMOMCZ-UHFFFAOYSA-N 1 0 445.560 2.983 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(CCOC)CCO[C@H]3C2)nc1 ZINC001164923269 721844762 /nfs/dbraw/zinc/84/47/62/721844762.db2.gz UQVKUSNMBHSNDZ-VSKRKVRLSA-N 1 0 430.593 2.719 20 0 IFADRO Fc1cnc(N2CCOC[C@@]3(CCCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)nc1 ZINC001164919765 721846277 /nfs/dbraw/zinc/84/62/77/721846277.db2.gz CPPBIVXVICJXMK-HSZRJFAPSA-N 1 0 426.540 2.730 20 0 IFADRO COC(=O)c1cc2ccc(N3CCC[C@@H]([NH+](C)C)C3)nc2n1S(=O)(=O)c1ccccc1 ZINC001165040438 721892356 /nfs/dbraw/zinc/89/23/56/721892356.db2.gz WDIKXOPBNFOMPL-QGZVFWFLSA-N 1 0 442.541 2.590 20 0 IFADRO CS(=O)(=O)N1C[C@H]2[C@H](C1)CCCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164948217 721983066 /nfs/dbraw/zinc/98/30/66/721983066.db2.gz JYBGOXSNDYDRMY-UNMCSNQZSA-N 1 0 426.586 2.500 20 0 IFADRO CS(=O)(=O)N1C[C@H]2CCCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)[C@@H]2C1 ZINC001164953900 721986548 /nfs/dbraw/zinc/98/65/48/721986548.db2.gz SLRGNMXXAFJKLN-RHSMWYFYSA-N 1 0 446.951 2.517 20 0 IFADRO O=S(=O)(c1cccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)N1CCCC1 ZINC001164955616 722020142 /nfs/dbraw/zinc/02/01/42/722020142.db2.gz KLFCZPXEMABZDP-UHFFFAOYSA-N 1 0 441.601 2.754 20 0 IFADRO COC(=O)c1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ncc2c1 ZINC001164958742 722053711 /nfs/dbraw/zinc/05/37/11/722053711.db2.gz FZHWPWXWJPXIMJ-UHFFFAOYSA-N 1 0 447.539 2.930 20 0 IFADRO O=C(c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1)N1CCCC1 ZINC001164960669 722058328 /nfs/dbraw/zinc/05/83/28/722058328.db2.gz GPTVZVZMVXRIGY-UHFFFAOYSA-N 1 0 435.572 2.832 20 0 IFADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985798 722102863 /nfs/dbraw/zinc/10/28/63/722102863.db2.gz WUEWLRBZNGPYNL-UGKGYDQZSA-N 1 0 447.539 2.929 20 0 IFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975377 722104112 /nfs/dbraw/zinc/10/41/12/722104112.db2.gz BQEQBNFRHRGDKH-DENIHFKCSA-N 1 0 433.512 2.539 20 0 IFADRO COC(=O)c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncc2c1 ZINC001164975519 722104697 /nfs/dbraw/zinc/10/46/97/722104697.db2.gz CDJOQRMFBNHJJS-SIKLNZKXSA-N 1 0 433.512 2.539 20 0 IFADRO CC(C)(C)OC(=O)Nc1nccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982725 722109838 /nfs/dbraw/zinc/10/98/38/722109838.db2.gz XTZOUBHKEIEWCN-RTBURBONSA-N 1 0 440.548 2.946 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1OCC ZINC001164981470 722115509 /nfs/dbraw/zinc/11/55/09/722115509.db2.gz UCKBSKIFPCDAFJ-SIKLNZKXSA-N 1 0 440.544 2.779 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1OCC ZINC001164981468 722115887 /nfs/dbraw/zinc/11/58/87/722115887.db2.gz UCKBSKIFPCDAFJ-KNQAVFIVSA-N 1 0 440.544 2.779 20 0 IFADRO COC(=O)c1cc2ccncc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973885 722123693 /nfs/dbraw/zinc/12/36/93/722123693.db2.gz HUHQBWXELMCMPS-UGKGYDQZSA-N 1 0 433.512 2.539 20 0 IFADRO COc1nc(-c2ccccc2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164973275 722127275 /nfs/dbraw/zinc/12/72/75/722127275.db2.gz GYCSMKALNWDOLA-NHCUHLMSSA-N 1 0 432.528 2.670 20 0 IFADRO COC(=O)c1c(Cl)cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1OC ZINC001164974245 722135862 /nfs/dbraw/zinc/13/58/62/722135862.db2.gz CQVFWYWGAGHQAM-WMZOPIPTSA-N 1 0 446.935 2.653 20 0 IFADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975092 722142596 /nfs/dbraw/zinc/14/25/96/722142596.db2.gz DVLCHMCKQZANRC-LSDHHAIUSA-N 1 0 449.893 2.625 20 0 IFADRO FC(F)(COc1cncc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976064 722144233 /nfs/dbraw/zinc/14/42/33/722144233.db2.gz GXZFTFZNUFBKAO-IAGOWNOFSA-N 1 0 439.894 2.720 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC001165002119 722247368 /nfs/dbraw/zinc/24/73/68/722247368.db2.gz WPBIAOBKCIOKLR-URXFXBBRSA-N 1 0 438.576 2.531 20 0 IFADRO O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1cccc(OCC[NH+]3CCCC3)n1)CCO2 ZINC001165000677 722249512 /nfs/dbraw/zinc/24/95/12/722249512.db2.gz JCPTVDAPGIAMIK-DEOSSOPVSA-N 1 0 440.544 2.661 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncccc1C(=O)NCc1ccccc1)CCC2 ZINC001165000316 722250949 /nfs/dbraw/zinc/25/09/49/722250949.db2.gz OALJUOBVBOQZSI-UHFFFAOYSA-N 1 0 448.571 2.697 20 0 IFADRO Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(NC(=O)c2ccccc2)n1 ZINC001165004948 722257392 /nfs/dbraw/zinc/25/73/92/722257392.db2.gz YKHUELKSMICNNR-UHFFFAOYSA-N 1 0 449.559 2.722 20 0 IFADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000028895317 563068704 /nfs/dbraw/zinc/06/87/04/563068704.db2.gz WORWCSHAOQJOBW-QFIPXVFZSA-N 1 0 427.570 2.621 20 0 IFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390962 718821128 /nfs/dbraw/zinc/82/11/28/718821128.db2.gz RYKQRZWCXQCUIX-HZPDHXFCSA-N 1 0 438.862 2.599 20 0 IFADRO Cc1nc2c(cc(-c3nc(N4CCN5CC[NH2+]C[C@@H]5C4)ncc3F)cc2F)n1C(C)C ZINC001164399458 718834221 /nfs/dbraw/zinc/83/42/21/718834221.db2.gz XFIQQDVHRBLRPN-MRXNPFEDSA-N 1 0 427.503 2.755 20 0 IFADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)cc1 ZINC001164408809 718852807 /nfs/dbraw/zinc/85/28/07/718852807.db2.gz TWOLJCLSCYQORM-YWZLYKJASA-N 1 0 437.874 2.752 20 0 IFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@H]5C[NH2+]C[C@@]5(CO)C4)c32)C1 ZINC001164410286 718853218 /nfs/dbraw/zinc/85/32/18/718853218.db2.gz ZVKYRWZBVATIGU-OJLQRUNKSA-N 1 0 441.645 2.820 20 0 IFADRO OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164402483 718853282 /nfs/dbraw/zinc/85/32/82/718853282.db2.gz FOKYQDOADKMHJU-MWTRTKDXSA-N 1 0 427.618 2.574 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164434140 718967715 /nfs/dbraw/zinc/96/77/15/718967715.db2.gz OXMXVTSGBHQOEW-CHWSQXEVSA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164435069 718968502 /nfs/dbraw/zinc/96/85/02/718968502.db2.gz YIYCAEQGWVIZLD-STQMWFEESA-N 1 0 449.207 2.850 20 0 IFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(OC)c(Cl)n1)C2 ZINC001164431869 718969989 /nfs/dbraw/zinc/96/99/89/718969989.db2.gz CDUMVOXLINTTSR-CABCVRRESA-N 1 0 443.800 2.810 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)nc1OC)C2 ZINC001164617070 719010224 /nfs/dbraw/zinc/01/02/24/719010224.db2.gz LWSUILBYSVOFPU-LIRRHRJNSA-N 1 0 444.910 2.833 20 0 IFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164619914 719010641 /nfs/dbraw/zinc/01/06/41/719010641.db2.gz XNAPPYWCPBVYHY-LIRRHRJNSA-N 1 0 444.910 2.747 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(OC)nc(-c4ccccc4)n3)CC2)CC1 ZINC001164618393 719028869 /nfs/dbraw/zinc/02/88/69/719028869.db2.gz VXQHLYHVOWFKLT-UHFFFAOYSA-N 1 0 425.533 2.791 20 0 IFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)CC2)CC1 ZINC001164617640 719035352 /nfs/dbraw/zinc/03/53/52/719035352.db2.gz OMTNBLHODKIELL-KRWDZBQOSA-N 1 0 438.956 2.542 20 0 IFADRO CCCNC(=O)c1cc(Cl)nc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)n1 ZINC001164617622 719035731 /nfs/dbraw/zinc/03/57/31/719035731.db2.gz OCADMALJGVVDPD-UHFFFAOYSA-N 1 0 437.972 2.514 20 0 IFADRO COC(=O)C1CCN(c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)CC1 ZINC001164621938 719085420 /nfs/dbraw/zinc/08/54/20/719085420.db2.gz IMEICHJZFGMSAK-FCHUYYIVSA-N 1 0 435.572 2.967 20 0 IFADRO O=S(=O)(c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CCCC1 ZINC001164624343 719087848 /nfs/dbraw/zinc/08/78/48/719087848.db2.gz FKLPBSUHUVXIMR-NHCUHLMSSA-N 1 0 426.586 2.967 20 0 IFADRO COC(=O)C1CCN(c2ccnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164628807 719088711 /nfs/dbraw/zinc/08/87/11/719088711.db2.gz ONDLTLCVXJTOSC-VXKWHMMOSA-N 1 0 435.572 2.967 20 0 IFADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCCC5)C[C@H]2CF)CC1 ZINC001164623191 719121634 /nfs/dbraw/zinc/12/16/34/719121634.db2.gz ROAITTKOIZXDGD-WBVHZDCISA-N 1 0 445.608 2.916 20 0 IFADRO [NH3+]C1([C@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@H]2CF)CC1 ZINC001164621778 719122307 /nfs/dbraw/zinc/12/23/07/719122307.db2.gz NHTRGIRBODXFEQ-ZBFHGGJFSA-N 1 0 431.581 2.525 20 0 IFADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164634296 719136468 /nfs/dbraw/zinc/13/64/68/719136468.db2.gz UKYBCMNXUQEZHJ-DOTOQJQBSA-N 1 0 443.617 2.753 20 0 IFADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2c1C ZINC001164637228 719238094 /nfs/dbraw/zinc/23/80/94/719238094.db2.gz UVXMYZZHIDSCFM-CABCVRRESA-N 1 0 447.605 2.537 20 0 IFADRO C[N@@H+]1CCO[C@H]2CN(c3ccc(Cn4ccc5nc(-c6ccccc6F)nc-5c4)nn3)C[C@@H]21 ZINC001164670551 719376330 /nfs/dbraw/zinc/37/63/30/719376330.db2.gz VDCYYGGTSHUONM-VXKWHMMOSA-N 1 0 445.502 2.547 20 0 IFADRO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H]5OCC[N@H+](C)[C@H]5C3)n2)CCC4)CC1 ZINC001164665942 719443827 /nfs/dbraw/zinc/44/38/27/719443827.db2.gz ABDSHFKASFTGAM-ZWKOTPCHSA-N 1 0 427.618 2.931 20 0 IFADRO COC(=O)c1sc2nc(Cc3ccccc3)nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1C ZINC001164670196 719445445 /nfs/dbraw/zinc/44/54/45/719445445.db2.gz NSEMUBYFXGWMDS-SJORKVTESA-N 1 0 438.553 2.896 20 0 IFADRO Fc1ccc(CN2CCOCC23CCN(c2ccc(N4CC[NH2+]CC4)cn2)CC3)cc1 ZINC001164670221 719516417 /nfs/dbraw/zinc/51/64/17/719516417.db2.gz BQAVRHWPCRFORF-UHFFFAOYSA-N 1 0 425.552 2.502 20 0 IFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](OCC(=O)NC)CO3)CC2)nc1 ZINC001164677489 719555443 /nfs/dbraw/zinc/55/54/43/719555443.db2.gz OHIMZPQEOALTGK-SFTDATJTSA-N 1 0 430.593 2.909 20 0 IFADRO CCOC(=O)c1sc2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164682557 719602645 /nfs/dbraw/zinc/60/26/45/719602645.db2.gz DVKAHSCCRGCMSB-UHFFFAOYSA-N 1 0 428.562 2.848 20 0 IFADRO COc1cc2nc(Cl)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2cc1OC ZINC001164685794 719617740 /nfs/dbraw/zinc/61/77/40/719617740.db2.gz WCPUWJLACZZLAL-UHFFFAOYSA-N 1 0 430.940 2.972 20 0 IFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684861 719619199 /nfs/dbraw/zinc/61/91/99/719619199.db2.gz YEWQNOLBRAIKOZ-UHFFFAOYSA-N 1 0 427.883 2.802 20 0 IFADRO Cc1cc2nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc(N3CCOCC3)c2s1 ZINC001164683070 719630521 /nfs/dbraw/zinc/63/05/21/719630521.db2.gz QLKINVNESNUQIV-UHFFFAOYSA-N 1 0 441.605 2.508 20 0 IFADRO CC(C)N(C)Cc1nn([C@@](F)(COc2cncc(Cl)n2)C(F)F)c2c1CC[NH2+]C2 ZINC001164680561 719643752 /nfs/dbraw/zinc/64/37/52/719643752.db2.gz WBPLONQJXWXOFW-SFHVURJKSA-N 1 0 432.878 2.779 20 0 IFADRO CN(C)c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680030 719658209 /nfs/dbraw/zinc/65/82/09/719658209.db2.gz CPYCPYVRBCEPIB-IBGZPJMESA-N 1 0 436.604 2.636 20 0 IFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(F)c[n+]3[O-])CC2)c2ccccc21 ZINC001164682899 719662669 /nfs/dbraw/zinc/66/26/69/719662669.db2.gz TYWBIKVHQUOTIW-GOSISDBHSA-N 1 0 426.536 2.553 20 0 IFADRO COc1ncnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164685625 719666818 /nfs/dbraw/zinc/66/68/18/719666818.db2.gz VOIOXOVVHQUWSF-LJQANCHMSA-N 1 0 437.588 2.887 20 0 IFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164689811 719751880 /nfs/dbraw/zinc/75/18/80/719751880.db2.gz KBLNWALVXNEHRP-UHFFFAOYSA-N 1 0 429.952 2.890 20 0 IFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001164691696 719802183 /nfs/dbraw/zinc/80/21/83/719802183.db2.gz IYBLMJZYNAWFRD-MSOLQXFVSA-N 1 0 448.905 2.541 20 0 IFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(=O)N4CCOCC4)cn2)CC3)cs1 ZINC001164692282 719804095 /nfs/dbraw/zinc/80/40/95/719804095.db2.gz MIOAFTGAKGLYHD-UHFFFAOYSA-N 1 0 441.601 2.954 20 0 IFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)ccc2S(N)(=O)=O)CC3)cs1 ZINC001164692650 719814910 /nfs/dbraw/zinc/81/49/10/719814910.db2.gz QSDZEOBQIRBFTG-UHFFFAOYSA-N 1 0 442.010 2.782 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164703701 719876683 /nfs/dbraw/zinc/87/66/83/719876683.db2.gz KFIIETLZZGTNIA-IMSXRSKXSA-N 1 0 430.593 2.861 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164703702 719876781 /nfs/dbraw/zinc/87/67/81/719876781.db2.gz KFIIETLZZGTNIA-LGVFNWMJSA-N 1 0 430.593 2.861 20 0 IFADRO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699319 719896110 /nfs/dbraw/zinc/89/61/10/719896110.db2.gz ZQQTYMVBOJRSQX-UHFFFAOYSA-N 1 0 430.574 2.956 20 0 IFADRO COCCOC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164706814 719903551 /nfs/dbraw/zinc/90/35/51/719903551.db2.gz KPKLRTXDECOSRF-UHFFFAOYSA-N 1 0 431.558 2.818 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@H]3C2)nc1 ZINC001164703098 719923249 /nfs/dbraw/zinc/92/32/49/719923249.db2.gz IPYBADGGOYPEBV-CLAROIROSA-N 1 0 428.577 2.881 20 0 IFADRO CCOC(=O)c1cnc(C)nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164714827 720108832 /nfs/dbraw/zinc/10/88/32/720108832.db2.gz CFRGSLBPYDLQFY-HXUWFJFHSA-N 1 0 439.560 2.864 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)c(F)cn1)CC2 ZINC001164716219 720109455 /nfs/dbraw/zinc/10/94/55/720109455.db2.gz JKTNUSYOGASOFU-SFHVURJKSA-N 1 0 428.508 2.910 20 0 IFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1N1CCOCC1)C2 ZINC001164812086 720112489 /nfs/dbraw/zinc/11/24/89/720112489.db2.gz OMAOXOAJZHLBDD-CPJSRVTESA-N 1 0 437.588 2.651 20 0 IFADRO CCOC(=O)c1ncnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1C ZINC001164716246 720123844 /nfs/dbraw/zinc/12/38/44/720123844.db2.gz JMRBYLKKXIMVTL-FQEVSTJZSA-N 1 0 439.560 2.864 20 0 IFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-n3cnc(C)c3)nn1)CC2 ZINC001164714142 720130024 /nfs/dbraw/zinc/13/00/24/720130024.db2.gz WKOVYUCFIVPZLI-NRFANRHFSA-N 1 0 433.560 2.873 20 0 IFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)nccc1C(N)=O)CC2 ZINC001164713530 720153155 /nfs/dbraw/zinc/15/31/55/720153155.db2.gz RJOIQDYRUHWKDI-QGZVFWFLSA-N 1 0 429.952 2.736 20 0 IFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C(=O)Nc1cc(C)on1)C2 ZINC001164820284 720161896 /nfs/dbraw/zinc/16/18/96/720161896.db2.gz ZXGLTDQAIWIABN-WZONZLPQSA-N 1 0 425.533 2.815 20 0 IFADRO Cc1cc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)cc(Cl)n1 ZINC001164715245 720167673 /nfs/dbraw/zinc/16/76/73/720167673.db2.gz UAAAMLVYMJMVOW-QGZVFWFLSA-N 1 0 440.926 2.933 20 0 IFADRO Cn1nnc2c1CCN(c1cnc3cccc(Cl)c3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715137 720173097 /nfs/dbraw/zinc/17/30/97/720173097.db2.gz SULBLOSXLLIDMD-GOSISDBHSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3cccc(F)c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718217 720176152 /nfs/dbraw/zinc/17/61/52/720176152.db2.gz NRMWJHNKSYPMLR-QGZVFWFLSA-N 1 0 445.930 2.767 20 0 IFADRO Cn1nnc2c1CCN(c1ccc3cc(Cl)cnc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719207 720179698 /nfs/dbraw/zinc/17/96/98/720179698.db2.gz ULLAFIUTJYUYLL-SFHVURJKSA-N 1 0 427.940 2.628 20 0 IFADRO Cc1cc(Cl)ncc1C(F)(F)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164717780 720182650 /nfs/dbraw/zinc/18/26/50/720182650.db2.gz MKTMEWFPLYVMMB-KRWDZBQOSA-N 1 0 440.926 2.933 20 0 IFADRO Cn1nnc2c1CCN(c1nncc3cc(Cl)ccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715487 720184893 /nfs/dbraw/zinc/18/48/93/720184893.db2.gz CUPKXAOTUXYHFW-LJQANCHMSA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1ncc3c(Cl)cccc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718782 720184914 /nfs/dbraw/zinc/18/49/14/720184914.db2.gz QZVXDADOICZRMK-IBGZPJMESA-N 1 0 427.940 2.628 20 0 IFADRO Cn1nnc2c1CCN(c1ccc3c(Cl)ccnc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718761 720187150 /nfs/dbraw/zinc/18/71/50/720187150.db2.gz QOBAPLVNSKTOEH-SFHVURJKSA-N 1 0 427.940 2.628 20 0 IFADRO Cc1c[nH]c2nc(Cl)cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164715774 720195482 /nfs/dbraw/zinc/19/54/82/720195482.db2.gz NDWOYTXUAVXTRV-QGZVFWFLSA-N 1 0 429.956 2.869 20 0 IFADRO Cn1nnc2c1CCN(c1ccc(-c3cccc(F)c3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713276 720199482 /nfs/dbraw/zinc/19/94/82/720199482.db2.gz ALOVSKWQAXVKAK-NRFANRHFSA-N 1 0 437.523 2.627 20 0 IFADRO Cc1nc(-c2ccccn2)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1C ZINC001164716697 720200402 /nfs/dbraw/zinc/20/04/02/720200402.db2.gz RSUCFUAIAATCPO-OAQYLSRUSA-N 1 0 448.575 2.500 20 0 IFADRO Cc1c(Cl)nc(C(C)C)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164717085 720204092 /nfs/dbraw/zinc/20/40/92/720204092.db2.gz SANVBSSBSRUQKU-KRWDZBQOSA-N 1 0 433.988 2.907 20 0 IFADRO Cn1nnc2c1CCN(c1cncc(-c3ccc(F)cc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720327 720204817 /nfs/dbraw/zinc/20/48/17/720204817.db2.gz YMDYRXJTAYXVBH-OAQYLSRUSA-N 1 0 437.523 2.627 20 0 IFADRO COc1cc2ccnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2cc1F ZINC001164716755 720205228 /nfs/dbraw/zinc/20/52/28/720205228.db2.gz DVADRYIUHLDVSJ-FQEVSTJZSA-N 1 0 440.523 2.727 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2[nH]1 ZINC001164814702 720218964 /nfs/dbraw/zinc/21/89/64/720218964.db2.gz VMCPHSUNWIFIBE-UHFFFAOYSA-N 1 0 438.532 2.547 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c(Cl)ncnc31)CCC2 ZINC001164818257 720242031 /nfs/dbraw/zinc/24/20/31/720242031.db2.gz XUCXYHMUWFSPLX-UHFFFAOYSA-N 1 0 449.346 2.534 20 0 IFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cncc(OCC3CCCC3)n1)CCC2 ZINC001164816093 720246018 /nfs/dbraw/zinc/24/60/18/720246018.db2.gz GOBIFUPAAZMFJK-UHFFFAOYSA-N 1 0 426.565 2.853 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(NC(=O)OC(C)(C)C)ncn2)CC1 ZINC001164819156 720301953 /nfs/dbraw/zinc/30/19/53/720301953.db2.gz CJRHRMZXRGKASV-ROUUACIJSA-N 1 0 444.580 2.735 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(NC(=O)OC(C)(C)C)ncn2)CC1 ZINC001164819159 720302137 /nfs/dbraw/zinc/30/21/37/720302137.db2.gz CJRHRMZXRGKASV-ZWKOTPCHSA-N 1 0 444.580 2.735 20 0 IFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(CC(=O)NC)C3)nc1 ZINC001164722364 720304689 /nfs/dbraw/zinc/30/46/89/720304689.db2.gz KREHRPBJJIDFKB-DHLKQENFSA-N 1 0 443.636 2.683 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(Cl)n1 ZINC001164824496 720309577 /nfs/dbraw/zinc/30/95/77/720309577.db2.gz RDPZHVCXZWUSRH-JKSUJKDBSA-N 1 0 427.927 2.895 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2[nH]1 ZINC001164825084 720312433 /nfs/dbraw/zinc/31/24/33/720312433.db2.gz SIKONFZHVPPRSI-WOJBJXKFSA-N 1 0 439.560 2.651 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2[nH]1 ZINC001164825078 720312820 /nfs/dbraw/zinc/31/28/20/720312820.db2.gz SIKONFZHVPPRSI-PMACEKPBSA-N 1 0 439.560 2.651 20 0 IFADRO CSc1nc2c(c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n1)CCCC2 ZINC001164824598 720315572 /nfs/dbraw/zinc/31/55/72/720315572.db2.gz SAOHFHBHLLPGSO-VQTJNVASSA-N 1 0 429.634 2.989 20 0 IFADRO Cc1nc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001164833906 720322435 /nfs/dbraw/zinc/32/24/35/720322435.db2.gz XYDDWOHOURBWJI-CABCVRRESA-N 1 0 434.997 2.960 20 0 IFADRO CCOC(=O)/C=C/c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164831998 720327991 /nfs/dbraw/zinc/32/79/91/720327991.db2.gz SRXCMXDRLZWMGO-ZMZLFLRISA-N 1 0 426.561 2.569 20 0 IFADRO COc1cc2c(cc1F)ncnc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164824773 720328029 /nfs/dbraw/zinc/32/80/29/720328029.db2.gz DHGLMAQKOUUCOV-VQTJNVASSA-N 1 0 427.524 2.689 20 0 IFADRO CSc1nc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2s1 ZINC001164823894 720329343 /nfs/dbraw/zinc/32/93/43/720329343.db2.gz BPNPHZPBHGWHCI-CABCVRRESA-N 1 0 432.619 2.720 20 0 IFADRO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833746 720334152 /nfs/dbraw/zinc/33/41/52/720334152.db2.gz XOBYUNDOVDECOI-CVEARBPZSA-N 1 0 443.926 2.595 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(N)c2)CC1 ZINC001164828918 720334471 /nfs/dbraw/zinc/33/44/71/720334471.db2.gz KOBHWUOFWKRETB-IAGOWNOFSA-N 1 0 427.927 2.774 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(N)c2)CC1 ZINC001164828920 720334492 /nfs/dbraw/zinc/33/44/92/720334492.db2.gz KOBHWUOFWKRETB-IRXDYDNUSA-N 1 0 427.927 2.774 20 0 IFADRO CC1CCN(c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)CC1 ZINC001164821506 720339964 /nfs/dbraw/zinc/33/99/64/720339964.db2.gz AMOKDQMRYFNWSO-NHCUHLMSSA-N 1 0 426.609 2.624 20 0 IFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(-c3nc(C4CC4)no3)ccn2)CC1 ZINC001164831272 720349342 /nfs/dbraw/zinc/34/93/42/720349342.db2.gz YRWZNXPTJJYVLS-UXHICEINSA-N 1 0 436.560 2.921 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1C ZINC001164826734 720351435 /nfs/dbraw/zinc/35/14/35/720351435.db2.gz KXOBKBTVQKZKMX-RBUKOAKNSA-N 1 0 434.968 2.742 20 0 IFADRO CCCSc1ncnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1OC ZINC001164830284 720354071 /nfs/dbraw/zinc/35/40/71/720354071.db2.gz VRJDACDHTMHRIB-ROUUACIJSA-N 1 0 433.622 2.899 20 0 IFADRO CC(=O)N(C)Cc1nnc2n1CCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164829724 720413530 /nfs/dbraw/zinc/41/35/30/720413530.db2.gz OEAZHUMJGWJQSB-UHFFFAOYSA-N 1 0 445.571 2.620 20 0 IFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1C ZINC001164731514 720428260 /nfs/dbraw/zinc/42/82/60/720428260.db2.gz LITDLMFUPVULHS-JKSUJKDBSA-N 1 0 426.908 2.657 20 0 IFADRO O=S(=O)(c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1)N1CCCCC1 ZINC001164727149 720437817 /nfs/dbraw/zinc/43/78/17/720437817.db2.gz DDUARMXPIIMQMK-NHCUHLMSSA-N 1 0 427.574 2.504 20 0 IFADRO O=S(=O)(c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1)N1CCCCC1 ZINC001164727158 720438302 /nfs/dbraw/zinc/43/83/02/720438302.db2.gz DDUARMXPIIMQMK-SFTDATJTSA-N 1 0 427.574 2.504 20 0 IFADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164733451 720445499 /nfs/dbraw/zinc/44/54/99/720445499.db2.gz PPLUSVYKTOEOIS-DZFGPLHGSA-N 1 0 429.590 2.797 20 0 IFADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164735349 720448127 /nfs/dbraw/zinc/44/81/27/720448127.db2.gz WMNLUMQCCTXVRL-LEWJYISDSA-N 1 0 429.590 2.797 20 0 IFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc3c2ncn3Cc2ccccc2)C1 ZINC001164730795 720510205 /nfs/dbraw/zinc/51/02/05/720510205.db2.gz NMVNDLYEQCIGFX-KRWDZBQOSA-N 1 0 436.951 2.923 20 0 IFADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164731369 720512644 /nfs/dbraw/zinc/51/26/44/720512644.db2.gz WRIJAXFJYWCNEQ-OAHLLOKOSA-N 1 0 426.546 2.776 20 0 IFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)C1 ZINC001164736565 720533986 /nfs/dbraw/zinc/53/39/86/720533986.db2.gz ZLZWIAXFNDVHEX-CYBMUJFWSA-N 1 0 428.871 2.766 20 0 IFADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164835384 720534923 /nfs/dbraw/zinc/53/49/23/720534923.db2.gz GZLUJXPBGIHPOT-RCCFBDPRSA-N 1 0 446.983 2.810 20 0 IFADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839620 720548381 /nfs/dbraw/zinc/54/83/81/720548381.db2.gz QVLHKRYSXYZANI-ZIFCJYIRSA-N 1 0 446.983 2.810 20 0 IFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(OC)c1 ZINC001164837368 720564326 /nfs/dbraw/zinc/56/43/26/720564326.db2.gz MBGUXGUSMBWEBY-SLFFLAALSA-N 1 0 427.549 2.841 20 0 IFADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736818 720585018 /nfs/dbraw/zinc/58/50/18/720585018.db2.gz UVMVKAFJCNEJDR-IBGZPJMESA-N 1 0 444.889 2.790 20 0 IFADRO COC(=O)CSc1cccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836608 720585321 /nfs/dbraw/zinc/58/53/21/720585321.db2.gz FYMCIRRPKPPPPK-GBESFXJTSA-N 1 0 429.590 2.921 20 0 IFADRO COC(=O)CSc1cccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164836614 720585615 /nfs/dbraw/zinc/58/56/15/720585615.db2.gz FYMCIRRPKPPPPK-IPMKNSEASA-N 1 0 429.590 2.921 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)NC4CCCC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842895 720623767 /nfs/dbraw/zinc/62/37/67/720623767.db2.gz WFGQGRAHQDULST-RCZSKKKRSA-N 1 0 437.592 2.723 20 0 IFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(O[C@H]4CCOC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839973 720644993 /nfs/dbraw/zinc/64/49/93/720644993.db2.gz LOZVAKDQSZCQKR-YDZRNGNQSA-N 1 0 446.983 2.872 20 0 IFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843245 720647384 /nfs/dbraw/zinc/64/73/84/720647384.db2.gz VTGBTOZMUGTRFT-VSZNYVQBSA-N 1 0 446.983 2.981 20 0 IFADRO CCOC(=O)c1cnc(OC)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843318 720684647 /nfs/dbraw/zinc/68/46/47/720684647.db2.gz NSXGYGUFKLDDDS-LJQANCHMSA-N 1 0 440.544 2.922 20 0 IFADRO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741116 720744913 /nfs/dbraw/zinc/74/49/13/720744913.db2.gz MFGPQXBZFUTMSM-RYUDHWBXSA-N 1 0 431.274 2.546 20 0 IFADRO COC(=O)c1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2C)cc1 ZINC001164738132 720750461 /nfs/dbraw/zinc/75/04/61/720750461.db2.gz DTXVIDFZXQYXKI-RTWAWAEBSA-N 1 0 445.523 2.976 20 0 IFADRO COc1ccc(Oc2cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc(C)n2)cc1 ZINC001164749244 720799019 /nfs/dbraw/zinc/79/90/19/720799019.db2.gz SOASXEGYYITPLT-FXAWDEMLSA-N 1 0 434.500 2.718 20 0 IFADRO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H]2COC[C@@H]12)C1CCC1 ZINC001164846102 720800448 /nfs/dbraw/zinc/80/04/48/720800448.db2.gz IDEYASDOEZXXLH-QPTUXGOLSA-N 1 0 432.568 2.760 20 0 IFADRO Clc1cccc(COc2cncc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164742384 720801318 /nfs/dbraw/zinc/80/13/18/720801318.db2.gz CYDJZMVYNPYKIK-RBUKOAKNSA-N 1 0 438.919 2.841 20 0 IFADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747924 720812633 /nfs/dbraw/zinc/81/26/33/720812633.db2.gz PSGXUYGCKVMKJR-SBIZYIHDSA-N 1 0 436.560 2.629 20 0 IFADRO O=C(c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CCCCC1 ZINC001164747404 720812643 /nfs/dbraw/zinc/81/26/43/720812643.db2.gz OAGZFHYWKLSRJU-FUPPJEDESA-N 1 0 449.603 2.679 20 0 IFADRO O=C([C@@H]1CC[C@@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1)N1CCCO1 ZINC001164848820 720818948 /nfs/dbraw/zinc/81/89/48/720818948.db2.gz NIFKANVLWQGPRD-SMIHKQSGSA-N 1 0 448.567 2.930 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(Cl)n1 ZINC001164745109 720822103 /nfs/dbraw/zinc/82/21/03/720822103.db2.gz WHDULFDHYKNAPM-YESZJQIVSA-N 1 0 437.926 2.954 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2[nH]1 ZINC001164741277 720823857 /nfs/dbraw/zinc/82/38/57/720823857.db2.gz NANTZTPDRIZBAL-QKNQBKEWSA-N 1 0 449.559 2.711 20 0 IFADRO Clc1nnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2c1CCCC2 ZINC001164745131 720825818 /nfs/dbraw/zinc/82/58/18/720825818.db2.gz WNHFPNIBKKRITE-FUHIMQAGSA-N 1 0 427.984 2.980 20 0 IFADRO COc1cc2ncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2cc1OC ZINC001164740657 720826001 /nfs/dbraw/zinc/82/60/01/720826001.db2.gz KIFLVAWLOUZIBP-WAOWUJCRSA-N 1 0 449.559 2.618 20 0 IFADRO COc1cc2ncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2cc1OC ZINC001164740655 720826322 /nfs/dbraw/zinc/82/63/22/720826322.db2.gz KIFLVAWLOUZIBP-DBXWQHBBSA-N 1 0 449.559 2.618 20 0 IFADRO COC(OC)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748314 720841120 /nfs/dbraw/zinc/84/11/20/720841120.db2.gz UDTLRACMZKMLPP-QKNQBKEWSA-N 1 0 426.565 2.652 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)CC[C@H]2C1 ZINC001164854308 720841867 /nfs/dbraw/zinc/84/18/67/720841867.db2.gz RCVFNDFYZLAHKI-HKUYNNGSSA-N 1 0 436.984 2.535 20 0 IFADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c1Cl ZINC001164852570 720843634 /nfs/dbraw/zinc/84/36/34/720843634.db2.gz KYHDCUJWMLVDJT-DZGCQCFKSA-N 1 0 432.348 2.739 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)nn1 ZINC001164741194 720848323 /nfs/dbraw/zinc/84/83/23/720848323.db2.gz DTBARSBAAPKPJL-SOLBZPMBSA-N 1 0 437.926 2.954 20 0 IFADRO Fc1cccc(-c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164747950 720851133 /nfs/dbraw/zinc/85/11/33/720851133.db2.gz RZULHHDYVZSEQU-SESVDKBCSA-N 1 0 434.523 2.649 20 0 IFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164860155 720852006 /nfs/dbraw/zinc/85/20/06/720852006.db2.gz VPMLXSSJDYLHIU-YJBOKZPZSA-N 1 0 448.951 2.633 20 0 IFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164860153 720852203 /nfs/dbraw/zinc/85/22/03/720852203.db2.gz VPMLXSSJDYLHIU-QAPCUYQASA-N 1 0 448.951 2.633 20 0 IFADRO c1ncn(C[C@H]2C[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748249 720855655 /nfs/dbraw/zinc/85/56/55/720855655.db2.gz LGYGYEWPYXNHET-PWRODBHTSA-N 1 0 446.559 2.980 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164753516 720857761 /nfs/dbraw/zinc/85/77/61/720857761.db2.gz WZRSJEZCLYVALH-ABSDTBQOSA-N 1 0 444.967 2.801 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164753518 720857773 /nfs/dbraw/zinc/85/77/73/720857773.db2.gz WZRSJEZCLYVALH-MBOZVWFJSA-N 1 0 444.967 2.801 20 0 IFADRO COc1cc(OC)c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164752783 720859754 /nfs/dbraw/zinc/85/97/54/720859754.db2.gz UQLSWSPNOUGUMD-WAOWUJCRSA-N 1 0 449.559 2.618 20 0 IFADRO CCOC(=O)c1cc2c(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164851580 720862999 /nfs/dbraw/zinc/86/29/99/720862999.db2.gz BCWLTKVRSJTEAF-XLIONFOSSA-N 1 0 430.549 2.530 20 0 IFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C3)c2c1 ZINC001164859358 720872222 /nfs/dbraw/zinc/87/22/22/720872222.db2.gz MUYUNHGZNOQXOQ-LPHOPBHVSA-N 1 0 448.951 2.633 20 0 IFADRO Cn1cnc2c1ncnc2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754389 720874638 /nfs/dbraw/zinc/87/46/38/720874638.db2.gz RPDMRTPMEODFPJ-YKSBVNFPSA-N 1 0 433.560 2.513 20 0 IFADRO O=C1Cc2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2N1 ZINC001164750026 720876342 /nfs/dbraw/zinc/87/63/42/720876342.db2.gz IKSIZSNHNJQSQZ-BWKNWUBXSA-N 1 0 433.556 2.726 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C(=O)NC4CCCC4)cc3Cl)CC[C@H]2C1 ZINC001164855812 720878385 /nfs/dbraw/zinc/87/83/85/720878385.db2.gz HZCXMLQGXZYRRF-JXFKEZNVSA-N 1 0 436.984 2.581 20 0 IFADRO COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(OC)n1 ZINC001164747311 720880162 /nfs/dbraw/zinc/88/01/62/720880162.db2.gz BDBVAROIAUXURA-GBXCKJPGSA-N 1 0 439.560 2.644 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)nc4sccc43)CC[C@H]2C1 ZINC001164858663 720885620 /nfs/dbraw/zinc/88/56/20/720885620.db2.gz LPVXBRCTSFNJBA-QFBILLFUSA-N 1 0 425.558 2.927 20 0 IFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)c(Cc4ccc(OC)cc4)c(C)n3)CC[C@@H]2C1 ZINC001164862903 720886903 /nfs/dbraw/zinc/88/69/03/720886903.db2.gz SALPFIOENNLKFJ-QPPBQGQZSA-N 1 0 440.588 2.866 20 0 IFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC[C@@H]2C1 ZINC001164862161 720887129 /nfs/dbraw/zinc/88/71/29/720887129.db2.gz QYLMUABJZKZGTG-GDBMZVCRSA-N 1 0 448.898 2.545 20 0 IFADRO O=C1COc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2N1 ZINC001164757490 720888882 /nfs/dbraw/zinc/88/88/82/720888882.db2.gz VEHLUMXLPBHRGZ-NLFFAJNJSA-N 1 0 449.555 2.563 20 0 IFADRO O=C1COc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2N1 ZINC001164758462 720894068 /nfs/dbraw/zinc/89/40/68/720894068.db2.gz YFAUWNSVCZDTLJ-NLFFAJNJSA-N 1 0 449.555 2.563 20 0 IFADRO C[C@@H]1C(=O)Nc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164753903 720894368 /nfs/dbraw/zinc/89/43/68/720894368.db2.gz HUZVUTKSBZLUBU-APJQNUAFSA-N 1 0 448.571 2.682 20 0 IFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)nc1 ZINC001164859387 720896662 /nfs/dbraw/zinc/89/66/62/720896662.db2.gz PIXUXYRXCIOGMS-NRFANRHFSA-N 1 0 433.560 2.840 20 0 IFADRO CNC(=O)c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758499 720897902 /nfs/dbraw/zinc/89/79/02/720897902.db2.gz YRWJFWASGKLTBY-BWKNWUBXSA-N 1 0 435.572 2.591 20 0 IFADRO CCn1cnc2c1ncnc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753641 720912207 /nfs/dbraw/zinc/91/22/07/720912207.db2.gz RUEZXPGVICBIGD-PXDATVDWSA-N 1 0 447.587 2.996 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164749487 720952683 /nfs/dbraw/zinc/95/26/83/720952683.db2.gz GVZUJFSRZJRNIY-UHFFFAOYSA-N 1 0 435.315 2.779 20 0 IFADRO CSc1ccc(C(F)(F)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1Cl ZINC001164750930 720957402 /nfs/dbraw/zinc/95/74/02/720957402.db2.gz MTDXCLFFCXEUGB-UHFFFAOYSA-N 1 0 445.923 2.844 20 0 IFADRO Cc1cccc(Sc2cncc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)n2)c1 ZINC001164749348 720961273 /nfs/dbraw/zinc/96/12/73/720961273.db2.gz CQLMLRMPFSMKIT-UHFFFAOYSA-N 1 0 438.557 2.778 20 0 IFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164753702 720965274 /nfs/dbraw/zinc/96/52/74/720965274.db2.gz IHVHYUIVOKNEGY-UHFFFAOYSA-N 1 0 444.898 2.778 20 0 IFADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164860586 720989278 /nfs/dbraw/zinc/98/92/78/720989278.db2.gz OXDJYPDZLFGDHG-HNNXBMFYSA-N 1 0 425.537 2.763 20 0 IFADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164860589 720991462 /nfs/dbraw/zinc/99/14/62/720991462.db2.gz OXDJYPDZLFGDHG-OAHLLOKOSA-N 1 0 425.537 2.763 20 0 IFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)[C@H]2C ZINC001164861478 720993639 /nfs/dbraw/zinc/99/36/39/720993639.db2.gz PXEMNXJVIHGTNF-LBPRGKRZSA-N 1 0 426.899 2.997 20 0 IFADRO CCN(CC)S(=O)(=O)c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc1 ZINC001164858113 721001851 /nfs/dbraw/zinc/00/18/51/721001851.db2.gz HACSMDJQFZMJOL-QGZVFWFLSA-N 1 0 434.610 2.730 20 0 IFADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)cc2C1 ZINC001164860354 721021563 /nfs/dbraw/zinc/02/15/63/721021563.db2.gz LOZWIKOEWILWSL-IAGOWNOFSA-N 1 0 426.565 2.763 20 0 IFADRO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]12 ZINC001164760939 721022002 /nfs/dbraw/zinc/02/20/02/721022002.db2.gz REHATIIEPLCNBP-ZLNRFVROSA-N 1 0 435.572 2.620 20 0 IFADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCc4ccccn4)[C@H]3C2)nc1)C1CC1 ZINC001164762384 721022351 /nfs/dbraw/zinc/02/23/51/721022351.db2.gz VISAMLYELPSWAV-ZLNRFVROSA-N 1 0 435.572 2.619 20 0 IFADRO Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cn1 ZINC001164762320 721035235 /nfs/dbraw/zinc/03/52/35/721035235.db2.gz HSZMPIGQLUEARM-DNQXCXABSA-N 1 0 442.567 2.867 20 0 IFADRO O=C(NCc1ccccc1)c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868152 721054061 /nfs/dbraw/zinc/05/40/61/721054061.db2.gz NDUCHYMPJHXNIP-GOTSBHOMSA-N 1 0 443.551 2.886 20 0 IFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868891 721059421 /nfs/dbraw/zinc/05/94/21/721059421.db2.gz QXZOAOSXUWISHA-JKSUJKDBSA-N 1 0 438.910 2.616 20 0 IFADRO CC(C)(C)OC(=O)Nc1nccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867966 721071625 /nfs/dbraw/zinc/07/16/25/721071625.db2.gz LLSNDNSQKBAADB-MSOLQXFVSA-N 1 0 426.521 2.698 20 0 IFADRO CCOC(=O)c1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164864502 721088670 /nfs/dbraw/zinc/08/86/70/721088670.db2.gz GCYZVMHBVLRCBZ-UXHICEINSA-N 1 0 433.512 2.681 20 0 IFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865802 721117743 /nfs/dbraw/zinc/11/77/43/721117743.db2.gz PQDXWWCRHGLDQV-DLBZAZTESA-N 1 0 427.940 2.935 20 0 IFADRO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)n1 ZINC001164764184 721123072 /nfs/dbraw/zinc/12/30/72/721123072.db2.gz HHQKPBBKOVOAKC-CABCVRRESA-N 1 0 439.894 2.758 20 0 IFADRO CCOC(Cc1c(Cl)ncnc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1)OCC ZINC001164765635 721134359 /nfs/dbraw/zinc/13/43/59/721134359.db2.gz JUBVMCADSOQTPZ-QZTJIDSGSA-N 1 0 448.999 2.763 20 0 IFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2)C1 ZINC001164880978 721140640 /nfs/dbraw/zinc/14/06/40/721140640.db2.gz YMLSUBKEQVDMNU-WTIAFYNJSA-N 1 0 435.572 2.828 20 0 IFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2)C1 ZINC001164880975 721140783 /nfs/dbraw/zinc/14/07/83/721140783.db2.gz YMLSUBKEQVDMNU-OIBXWCBGSA-N 1 0 435.572 2.828 20 0 IFADRO CC1CCN(C(=O)c2cccnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001164873640 721141924 /nfs/dbraw/zinc/14/19/24/721141924.db2.gz JOQCVPHASQDRCA-FGZHOGPDSA-N 1 0 435.572 2.828 20 0 IFADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762777 721148783 /nfs/dbraw/zinc/14/87/83/721148783.db2.gz DOUFTELZKDTXOQ-UONOGXRCSA-N 1 0 439.347 2.652 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C[C@@H]3C2)cn1 ZINC001164768132 721150987 /nfs/dbraw/zinc/15/09/87/721150987.db2.gz NJDBSSYTDQALLB-IRXDYDNUSA-N 1 0 430.984 2.955 20 0 IFADRO COC(=O)c1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2ccccc2c1OC ZINC001164875398 721167330 /nfs/dbraw/zinc/16/73/30/721167330.db2.gz LHZSCPHIRPXKGG-OALUTQOASA-N 1 0 448.523 2.905 20 0 IFADRO Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164878444 721174096 /nfs/dbraw/zinc/17/40/96/721174096.db2.gz QDTJEJVKPURURF-FCHUYYIVSA-N 1 0 444.539 2.912 20 0 IFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc5c(Cl)ncnc5c4)C[C@@H]3C2)cn1 ZINC001164767807 721181482 /nfs/dbraw/zinc/18/14/82/721181482.db2.gz KPSWLRSICKZFDP-GJZGRUSLSA-N 1 0 433.894 2.915 20 0 IFADRO COc1ccc(OC)c(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)c1 ZINC001164765758 721217084 /nfs/dbraw/zinc/21/70/84/721217084.db2.gz IFOJMDFGJJXDBA-RBUKOAKNSA-N 1 0 434.544 2.853 20 0 IFADRO Cc1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164760704 721228413 /nfs/dbraw/zinc/22/84/13/721228413.db2.gz GENLFGBQXZRTMP-RTWAWAEBSA-N 1 0 431.544 2.729 20 0 IFADRO Cc1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164760703 721228436 /nfs/dbraw/zinc/22/84/36/721228436.db2.gz GENLFGBQXZRTMP-NHCUHLMSSA-N 1 0 431.544 2.729 20 0 IFADRO C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)CCC[C@@H](CNC(=O)c3ccccc3)O4)n2)CC1 ZINC001164877413 721257630 /nfs/dbraw/zinc/25/76/30/721257630.db2.gz RJBCJZJVHHTFRR-BKMJKUGQSA-N 1 0 449.599 2.781 20 0 IFADRO Cc1ccc(F)c2cc(C)c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc12 ZINC001164875646 721279461 /nfs/dbraw/zinc/27/94/61/721279461.db2.gz YJYWUSCDCVRZFN-UHFFFAOYSA-N 1 0 428.552 2.998 20 0 IFADRO Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164875452 721279664 /nfs/dbraw/zinc/27/96/64/721279664.db2.gz WFQXFJSDODDTIF-UHFFFAOYSA-N 1 0 430.927 2.595 20 0 IFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cccc(OCc4ccccc4)n3)CC2)C1 ZINC001164875472 721280029 /nfs/dbraw/zinc/28/00/29/721280029.db2.gz WIZXTTNYYXUQJU-UHFFFAOYSA-N 1 0 438.572 2.668 20 0 IFADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@@]1(F)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164771209 721296460 /nfs/dbraw/zinc/29/64/60/721296460.db2.gz YPAIYIJTKNIIND-JOCHJYFZSA-N 1 0 448.974 2.915 20 0 IFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)C2)C1 ZINC001164776442 721352347 /nfs/dbraw/zinc/35/23/47/721352347.db2.gz BKEFABOHBGCXLX-QFIPXVFZSA-N 1 0 445.951 2.953 20 0 IFADRO COc1cnc2c(c1)ncnc2N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782921 721362960 /nfs/dbraw/zinc/36/29/60/721362960.db2.gz NIENCCZJAPBZHJ-HSZRJFAPSA-N 1 0 438.532 2.757 20 0 IFADRO CCCNC(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164781600 721367541 /nfs/dbraw/zinc/36/75/41/721367541.db2.gz KATWJHUYTMTGMT-XMMPIXPASA-N 1 0 441.576 2.945 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nnc(Cl)cc4-c4ccncc4)C3)O2)CC1 ZINC001164894081 721389741 /nfs/dbraw/zinc/38/97/41/721389741.db2.gz XHJUQTROZURUFM-XXBNENTESA-N 1 0 442.995 2.957 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(NC(=O)OC(C)(C)C)ncn4)C3)O2)CC1 ZINC001164892180 721392692 /nfs/dbraw/zinc/39/26/92/721392692.db2.gz SANBXFVMUMYGTP-FDDCHVKYSA-N 1 0 446.596 2.589 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164887405 721399758 /nfs/dbraw/zinc/39/97/58/721399758.db2.gz HZQLNQCNKFPMEN-HKUYNNGSSA-N 1 0 430.927 2.925 20 0 IFADRO Cc1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(Cl)n1 ZINC001164884059 721401493 /nfs/dbraw/zinc/40/14/93/721401493.db2.gz DAGBCIQEDHDGIV-APWZRJJASA-N 1 0 429.943 2.749 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)COc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164887774 721408680 /nfs/dbraw/zinc/40/86/80/721408680.db2.gz NKLFTNMLCVGWDC-QUCCMNQESA-N 1 0 444.954 2.968 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(N)cc(Cl)n4)C3)O2)CC1 ZINC001164886540 721418829 /nfs/dbraw/zinc/41/88/29/721418829.db2.gz JRCFLDCGWOQAJU-APWZRJJASA-N 1 0 429.943 2.628 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(N)cc(Cl)n4)C3)O2)CC1 ZINC001164886541 721419058 /nfs/dbraw/zinc/41/90/58/721419058.db2.gz JRCFLDCGWOQAJU-LPHOPBHVSA-N 1 0 429.943 2.628 20 0 IFADRO CCc1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)[nH]1 ZINC001164895852 721429193 /nfs/dbraw/zinc/42/91/93/721429193.db2.gz QHUWAYPOBOWMQB-HTAPYJJXSA-N 1 0 433.000 2.939 20 0 IFADRO CCc1cc2c(nc(Cl)nc2N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)[nH]1 ZINC001164895853 721429525 /nfs/dbraw/zinc/42/95/25/721429525.db2.gz QHUWAYPOBOWMQB-JTSKRJEESA-N 1 0 433.000 2.939 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(N)c4)C3)O2)CC1 ZINC001164897415 721430800 /nfs/dbraw/zinc/43/08/00/721430800.db2.gz UAABQTWSNRZQHJ-LPHOPBHVSA-N 1 0 429.943 2.628 20 0 IFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5sc6c(c54)CCC6)C3)O2)CC1 ZINC001164890742 721433087 /nfs/dbraw/zinc/43/30/87/721433087.db2.gz DSSQQSKHLBHDHL-SBUREZEXSA-N 1 0 427.618 2.945 20 0 IFADRO COc1ccccc1-c1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164898755 721434890 /nfs/dbraw/zinc/43/48/90/721434890.db2.gz WWIZNPMOZIIAEB-CPJSRVTESA-N 1 0 437.588 2.918 20 0 IFADRO COc1ccc2nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c(C)nc2c1 ZINC001164894871 721439752 /nfs/dbraw/zinc/43/97/52/721439752.db2.gz MUTMOGXBWDAREY-HYBUGGRVSA-N 1 0 425.577 2.712 20 0 IFADRO Cc1nc(-c2ccccn2)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164893697 721441978 /nfs/dbraw/zinc/44/19/78/721441978.db2.gz JZNZIVSJJHGHIF-OFVILXPXSA-N 1 0 436.604 2.921 20 0 IFADRO Cc1nc(-c2ccccn2)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164893700 721442045 /nfs/dbraw/zinc/44/20/45/721442045.db2.gz JZNZIVSJJHGHIF-PXDATVDWSA-N 1 0 436.604 2.921 20 0 IFADRO COC(=O)c1cccc2nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)ccc21 ZINC001164891492 721442980 /nfs/dbraw/zinc/44/29/80/721442980.db2.gz GRJLDCWFWYSORQ-DFBJGRDBSA-N 1 0 438.572 2.787 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(-c5ccncc5)n4)C3)O2)CC1 ZINC001164884931 721448160 /nfs/dbraw/zinc/44/81/60/721448160.db2.gz CUWQQLXBEIVKNR-AUSIDOKSSA-N 1 0 442.995 2.957 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3nc[nH]c31)CC2 ZINC001164785286 721450376 /nfs/dbraw/zinc/45/03/76/721450376.db2.gz IETFQKUZDIDATJ-MRXNPFEDSA-N 1 0 434.972 2.740 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(Cl)c(C(N)=O)n1)CC2 ZINC001164784306 721451847 /nfs/dbraw/zinc/45/18/47/721451847.db2.gz DSDMXMVSQFTKSL-KRWDZBQOSA-N 1 0 436.984 2.568 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)ccc1C(=O)OC)CC2 ZINC001164784466 721452136 /nfs/dbraw/zinc/45/21/36/721452136.db2.gz FLINYKAVJYCYFS-FQEVSTJZSA-N 1 0 431.577 2.911 20 0 IFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(C(N)=S)c5ccsc54)C3)O2)CC1 ZINC001164892739 721452990 /nfs/dbraw/zinc/45/29/90/721452990.db2.gz XSSRSWCGXLRNLQ-OPAMFIHVSA-N 1 0 445.658 2.696 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(OC)cc1C(=O)OC)CC2 ZINC001164784034 721455801 /nfs/dbraw/zinc/45/58/01/721455801.db2.gz DIIIMPLMCUIXDP-IBGZPJMESA-N 1 0 447.576 2.611 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1ncn3C)CC2 ZINC001164790366 721457383 /nfs/dbraw/zinc/45/73/83/721457383.db2.gz YOTAQDLMMULZAT-KRWDZBQOSA-N 1 0 448.999 2.751 20 0 IFADRO CCOC(=O)Cc1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164785479 721460010 /nfs/dbraw/zinc/46/00/10/721460010.db2.gz LMEZATHSSTVOPG-QFIPXVFZSA-N 1 0 445.604 2.921 20 0 IFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1[C@H](C)CC(=O)N3)CC2 ZINC001164782382 721460304 /nfs/dbraw/zinc/46/03/04/721460304.db2.gz ALZPMGHRMBHSDE-MJGOQNOKSA-N 1 0 443.592 2.656 20 0 IFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(OC(F)F)cn1)CC2 ZINC001164787882 721462299 /nfs/dbraw/zinc/46/22/99/721462299.db2.gz SSVIQRRUTANVQW-QGZVFWFLSA-N 1 0 426.508 2.812 20 0 IFADRO CCOC(=O)Cc1ccnc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1 ZINC001164791815 721473329 /nfs/dbraw/zinc/47/33/29/721473329.db2.gz ZQBUDSCJECJYLH-QFIPXVFZSA-N 1 0 445.604 2.921 20 0 IFADRO O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164900242 721490251 /nfs/dbraw/zinc/49/02/51/721490251.db2.gz NSKPHBCIBLZFDA-IBGZPJMESA-N 1 0 428.577 2.600 20 0 IFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164792903 721492655 /nfs/dbraw/zinc/49/26/55/721492655.db2.gz NMNQSKGFJNJKDS-UHFFFAOYSA-N 1 0 443.983 2.638 20 0 IFADRO NC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164897945 721512550 /nfs/dbraw/zinc/51/25/50/721512550.db2.gz GYUIPIKVBGFLNS-HIFRSBDPSA-N 1 0 440.853 2.860 20 0 IFADRO CSc1cnc(Cl)c(C(F)(F)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1 ZINC001164797272 721517860 /nfs/dbraw/zinc/51/78/60/721517860.db2.gz JGXUYMPXDRRJCH-UHFFFAOYSA-N 1 0 442.967 2.966 20 0 IFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4ccccc4nc2N2CCCCC2)CC3)CC1 ZINC001164798464 721518230 /nfs/dbraw/zinc/51/82/30/721518230.db2.gz UUMAOYKRQBUWCC-UHFFFAOYSA-N 1 0 446.603 2.584 20 0 IFADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)cc-2n1 ZINC001164912390 721532130 /nfs/dbraw/zinc/53/21/30/721532130.db2.gz ZMLAPZJYDHXVIO-WBVHZDCISA-N 1 0 440.475 2.839 20 0 IFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH]1 ZINC001164908805 721542608 /nfs/dbraw/zinc/54/26/08/721542608.db2.gz QQKFEIWJMMRONU-UKRRQHHQSA-N 1 0 445.882 2.879 20 0 IFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164903136 721553500 /nfs/dbraw/zinc/55/35/00/721553500.db2.gz AYLYHHQYPCGOTG-AZUAARDMSA-N 1 0 448.564 2.593 20 0 IFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)CC[N@@H+]3C2)c1 ZINC001164904310 721554375 /nfs/dbraw/zinc/55/43/75/721554375.db2.gz DWIOGUUXVKSLLR-GXTWGEPZSA-N 1 0 438.841 2.984 20 0 IFADRO O=C(NC1CCCC1)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164909951 721559518 /nfs/dbraw/zinc/55/95/18/721559518.db2.gz VULWGUUPSIBYLR-UYAOXDASSA-N 1 0 425.508 2.630 20 0 IFADRO CCCNC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909257 721567857 /nfs/dbraw/zinc/56/78/57/721567857.db2.gz UBVWPOUNGXALSD-RDJZCZTQSA-N 1 0 433.915 2.751 20 0 IFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(Cn3ccccc3=O)cn2)[C@@H]2CCCO[C@H]12 ZINC001164803419 721580980 /nfs/dbraw/zinc/58/09/80/721580980.db2.gz IAWITGCJPFAJLN-RQTOMXEWSA-N 1 0 431.540 2.555 20 0 IFADRO CC1(C)C(=O)Nc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164904892 721720196 /nfs/dbraw/zinc/72/01/96/721720196.db2.gz FHHZOLYQYNVPFY-OAQYLSRUSA-N 1 0 428.487 2.839 20 0 IFADRO NC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(C2CC2)n1 ZINC001164909076 721738421 /nfs/dbraw/zinc/73/84/21/721738421.db2.gz AVFUOZWTZJAMCA-NRFANRHFSA-N 1 0 428.487 2.586 20 0 IFADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1 ZINC001165011904 721739453 /nfs/dbraw/zinc/73/94/53/721739453.db2.gz WWLQDPQFFUZLAC-UHFFFAOYSA-N 1 0 436.000 2.740 20 0 IFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc(Oc3ccc(F)cc3)n2)CC1 ZINC001165009571 721740381 /nfs/dbraw/zinc/74/03/81/721740381.db2.gz GBSBUAOIBRSYEO-UHFFFAOYSA-N 1 0 448.930 2.979 20 0 IFADRO COC(=O)C[C@@H](c1ccnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1)C1CC1 ZINC001165011426 721744583 /nfs/dbraw/zinc/74/45/83/721744583.db2.gz XEKFLLROAFGKFI-HXUWFJFHSA-N 1 0 428.577 2.661 20 0 IFADRO CCOC(=O)c1nnc(SC)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022080 721806775 /nfs/dbraw/zinc/80/67/75/721806775.db2.gz HRWCLOQJBJFHMX-JQHSSLGASA-N 1 0 442.589 2.902 20 0 IFADRO CCOC(=O)c1nnc(SC)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022079 721806891 /nfs/dbraw/zinc/80/68/91/721806891.db2.gz HRWCLOQJBJFHMX-CGTJXYLNSA-N 1 0 442.589 2.902 20 0 IFADRO CCOC(=O)c1nnc(SC)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022081 721807004 /nfs/dbraw/zinc/80/70/04/721807004.db2.gz HRWCLOQJBJFHMX-RYQLBKOJSA-N 1 0 442.589 2.902 20 0 IFADRO CCNS(=O)(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020802 721817694 /nfs/dbraw/zinc/81/76/94/721817694.db2.gz DDIQTMUDOQVZDD-DFQSSKMNSA-N 1 0 429.590 2.512 20 0 IFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(CN4C(=O)CCC4=O)cn3)C[C@@H]21 ZINC001165018790 721817912 /nfs/dbraw/zinc/81/79/12/721817912.db2.gz AEVDNMDCMGWWJY-ILWGZMRPSA-N 1 0 433.556 2.863 20 0 IFADRO COC(OC)c1c(CO)ccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025247 721819840 /nfs/dbraw/zinc/81/98/40/721819840.db2.gz MBELFSBULVGQSI-WMQCIHAUSA-N 1 0 426.561 2.997 20 0 IFADRO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164922777 721836296 /nfs/dbraw/zinc/83/62/96/721836296.db2.gz INFMXDBNFGNNFT-GBXCKJPGSA-N 1 0 438.576 2.611 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(CCOC)CCO[C@H]3C2)nc1 ZINC001164923267 721844847 /nfs/dbraw/zinc/84/48/47/721844847.db2.gz UQVKUSNMBHSNDZ-BDTNDASRSA-N 1 0 430.593 2.719 20 0 IFADRO Fc1cnc(N2CCOC[C@@]3(CCCN(c4ncccc4C[NH+]4CCCC4)C3)C2)nc1 ZINC001164923736 721846613 /nfs/dbraw/zinc/84/66/13/721846613.db2.gz VNJNTVHJCQYIST-HSZRJFAPSA-N 1 0 426.540 2.730 20 0 IFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncccc1C(=O)NCCSCc1ccco1 ZINC001164923175 721870493 /nfs/dbraw/zinc/87/04/93/721870493.db2.gz JAQTZGMQMJPDSP-LEWJYISDSA-N 1 0 443.617 2.552 20 0 IFADRO COc1cc2c[nH+]c(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)cc2cc1OC ZINC001164936055 721908453 /nfs/dbraw/zinc/90/84/53/721908453.db2.gz ULJGQWYNRFQRPS-UHFFFAOYSA-N 1 0 437.544 2.857 20 0 IFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCN(S(=O)(=O)N(C)C)C[C@H]3C2)nc1 ZINC001164954762 721990033 /nfs/dbraw/zinc/99/00/33/721990033.db2.gz WSHJWMCVPBXARY-PWRODBHTSA-N 1 0 435.638 2.583 20 0 IFADRO Cc1cc(CN(C)c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)n(C)n1 ZINC001165051105 721990229 /nfs/dbraw/zinc/99/02/29/721990229.db2.gz NYOGBJAACFBOCF-QGZVFWFLSA-N 1 0 428.581 2.559 20 0 IFADRO CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CCO2 ZINC001164969558 722084389 /nfs/dbraw/zinc/08/43/89/722084389.db2.gz PYEHPURHFVYPKE-FQEVSTJZSA-N 1 0 440.922 2.874 20 0 IFADRO c1cnn(Cc2nnc3n2CCCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)C3)c1 ZINC001164971756 722088889 /nfs/dbraw/zinc/08/88/89/722088889.db2.gz BVGQPSXVOKOKQK-UHFFFAOYSA-N 1 0 440.555 2.887 20 0 IFADRO CS(=O)(=O)N1C[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2c2ccccc21 ZINC001164973989 722090371 /nfs/dbraw/zinc/09/03/71/722090371.db2.gz LXRGHEVPWQNQML-AZUAARDMSA-N 1 0 442.585 2.556 20 0 IFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@@H]3OCCC[C@H]32)nc1 ZINC001164979504 722093790 /nfs/dbraw/zinc/09/37/90/722093790.db2.gz KMJBLKSJSWBATO-HIUFNZKISA-N 1 0 438.576 2.528 20 0 IFADRO COc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164983955 722105550 /nfs/dbraw/zinc/10/55/50/722105550.db2.gz RJSKKACLVPEZTE-WZONZLPQSA-N 1 0 435.528 2.769 20 0 IFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2[nH]1 ZINC001164976380 722111029 /nfs/dbraw/zinc/11/10/29/722111029.db2.gz LMJLLJNMSUPMNE-CTNGQTDRSA-N 1 0 435.528 2.862 20 0 IFADRO COC(=O)c1cc2ccncc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973879 722123433 /nfs/dbraw/zinc/12/34/33/722123433.db2.gz HUHQBWXELMCMPS-DENIHFKCSA-N 1 0 433.512 2.539 20 0 IFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978170 722125746 /nfs/dbraw/zinc/12/57/46/722125746.db2.gz NRMVHQVUCZDTFH-QUCCMNQESA-N 1 0 425.533 2.554 20 0 IFADRO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1OC ZINC001164974238 722135855 /nfs/dbraw/zinc/13/58/55/722135855.db2.gz CQVFWYWGAGHQAM-AEFFLSMTSA-N 1 0 446.935 2.653 20 0 IFADRO c1nc2c(ncnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1-c1ccccc1 ZINC001164979691 722150994 /nfs/dbraw/zinc/15/09/94/722150994.db2.gz LTCJWWPSUVDZQV-RBBKRZOGSA-N 1 0 441.539 2.938 20 0 IFADRO COC(=O)c1cc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164977860 722154030 /nfs/dbraw/zinc/15/40/30/722154030.db2.gz YXJUXSACJWAZOM-XLIONFOSSA-N 1 0 430.936 2.952 20 0 IFADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(N4CCOCC4)nc4c2CCN4)C3)c1 ZINC001164993691 722196580 /nfs/dbraw/zinc/19/65/80/722196580.db2.gz HSTTTZBVVWTWCO-DEOSSOPVSA-N 1 0 438.551 2.665 20 0 IFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(-c3ccncc3)nc3c1CCC3)CCC2 ZINC001165004036 722257369 /nfs/dbraw/zinc/25/73/69/722257369.db2.gz LWBJMFIHVMNRKT-UHFFFAOYSA-N 1 0 433.560 2.712 20 0 IFADRO