smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc[nH+]1 ZINC001164840153 720573610 /nfs/dbraw/zinc/57/36/10/720573610.db2.gz RWQOEUGKWYDCSI-YPAWHYETSA-N 2 2 425.625 3.677 20 0 IHADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc[nH+]1 ZINC001164840153 720573615 /nfs/dbraw/zinc/57/36/15/720573615.db2.gz RWQOEUGKWYDCSI-YPAWHYETSA-N 2 2 425.625 3.677 20 0 IHADLP Cc1[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164753969 720892037 /nfs/dbraw/zinc/89/20/37/720892037.db2.gz HZZNKGIJWKYTHQ-ATIYNZHBSA-N 2 2 446.599 3.725 20 0 IHADLP Cc1[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164753969 720892040 /nfs/dbraw/zinc/89/20/40/720892040.db2.gz HZZNKGIJWKYTHQ-ATIYNZHBSA-N 2 2 446.599 3.725 20 0 IHADLP c1[nH+]cn2c1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C[C@@H](COCC1CC1)C2 ZINC001164756027 720976120 /nfs/dbraw/zinc/97/61/20/720976120.db2.gz DEKCPXNIRYSLBI-HSZRJFAPSA-N 2 2 443.595 3.899 20 0 IHADLP c1[nH+]cn2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C[C@@H](COCC1CC1)C2 ZINC001164756027 720976121 /nfs/dbraw/zinc/97/61/21/720976121.db2.gz DEKCPXNIRYSLBI-HSZRJFAPSA-N 2 2 443.595 3.899 20 0 IHADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4[nH+]c(N5CCCC5)cc5ccccc54)C3)O2)CC1 ZINC001164899905 721438782 /nfs/dbraw/zinc/43/87/82/721438782.db2.gz ZNNZVXPLBAUHJS-WNCULLNHSA-N 2 2 449.643 3.600 20 0 IHADLP COc1cc2c[nH+]c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc2cc1OC ZINC001164804090 721582275 /nfs/dbraw/zinc/58/22/75/721582275.db2.gz IHJJXQCRMCOZFI-CZSZKKDXSA-N 2 2 434.540 3.515 20 0 IHADLP COc1cc2c[nH+]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc2cc1OC ZINC001164804090 721582279 /nfs/dbraw/zinc/58/22/79/721582279.db2.gz IHJJXQCRMCOZFI-CZSZKKDXSA-N 2 2 434.540 3.515 20 0 IHADLP COc1cc2c[nH+]c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc2cc1OC ZINC001164804092 721582386 /nfs/dbraw/zinc/58/23/86/721582386.db2.gz IHJJXQCRMCOZFI-TYBLODHISA-N 2 2 434.540 3.515 20 0 IHADLP COc1cc2c[nH+]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc2cc1OC ZINC001164804092 721582388 /nfs/dbraw/zinc/58/23/88/721582388.db2.gz IHJJXQCRMCOZFI-TYBLODHISA-N 2 2 434.540 3.515 20 0 IHADLP CCOC(=O)c1cc2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2[nH]1 ZINC001165019896 721809246 /nfs/dbraw/zinc/80/92/46/721809246.db2.gz CBGIPHLMENGPNV-VCOUNFBDSA-N 2 2 433.556 3.872 20 0 IHADLP CCOC(=O)c1cc2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2[nH]1 ZINC001165019896 721809248 /nfs/dbraw/zinc/80/92/48/721809248.db2.gz CBGIPHLMENGPNV-VCOUNFBDSA-N 2 2 433.556 3.872 20 0 IHADLP FC(F)(F)[C@@H]1N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CCC12CC[NH2+]CC2 ZINC001164388939 718814221 /nfs/dbraw/zinc/81/42/21/718814221.db2.gz RQMSNSOOKCEADN-OAQYLSRUSA-N 2 2 431.506 3.546 20 0 IHADLP FC(F)(F)[C@@H]1N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CCC12CC[NH2+]CC2 ZINC001164388939 718814225 /nfs/dbraw/zinc/81/42/25/718814225.db2.gz RQMSNSOOKCEADN-OAQYLSRUSA-N 2 2 431.506 3.546 20 0 IHADLP Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C2CCCCC2)[nH+]1 ZINC001164829857 720334588 /nfs/dbraw/zinc/33/45/88/720334588.db2.gz OIGFSWKAZZOHGS-GOTSBHOMSA-N 2 2 425.621 3.744 20 0 IHADLP C[C@H]1CCCN(c2cc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)[nH+]cn2)C1 ZINC001164838285 720720608 /nfs/dbraw/zinc/72/06/08/720720608.db2.gz HTTDXJXMSIRJFP-GMAHTHKFSA-N 2 2 435.616 3.973 20 0 IHADLP C[C@H]1CCCN(c2cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH+]cn2)C1 ZINC001164838285 720720626 /nfs/dbraw/zinc/72/06/26/720720626.db2.gz HTTDXJXMSIRJFP-GMAHTHKFSA-N 2 2 435.616 3.973 20 0 IHADLP C[C@H]1CCCN(c2cc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc[nH+]2)C1 ZINC001164838285 720720635 /nfs/dbraw/zinc/72/06/35/720720635.db2.gz HTTDXJXMSIRJFP-GMAHTHKFSA-N 2 2 435.616 3.973 20 0 IHADLP C[C@H]1CCCN(c2cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc[nH+]2)C1 ZINC001164838285 720720645 /nfs/dbraw/zinc/72/06/45/720720645.db2.gz HTTDXJXMSIRJFP-GMAHTHKFSA-N 2 2 435.616 3.973 20 0 IHADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738129 720829070 /nfs/dbraw/zinc/82/90/70/720829070.db2.gz DSPFUXLMLXYHBB-YOSAUDMPSA-N 2 2 432.572 3.523 20 0 IHADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738129 720829071 /nfs/dbraw/zinc/82/90/71/720829071.db2.gz DSPFUXLMLXYHBB-YOSAUDMPSA-N 2 2 432.572 3.523 20 0 IHADLP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749064 720867577 /nfs/dbraw/zinc/86/75/77/720867577.db2.gz GRACWHPBOKLLLQ-ATIYNZHBSA-N 2 2 448.615 3.509 20 0 IHADLP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749064 720867581 /nfs/dbraw/zinc/86/75/81/720867581.db2.gz GRACWHPBOKLLLQ-ATIYNZHBSA-N 2 2 448.615 3.509 20 0 IHADLP COc1cc2cc[nH+]c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2cc1OC ZINC001164809926 721558539 /nfs/dbraw/zinc/55/85/39/721558539.db2.gz YHGIEGKZXKFDJO-DPLHUUCSSA-N 2 2 434.540 3.515 20 0 IHADLP COc1cc2cc[nH+]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2cc1OC ZINC001164809926 721558543 /nfs/dbraw/zinc/55/85/43/721558543.db2.gz YHGIEGKZXKFDJO-DPLHUUCSSA-N 2 2 434.540 3.515 20 0 IHADLP FC1(F)CCN(c2nc(N3CCCCC3)cc[nH+]2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906504 721714216 /nfs/dbraw/zinc/71/42/16/721714216.db2.gz MLKWSWVHVGDKHX-QFIPXVFZSA-N 2 2 428.531 3.600 20 0 IHADLP FC1(F)CCN(c2nc(N3CCCCC3)cc[nH+]2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906504 721714222 /nfs/dbraw/zinc/71/42/22/721714222.db2.gz MLKWSWVHVGDKHX-QFIPXVFZSA-N 2 2 428.531 3.600 20 0 IHADLP FC1(F)CCN(c2nc(N3CCCCC3)cc[nH+]2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906502 721714907 /nfs/dbraw/zinc/71/49/07/721714907.db2.gz MLKWSWVHVGDKHX-JOCHJYFZSA-N 2 2 428.531 3.600 20 0 IHADLP FC1(F)CCN(c2nc(N3CCCCC3)cc[nH+]2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906502 721714917 /nfs/dbraw/zinc/71/49/17/721714917.db2.gz MLKWSWVHVGDKHX-JOCHJYFZSA-N 2 2 428.531 3.600 20 0 IHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1C ZINC001165038719 721918144 /nfs/dbraw/zinc/91/81/44/721918144.db2.gz PHLXRJJAZUWEEN-IBGZPJMESA-N 2 2 429.634 3.595 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939672 721929552 /nfs/dbraw/zinc/92/95/52/721929552.db2.gz NYKVYHRZISAQDE-HJWRWDBZSA-N 2 2 435.568 3.756 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939672 721929555 /nfs/dbraw/zinc/92/95/55/721929555.db2.gz NYKVYHRZISAQDE-HJWRWDBZSA-N 2 2 435.568 3.756 20 0 IHADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001164743085 720843610 /nfs/dbraw/zinc/84/36/10/720843610.db2.gz ILXYKQZDBMDIKP-WPFOTENUSA-N 2 2 435.620 3.804 20 0 IHADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001164743085 720843612 /nfs/dbraw/zinc/84/36/12/720843612.db2.gz ILXYKQZDBMDIKP-WPFOTENUSA-N 2 2 435.620 3.804 20 0 IHADLP CCOC(=O)c1cc2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2[nH]1 ZINC001165019890 721809118 /nfs/dbraw/zinc/80/91/18/721809118.db2.gz CBGIPHLMENGPNV-DWLFOUALSA-N 2 2 433.556 3.872 20 0 IHADLP CCOC(=O)c1cc2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2[nH]1 ZINC001165019890 721809119 /nfs/dbraw/zinc/80/91/19/721809119.db2.gz CBGIPHLMENGPNV-DWLFOUALSA-N 2 2 433.556 3.872 20 0 IHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001165021251 721842204 /nfs/dbraw/zinc/84/22/04/721842204.db2.gz JJDDPGGJLNKHHK-UHFFFAOYSA-N 2 2 425.577 3.585 20 0 IHADLP O=S(=O)(c1ccccc1)n1ccc2c[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)nc21 ZINC001165049789 721974563 /nfs/dbraw/zinc/97/45/63/721974563.db2.gz RHUFNBWDFXMCOM-FQEVSTJZSA-N 2 2 439.585 3.513 20 0 IHADLP COc1cc2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2cc1F ZINC001164964673 722061797 /nfs/dbraw/zinc/06/17/97/722061797.db2.gz HSTLCCNUPNBPOQ-UHFFFAOYSA-N 2 2 436.531 3.897 20 0 IHADLP COc1cc2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2cc1F ZINC001164964673 722061799 /nfs/dbraw/zinc/06/17/99/722061799.db2.gz HSTLCCNUPNBPOQ-UHFFFAOYSA-N 2 2 436.531 3.897 20 0 IHADLP COc1cc(Oc2cc[nH+]c(N3CCN4CC[NH2+]C[C@H]4C3)c2)ccc1OCc1ccccc1 ZINC001164402227 718837507 /nfs/dbraw/zinc/83/75/07/718837507.db2.gz DGLGJUFUYFDCED-NRFANRHFSA-N 2 2 446.551 3.555 20 0 IHADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c2c1C ZINC001164637179 719237739 /nfs/dbraw/zinc/23/77/39/719237739.db2.gz UMISKNYKRVDHMJ-HZPDHXFCSA-N 2 2 445.633 3.691 20 0 IHADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2c1C ZINC001164637179 719237744 /nfs/dbraw/zinc/23/77/44/719237744.db2.gz UMISKNYKRVDHMJ-HZPDHXFCSA-N 2 2 445.633 3.691 20 0 IHADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844174 720638724 /nfs/dbraw/zinc/63/87/24/720638724.db2.gz ZOPDEUCNJBOMJN-SFYKDHMMSA-N 2 2 435.572 3.826 20 0 IHADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844174 720638732 /nfs/dbraw/zinc/63/87/32/720638732.db2.gz ZOPDEUCNJBOMJN-SFYKDHMMSA-N 2 2 435.572 3.826 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840272 720704862 /nfs/dbraw/zinc/70/48/62/720704862.db2.gz OJYLJFSOLDCRMR-DJYGDJEFSA-N 2 2 435.568 3.836 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840272 720704868 /nfs/dbraw/zinc/70/48/68/720704868.db2.gz OJYLJFSOLDCRMR-DJYGDJEFSA-N 2 2 435.568 3.836 20 0 IHADLP Cc1[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164753978 720891668 /nfs/dbraw/zinc/89/16/68/720891668.db2.gz HZZNKGIJWKYTHQ-BKMJKUGQSA-N 2 2 446.599 3.725 20 0 IHADLP Cc1[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164753978 720891670 /nfs/dbraw/zinc/89/16/70/720891670.db2.gz HZZNKGIJWKYTHQ-BKMJKUGQSA-N 2 2 446.599 3.725 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904358 721717508 /nfs/dbraw/zinc/71/75/08/721717508.db2.gz CGNDNICNAYLQRP-BMOUEYTDSA-N 2 2 442.510 3.709 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904358 721717519 /nfs/dbraw/zinc/71/75/19/721717519.db2.gz CGNDNICNAYLQRP-BMOUEYTDSA-N 2 2 442.510 3.709 20 0 IHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCC[C@H](C)C5)[nH+]cn4)CC3)C2)cc1 ZINC001164938631 721932720 /nfs/dbraw/zinc/93/27/20/721932720.db2.gz BYGQAYDHOFICCC-QFIPXVFZSA-N 2 2 435.616 3.893 20 0 IHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCC[C@H](C)C5)[nH+]cn4)CC3)C2)cc1 ZINC001164938631 721932721 /nfs/dbraw/zinc/93/27/21/721932721.db2.gz BYGQAYDHOFICCC-QFIPXVFZSA-N 2 2 435.616 3.893 20 0 IHADLP C[N@H+](Cc1ccc(N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc1)C1CC1 ZINC001164416308 718891263 /nfs/dbraw/zinc/89/12/63/718891263.db2.gz DFZPFDULDJBAPB-SFHVURJKSA-N 2 2 442.361 3.664 20 0 IHADLP C[N@@H+](Cc1ccc(N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc1)C1CC1 ZINC001164416308 718891264 /nfs/dbraw/zinc/89/12/64/718891264.db2.gz DFZPFDULDJBAPB-SFHVURJKSA-N 2 2 442.361 3.664 20 0 IHADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2c1C ZINC001164637166 719237212 /nfs/dbraw/zinc/23/72/12/719237212.db2.gz UMISKNYKRVDHMJ-CVEARBPZSA-N 2 2 445.633 3.691 20 0 IHADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2c1C ZINC001164637166 719237214 /nfs/dbraw/zinc/23/72/14/719237214.db2.gz UMISKNYKRVDHMJ-CVEARBPZSA-N 2 2 445.633 3.691 20 0 IHADLP CC(C)(C)N(c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164736209 720543983 /nfs/dbraw/zinc/54/39/83/720543983.db2.gz VYVIDRLZJQHVIT-NRFANRHFSA-N 2 2 435.616 3.551 20 0 IHADLP CC(C)(C)N(c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001164736209 720543991 /nfs/dbraw/zinc/54/39/91/720543991.db2.gz VYVIDRLZJQHVIT-NRFANRHFSA-N 2 2 435.616 3.551 20 0 IHADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001164743073 720843971 /nfs/dbraw/zinc/84/39/71/720843971.db2.gz ILXYKQZDBMDIKP-AOHZBQACSA-N 2 2 435.620 3.804 20 0 IHADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001164743073 720843972 /nfs/dbraw/zinc/84/39/72/720843972.db2.gz ILXYKQZDBMDIKP-AOHZBQACSA-N 2 2 435.620 3.804 20 0 IHADLP COc1ccc2c[nH+]c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc2c1 ZINC001164781653 721361017 /nfs/dbraw/zinc/36/10/17/721361017.db2.gz KIFBYWUKAGOSOK-VWLOTQADSA-N 2 2 436.556 3.967 20 0 IHADLP COc1ccc2c[nH+]c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc2c1 ZINC001164781653 721361018 /nfs/dbraw/zinc/36/10/18/721361018.db2.gz KIFBYWUKAGOSOK-VWLOTQADSA-N 2 2 436.556 3.967 20 0 IHADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)CC2 ZINC001164790029 721471684 /nfs/dbraw/zinc/47/16/84/721471684.db2.gz QAVYVTBWOOKJAA-HXUWFJFHSA-N 2 2 438.616 3.786 20 0 IHADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)CC2 ZINC001164790029 721471686 /nfs/dbraw/zinc/47/16/86/721471686.db2.gz QAVYVTBWOOKJAA-HXUWFJFHSA-N 2 2 438.616 3.786 20 0 IHADLP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1N1CCCC1 ZINC001164905959 721582906 /nfs/dbraw/zinc/58/29/06/721582906.db2.gz YDNUZVDRAVPMCX-JOCHJYFZSA-N 2 2 428.531 3.518 20 0 IHADLP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1N1CCCC1 ZINC001164905959 721582909 /nfs/dbraw/zinc/58/29/09/721582909.db2.gz YDNUZVDRAVPMCX-JOCHJYFZSA-N 2 2 428.531 3.518 20 0 IHADLP c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CCOCC45C[NH2+]C5)c23)c1 ZINC001164403367 718860669 /nfs/dbraw/zinc/86/06/69/718860669.db2.gz MTILBIPDJMMGCT-UHFFFAOYSA-N 2 2 441.626 3.584 20 0 IHADLP C[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164675154 719440727 /nfs/dbraw/zinc/44/07/27/719440727.db2.gz ZHBDJTGACHNTBO-LEWJYISDSA-N 2 2 449.624 3.863 20 0 IHADLP C[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164675154 719440733 /nfs/dbraw/zinc/44/07/33/719440733.db2.gz ZHBDJTGACHNTBO-LEWJYISDSA-N 2 2 449.624 3.863 20 0 IHADLP CCCc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)[nH+]1 ZINC001164680073 719673527 /nfs/dbraw/zinc/67/35/27/719673527.db2.gz BJLJVIHKSNLWSP-NRFANRHFSA-N 2 2 449.643 3.831 20 0 IHADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(NCC3CC3)c(C)c[nH+]1)CC2 ZINC001164709759 720093264 /nfs/dbraw/zinc/09/32/64/720093264.db2.gz CZHRMKUUEKMMLR-QFIPXVFZSA-N 2 2 436.604 3.509 20 0 IHADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(NCC3CC3)c(C)c[nH+]1)CC2 ZINC001164709759 720093269 /nfs/dbraw/zinc/09/32/69/720093269.db2.gz CZHRMKUUEKMMLR-QFIPXVFZSA-N 2 2 436.604 3.509 20 0 IHADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738114 720828941 /nfs/dbraw/zinc/82/89/41/720828941.db2.gz DSPFUXLMLXYHBB-JXALWOEJSA-N 2 2 432.572 3.523 20 0 IHADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738114 720828944 /nfs/dbraw/zinc/82/89/44/720828944.db2.gz DSPFUXLMLXYHBB-JXALWOEJSA-N 2 2 432.572 3.523 20 0 IHADLP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749068 720867289 /nfs/dbraw/zinc/86/72/89/720867289.db2.gz GRACWHPBOKLLLQ-GJZUVCINSA-N 2 2 448.615 3.509 20 0 IHADLP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749068 720867292 /nfs/dbraw/zinc/86/72/92/720867292.db2.gz GRACWHPBOKLLLQ-GJZUVCINSA-N 2 2 448.615 3.509 20 0 IHADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1 ZINC001164770674 721277078 /nfs/dbraw/zinc/27/70/78/721277078.db2.gz WQRHLNPILRNXMF-HYBUGGRVSA-N 2 2 432.572 3.935 20 0 IHADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1 ZINC001164770674 721277084 /nfs/dbraw/zinc/27/70/84/721277084.db2.gz WQRHLNPILRNXMF-HYBUGGRVSA-N 2 2 432.572 3.935 20 0 IHADLP COc1ccc2c(cc[nH+]c2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777735 721340634 /nfs/dbraw/zinc/34/06/34/721340634.db2.gz HQXFVCPNXGXHMS-RUZDIDTESA-N 2 2 436.556 3.967 20 0 IHADLP COc1ccc2c(cc[nH+]c2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777735 721340638 /nfs/dbraw/zinc/34/06/38/721340638.db2.gz HQXFVCPNXGXHMS-RUZDIDTESA-N 2 2 436.556 3.967 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904359 721719293 /nfs/dbraw/zinc/71/92/93/721719293.db2.gz CGNDNICNAYLQRP-FUMRIQNTSA-N 2 2 442.510 3.709 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904359 721719298 /nfs/dbraw/zinc/71/92/98/721719298.db2.gz CGNDNICNAYLQRP-FUMRIQNTSA-N 2 2 442.510 3.709 20 0 IHADLP C[C@H]1CCCN(c2cc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc[nH+]2)C1 ZINC001164913078 721732089 /nfs/dbraw/zinc/73/20/89/721732089.db2.gz SFSRCMSPARMSFT-WMZHIEFXSA-N 2 2 442.558 3.846 20 0 IHADLP C[C@H]1CCCN(c2cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc[nH+]2)C1 ZINC001164913078 721732091 /nfs/dbraw/zinc/73/20/91/721732091.db2.gz SFSRCMSPARMSFT-WMZHIEFXSA-N 2 2 442.558 3.846 20 0 IHADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164950585 722006554 /nfs/dbraw/zinc/00/65/54/722006554.db2.gz DFENUEPFRZVNLN-UHFFFAOYSA-N 3 2 444.583 3.680 20 0 IHADLP Brc1cccc2c([C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CCO3)[nH+]cn21 ZINC001164417498 718890397 /nfs/dbraw/zinc/89/03/97/718890397.db2.gz LBACNDYNOWLOGG-GOSISDBHSA-N 2 2 442.361 3.666 20 0 IHADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c2c1C ZINC001164637175 719237272 /nfs/dbraw/zinc/23/72/72/719237272.db2.gz UMISKNYKRVDHMJ-HOTGVXAUSA-N 2 2 445.633 3.691 20 0 IHADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2c1C ZINC001164637175 719237274 /nfs/dbraw/zinc/23/72/74/719237274.db2.gz UMISKNYKRVDHMJ-HOTGVXAUSA-N 2 2 445.633 3.691 20 0 IHADLP Fc1cccnc1N(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164690748 719761341 /nfs/dbraw/zinc/76/13/41/719761341.db2.gz HTTQRCPUBUOBOB-VGSWGCGISA-N 2 2 431.943 3.524 20 0 IHADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001164770675 721276530 /nfs/dbraw/zinc/27/65/30/721276530.db2.gz WQRHLNPILRNXMF-RDPSFJRHSA-N 2 2 432.572 3.935 20 0 IHADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001164770675 721276533 /nfs/dbraw/zinc/27/65/33/721276533.db2.gz WQRHLNPILRNXMF-RDPSFJRHSA-N 2 2 432.572 3.935 20 0 IHADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001164770673 721277123 /nfs/dbraw/zinc/27/71/23/721277123.db2.gz WQRHLNPILRNXMF-GBXCKJPGSA-N 2 2 432.572 3.935 20 0 IHADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001164770673 721277133 /nfs/dbraw/zinc/27/71/33/721277133.db2.gz WQRHLNPILRNXMF-GBXCKJPGSA-N 2 2 432.572 3.935 20 0 IHADLP COc1ccc2c[nH+]c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc2c1 ZINC001164781651 721360172 /nfs/dbraw/zinc/36/01/72/721360172.db2.gz KIFBYWUKAGOSOK-RUZDIDTESA-N 2 2 436.556 3.967 20 0 IHADLP COc1ccc2c[nH+]c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc2c1 ZINC001164781651 721360178 /nfs/dbraw/zinc/36/01/78/721360178.db2.gz KIFBYWUKAGOSOK-RUZDIDTESA-N 2 2 436.556 3.967 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904360 721718456 /nfs/dbraw/zinc/71/84/56/721718456.db2.gz CGNDNICNAYLQRP-KSEXMQBYSA-N 2 2 442.510 3.709 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904360 721718471 /nfs/dbraw/zinc/71/84/71/721718471.db2.gz CGNDNICNAYLQRP-KSEXMQBYSA-N 2 2 442.510 3.709 20 0 IHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000623116774 721922139 /nfs/dbraw/zinc/92/21/39/721922139.db2.gz RKBRDSLLDSAUGC-IBGZPJMESA-N 2 2 437.613 3.721 20 0 IHADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc[nH+]1 ZINC001164840151 720572598 /nfs/dbraw/zinc/57/25/98/720572598.db2.gz RWQOEUGKWYDCSI-FDFHNCONSA-N 2 2 425.625 3.677 20 0 IHADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc[nH+]1 ZINC001164840151 720572609 /nfs/dbraw/zinc/57/26/09/720572609.db2.gz RWQOEUGKWYDCSI-FDFHNCONSA-N 2 2 425.625 3.677 20 0 IHADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844175 720637852 /nfs/dbraw/zinc/63/78/52/720637852.db2.gz ZOPDEUCNJBOMJN-YCRNBWNJSA-N 2 2 435.572 3.826 20 0 IHADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844175 720637861 /nfs/dbraw/zinc/63/78/61/720637861.db2.gz ZOPDEUCNJBOMJN-YCRNBWNJSA-N 2 2 435.572 3.826 20 0 IHADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164801205 721560773 /nfs/dbraw/zinc/56/07/73/721560773.db2.gz GLGQVSIJYXUNCN-XJUOHMSHSA-N 2 2 442.007 3.594 20 0 IHADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164801205 721560779 /nfs/dbraw/zinc/56/07/79/721560779.db2.gz GLGQVSIJYXUNCN-XJUOHMSHSA-N 2 2 442.007 3.594 20 0 IHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908460 721702678 /nfs/dbraw/zinc/70/26/78/721702678.db2.gz ZHEIYYUJIRWMFW-QFIPXVFZSA-N 2 2 430.499 3.618 20 0 IHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908460 721702681 /nfs/dbraw/zinc/70/26/81/721702681.db2.gz ZHEIYYUJIRWMFW-QFIPXVFZSA-N 2 2 430.499 3.618 20 0 IHADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164658562 719354556 /nfs/dbraw/zinc/35/45/56/719354556.db2.gz JEIDBUNHMFOVMS-UHFFFAOYSA-N 2 2 430.600 3.838 20 0 IHADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164658562 719354557 /nfs/dbraw/zinc/35/45/57/719354557.db2.gz JEIDBUNHMFOVMS-UHFFFAOYSA-N 2 2 430.600 3.838 20 0 IHADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164660712 719355246 /nfs/dbraw/zinc/35/52/46/719355246.db2.gz XTQRWULHLUMLKJ-UHFFFAOYSA-N 2 2 439.567 3.962 20 0 IHADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164660712 719355249 /nfs/dbraw/zinc/35/52/49/719355249.db2.gz XTQRWULHLUMLKJ-UHFFFAOYSA-N 2 2 439.567 3.962 20 0 IHADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001164743083 720843951 /nfs/dbraw/zinc/84/39/51/720843951.db2.gz ILXYKQZDBMDIKP-WMTXJRDZSA-N 2 2 435.620 3.804 20 0 IHADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001164743083 720843953 /nfs/dbraw/zinc/84/39/53/720843953.db2.gz ILXYKQZDBMDIKP-WMTXJRDZSA-N 2 2 435.620 3.804 20 0 IHADLP CCCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164756852 720897091 /nfs/dbraw/zinc/89/70/91/720897091.db2.gz RQJAXMKQFKKOTB-JYFHCDHNSA-N 2 2 435.616 3.888 20 0 IHADLP CCCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164756852 720897093 /nfs/dbraw/zinc/89/70/93/720897093.db2.gz RQJAXMKQFKKOTB-JYFHCDHNSA-N 2 2 435.616 3.888 20 0 IHADLP Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C2CC2)[nH+]1 ZINC001164748071 720920782 /nfs/dbraw/zinc/92/07/82/720920782.db2.gz FOCHMTNDFDUTTA-BVAGGSTKSA-N 2 2 433.600 3.813 20 0 IHADLP Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C2CC2)[nH+]1 ZINC001164748071 720920796 /nfs/dbraw/zinc/92/07/96/720920796.db2.gz FOCHMTNDFDUTTA-BVAGGSTKSA-N 2 2 433.600 3.813 20 0 IHADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1 ZINC001164770677 721276718 /nfs/dbraw/zinc/27/67/18/721276718.db2.gz WQRHLNPILRNXMF-YKSBVNFPSA-N 2 2 432.572 3.935 20 0 IHADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1 ZINC001164770677 721276724 /nfs/dbraw/zinc/27/67/24/721276724.db2.gz WQRHLNPILRNXMF-YKSBVNFPSA-N 2 2 432.572 3.935 20 0 IHADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4[nH+]c(C)cc5ccccc54)CC3)C2=O)cs1 ZINC001164819230 720375095 /nfs/dbraw/zinc/37/50/95/720375095.db2.gz AFUNSRZGNUWTRV-UHFFFAOYSA-N 2 2 435.597 3.621 20 0 IHADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4[nH+]c(C)cc5ccccc54)CC3)C2=O)cs1 ZINC001164819230 720375099 /nfs/dbraw/zinc/37/50/99/720375099.db2.gz AFUNSRZGNUWTRV-UHFFFAOYSA-N 2 2 435.597 3.621 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840276 720704263 /nfs/dbraw/zinc/70/42/63/720704263.db2.gz OJYLJFSOLDCRMR-ZUTVHTERSA-N 2 2 435.568 3.836 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840276 720704274 /nfs/dbraw/zinc/70/42/74/720704274.db2.gz OJYLJFSOLDCRMR-ZUTVHTERSA-N 2 2 435.568 3.836 20 0 IHADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3ccc(OC)cc31)CC2 ZINC001164783645 721464096 /nfs/dbraw/zinc/46/40/96/721464096.db2.gz DZGMOABBLYOTRO-JOCHJYFZSA-N 2 2 439.600 3.977 20 0 IHADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3ccc(OC)cc31)CC2 ZINC001164783645 721464098 /nfs/dbraw/zinc/46/40/98/721464098.db2.gz DZGMOABBLYOTRO-JOCHJYFZSA-N 2 2 439.600 3.977 20 0 IHADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@@H]2CCCO[C@H]21 ZINC001164801201 721560610 /nfs/dbraw/zinc/56/06/10/721560610.db2.gz GLGQVSIJYXUNCN-MQSCRBSSSA-N 2 2 442.007 3.594 20 0 IHADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@@H]2CCCO[C@H]21 ZINC001164801201 721560616 /nfs/dbraw/zinc/56/06/16/721560616.db2.gz GLGQVSIJYXUNCN-MQSCRBSSSA-N 2 2 442.007 3.594 20 0 IHADLP C[C@@H]1CCCN(c2cc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc[nH+]2)C1 ZINC001164913076 721731979 /nfs/dbraw/zinc/73/19/79/721731979.db2.gz SFSRCMSPARMSFT-AUSIDOKSSA-N 2 2 442.558 3.846 20 0 IHADLP C[C@@H]1CCCN(c2cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc[nH+]2)C1 ZINC001164913076 721731991 /nfs/dbraw/zinc/73/19/91/721731991.db2.gz SFSRCMSPARMSFT-AUSIDOKSSA-N 2 2 442.558 3.846 20 0 IHADLP C[NH+]1CCN(c2cccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)[nH+]2)CC1 ZINC001165048749 721979893 /nfs/dbraw/zinc/97/98/93/721979893.db2.gz GIMFFNDLZYQJHF-UHFFFAOYSA-N 2 2 436.478 3.780 20 0 IHADLP CCCc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)[nH+]1 ZINC001164680074 719673480 /nfs/dbraw/zinc/67/34/80/719673480.db2.gz BJLJVIHKSNLWSP-OAQYLSRUSA-N 2 2 449.643 3.831 20 0 IHADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]c2c1 ZINC001164743095 720836688 /nfs/dbraw/zinc/83/66/88/720836688.db2.gz IOJSDZFRSSCYME-YOSAUDMPSA-N 2 2 432.572 3.523 20 0 IHADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]c2c1 ZINC001164743095 720836691 /nfs/dbraw/zinc/83/66/91/720836691.db2.gz IOJSDZFRSSCYME-YOSAUDMPSA-N 2 2 432.572 3.523 20 0 IHADLP O=S(=O)(c1ccccc1)n1ccc2c1nc[nH+]c2N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165047657 721968153 /nfs/dbraw/zinc/96/81/53/721968153.db2.gz LIMFJQDECFHSNU-IBGZPJMESA-N 2 2 439.585 3.513 20 0 IHADLP FC(F)(F)[C@H]1N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CCC12CC[NH2+]CC2 ZINC001164388936 718814444 /nfs/dbraw/zinc/81/44/44/718814444.db2.gz RQMSNSOOKCEADN-NRFANRHFSA-N 2 2 431.506 3.546 20 0 IHADLP FC(F)(F)[C@H]1N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CCC12CC[NH2+]CC2 ZINC001164388936 718814446 /nfs/dbraw/zinc/81/44/46/718814446.db2.gz RQMSNSOOKCEADN-NRFANRHFSA-N 2 2 431.506 3.546 20 0 IHADLP COc1cc(Oc2cc[nH+]c(N3CCN4CC[NH2+]C[C@@H]4C3)c2)ccc1OCc1ccccc1 ZINC001164402229 718837448 /nfs/dbraw/zinc/83/74/48/718837448.db2.gz DGLGJUFUYFDCED-OAQYLSRUSA-N 2 2 446.551 3.555 20 0 IHADLP C[N@H+](Cc1ccc(N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc1)C1CC1 ZINC001164416307 718890946 /nfs/dbraw/zinc/89/09/46/718890946.db2.gz DFZPFDULDJBAPB-GOSISDBHSA-N 2 2 442.361 3.664 20 0 IHADLP C[N@@H+](Cc1ccc(N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc1)C1CC1 ZINC001164416307 718890948 /nfs/dbraw/zinc/89/09/48/718890948.db2.gz DFZPFDULDJBAPB-GOSISDBHSA-N 2 2 442.361 3.664 20 0 IHADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738110 720828846 /nfs/dbraw/zinc/82/88/46/720828846.db2.gz DSPFUXLMLXYHBB-DCLXLUIPSA-N 2 2 432.572 3.523 20 0 IHADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738110 720828848 /nfs/dbraw/zinc/82/88/48/720828848.db2.gz DSPFUXLMLXYHBB-DCLXLUIPSA-N 2 2 432.572 3.523 20 0 IHADLP c1csc(C[N@H+]2C[C@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164781628 721403387 /nfs/dbraw/zinc/40/33/87/721403387.db2.gz CIKBOWPUGRSMDA-SZPZYZBQSA-N 2 2 431.609 3.665 20 0 IHADLP c1csc(C[N@@H+]2C[C@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164781628 721403395 /nfs/dbraw/zinc/40/33/95/721403395.db2.gz CIKBOWPUGRSMDA-SZPZYZBQSA-N 2 2 431.609 3.665 20 0 IHADLP c1csc(C[NH+]2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164781628 721403398 /nfs/dbraw/zinc/40/33/98/721403398.db2.gz CIKBOWPUGRSMDA-SZPZYZBQSA-N 2 2 431.609 3.665 20 0 IHADLP c1csc(C[NH+]2C[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164781628 721403401 /nfs/dbraw/zinc/40/34/01/721403401.db2.gz CIKBOWPUGRSMDA-SZPZYZBQSA-N 2 2 431.609 3.665 20 0 IHADLP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164788902 721413128 /nfs/dbraw/zinc/41/31/28/721413128.db2.gz SNGXNRGXYIJZGD-ROUUACIJSA-N 2 2 434.544 3.643 20 0 IHADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164801203 721561150 /nfs/dbraw/zinc/56/11/50/721561150.db2.gz GLGQVSIJYXUNCN-QZNHQXDQSA-N 2 2 442.007 3.594 20 0 IHADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164801203 721561155 /nfs/dbraw/zinc/56/11/55/721561155.db2.gz GLGQVSIJYXUNCN-QZNHQXDQSA-N 2 2 442.007 3.594 20 0 IHADLP FC1(F)CCN(c2cc[nH+]c(N3CCCCC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908640 721723612 /nfs/dbraw/zinc/72/36/12/721723612.db2.gz YIPQMKMRLVQFFI-JOCHJYFZSA-N 2 2 428.531 3.600 20 0 IHADLP FC1(F)CCN(c2cc[nH+]c(N3CCCCC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908640 721723619 /nfs/dbraw/zinc/72/36/19/721723619.db2.gz YIPQMKMRLVQFFI-JOCHJYFZSA-N 2 2 428.531 3.600 20 0 IHADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(NCC3CC3)c(C)c[nH+]1)CC2 ZINC001164709758 720092681 /nfs/dbraw/zinc/09/26/81/720092681.db2.gz CZHRMKUUEKMMLR-JOCHJYFZSA-N 2 2 436.604 3.509 20 0 IHADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(NCC3CC3)c(C)c[nH+]1)CC2 ZINC001164709758 720092690 /nfs/dbraw/zinc/09/26/90/720092690.db2.gz CZHRMKUUEKMMLR-JOCHJYFZSA-N 2 2 436.604 3.509 20 0 IHADLP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749066 720867350 /nfs/dbraw/zinc/86/73/50/720867350.db2.gz GRACWHPBOKLLLQ-BKMJKUGQSA-N 2 2 448.615 3.509 20 0 IHADLP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749066 720867353 /nfs/dbraw/zinc/86/73/53/720867353.db2.gz GRACWHPBOKLLLQ-BKMJKUGQSA-N 2 2 448.615 3.509 20 0 IHADLP FC1(F)CCN(c2cc(N3CCCCC3)[nH+]cn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908951 721723753 /nfs/dbraw/zinc/72/37/53/721723753.db2.gz ZWHIITGCPGCJEO-JOCHJYFZSA-N 2 2 428.531 3.600 20 0 IHADLP FC1(F)CCN(c2cc(N3CCCCC3)[nH+]cn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908951 721723756 /nfs/dbraw/zinc/72/37/56/721723756.db2.gz ZWHIITGCPGCJEO-JOCHJYFZSA-N 2 2 428.531 3.600 20 0 IHADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)NCC[NH+]3Cc2ccccc2)nc1 ZINC001164948226 721980626 /nfs/dbraw/zinc/98/06/26/721980626.db2.gz KDVPKPUIFIHFBQ-DEOSSOPVSA-N 2 2 447.627 3.600 20 0 IHADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)NCC[NH+]3Cc2ccccc2)nc1 ZINC001164948226 721980629 /nfs/dbraw/zinc/98/06/29/721980629.db2.gz KDVPKPUIFIHFBQ-DEOSSOPVSA-N 2 2 447.627 3.600 20 0 IHADLP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164948226 721980632 /nfs/dbraw/zinc/98/06/32/721980632.db2.gz KDVPKPUIFIHFBQ-DEOSSOPVSA-N 2 2 447.627 3.600 20 0 IHADLP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164948226 721980634 /nfs/dbraw/zinc/98/06/34/721980634.db2.gz KDVPKPUIFIHFBQ-DEOSSOPVSA-N 2 2 447.627 3.600 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696230 719895888 /nfs/dbraw/zinc/89/58/88/719895888.db2.gz CTFFLKYNDWZKLG-WAYWQWQTSA-N 2 2 427.570 3.509 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696230 719895890 /nfs/dbraw/zinc/89/58/90/719895890.db2.gz CTFFLKYNDWZKLG-WAYWQWQTSA-N 2 2 427.570 3.509 20 0 IHADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)CC2 ZINC001164714726 720155250 /nfs/dbraw/zinc/15/52/50/720155250.db2.gz YJLKXHALTWPQBO-FQEVSTJZSA-N 2 2 431.584 3.954 20 0 IHADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)CC2 ZINC001164714726 720155252 /nfs/dbraw/zinc/15/52/52/720155252.db2.gz YJLKXHALTWPQBO-FQEVSTJZSA-N 2 2 431.584 3.954 20 0 IHADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]c2c1 ZINC001164743092 720836710 /nfs/dbraw/zinc/83/67/10/720836710.db2.gz IOJSDZFRSSCYME-DCLXLUIPSA-N 2 2 432.572 3.523 20 0 IHADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]c2c1 ZINC001164743092 720836713 /nfs/dbraw/zinc/83/67/13/720836713.db2.gz IOJSDZFRSSCYME-DCLXLUIPSA-N 2 2 432.572 3.523 20 0 IHADLP COc1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)[nH+]c2ccccc21 ZINC001164779944 721361036 /nfs/dbraw/zinc/36/10/36/721361036.db2.gz BABRUIWTOIPHKN-RUZDIDTESA-N 2 2 436.556 3.967 20 0 IHADLP COc1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)[nH+]c2ccccc21 ZINC001164779944 721361039 /nfs/dbraw/zinc/36/10/39/721361039.db2.gz BABRUIWTOIPHKN-RUZDIDTESA-N 2 2 436.556 3.967 20 0 IHADLP c1csc(C[NH+]2C[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164781626 721403470 /nfs/dbraw/zinc/40/34/70/721403470.db2.gz CIKBOWPUGRSMDA-FGZHOGPDSA-N 2 2 431.609 3.665 20 0 IHADLP c1csc(C[NH+]2C[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164781626 721403476 /nfs/dbraw/zinc/40/34/76/721403476.db2.gz CIKBOWPUGRSMDA-FGZHOGPDSA-N 2 2 431.609 3.665 20 0 IHADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3ccc(OC)cc31)CC2 ZINC001164783648 721464175 /nfs/dbraw/zinc/46/41/75/721464175.db2.gz DZGMOABBLYOTRO-QFIPXVFZSA-N 2 2 439.600 3.977 20 0 IHADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3ccc(OC)cc31)CC2 ZINC001164783648 721464178 /nfs/dbraw/zinc/46/41/78/721464178.db2.gz DZGMOABBLYOTRO-QFIPXVFZSA-N 2 2 439.600 3.977 20 0 IHADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)CC2 ZINC001164790020 721471587 /nfs/dbraw/zinc/47/15/87/721471587.db2.gz QAVYVTBWOOKJAA-FQEVSTJZSA-N 2 2 438.616 3.786 20 0 IHADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)CC2 ZINC001164790020 721471589 /nfs/dbraw/zinc/47/15/89/721471589.db2.gz QAVYVTBWOOKJAA-FQEVSTJZSA-N 2 2 438.616 3.786 20 0 IHADLP COc1cc2cc[nH+]c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2cc1OC ZINC001164809925 721558723 /nfs/dbraw/zinc/55/87/23/721558723.db2.gz YHGIEGKZXKFDJO-AWRGLXIESA-N 2 2 434.540 3.515 20 0 IHADLP COc1cc2cc[nH+]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2cc1OC ZINC001164809925 721558725 /nfs/dbraw/zinc/55/87/25/721558725.db2.gz YHGIEGKZXKFDJO-AWRGLXIESA-N 2 2 434.540 3.515 20 0 IHADLP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1NCC1CC1 ZINC001164904416 721582526 /nfs/dbraw/zinc/58/25/26/721582526.db2.gz QBVLAGIBHAEYLF-QFIPXVFZSA-N 2 2 428.531 3.740 20 0 IHADLP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1NCC1CC1 ZINC001164904416 721582530 /nfs/dbraw/zinc/58/25/30/721582530.db2.gz QBVLAGIBHAEYLF-QFIPXVFZSA-N 2 2 428.531 3.740 20 0 IHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCC[C@@H](C)C5)[nH+]cn4)CC3)C2)cc1 ZINC001164938630 721932383 /nfs/dbraw/zinc/93/23/83/721932383.db2.gz BYGQAYDHOFICCC-JOCHJYFZSA-N 2 2 435.616 3.893 20 0 IHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCC[C@@H](C)C5)[nH+]cn4)CC3)C2)cc1 ZINC001164938630 721932384 /nfs/dbraw/zinc/93/23/84/721932384.db2.gz BYGQAYDHOFICCC-JOCHJYFZSA-N 2 2 435.616 3.893 20 0 IHADLP O=S(=O)(c1ccccc1)n1ccc2c1nc[nH+]c2N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047658 721968007 /nfs/dbraw/zinc/96/80/07/721968007.db2.gz LIMFJQDECFHSNU-LJQANCHMSA-N 2 2 439.585 3.513 20 0 IHADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)[N@H+](C)C[C@H]3C)c2c1C ZINC001164637181 719237457 /nfs/dbraw/zinc/23/74/57/719237457.db2.gz UMISKNYKRVDHMJ-JKSUJKDBSA-N 2 2 445.633 3.691 20 0 IHADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)[N@@H+](C)C[C@H]3C)c2c1C ZINC001164637181 719237462 /nfs/dbraw/zinc/23/74/62/719237462.db2.gz UMISKNYKRVDHMJ-JKSUJKDBSA-N 2 2 445.633 3.691 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840274 720705897 /nfs/dbraw/zinc/70/58/97/720705897.db2.gz OJYLJFSOLDCRMR-JJNABOQBSA-N 2 2 435.568 3.836 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840274 720705908 /nfs/dbraw/zinc/70/59/08/720705908.db2.gz OJYLJFSOLDCRMR-JJNABOQBSA-N 2 2 435.568 3.836 20 0 IHADLP COc1ccc2cc[nH+]c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164784271 721360220 /nfs/dbraw/zinc/36/02/20/721360220.db2.gz RDFWWJKZHLBBSV-RUZDIDTESA-N 2 2 436.556 3.967 20 0 IHADLP COc1ccc2cc[nH+]c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164784271 721360224 /nfs/dbraw/zinc/36/02/24/721360224.db2.gz RDFWWJKZHLBBSV-RUZDIDTESA-N 2 2 436.556 3.967 20 0 IHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C(C)C)C2)C1 ZINC001164785012 721363470 /nfs/dbraw/zinc/36/34/70/721363470.db2.gz RUQAFIHYDXKCSP-DEOSSOPVSA-N 2 2 438.576 3.736 20 0 IHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C(C)C)C2)C1 ZINC001164785012 721363472 /nfs/dbraw/zinc/36/34/72/721363472.db2.gz RUQAFIHYDXKCSP-DEOSSOPVSA-N 2 2 438.576 3.736 20 0 IHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164967493 722075654 /nfs/dbraw/zinc/07/56/54/722075654.db2.gz RVMCXQJWCQDSQI-BGYRXZFFSA-N 2 2 441.645 3.593 20 0 IHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164967493 722075656 /nfs/dbraw/zinc/07/56/56/722075656.db2.gz RVMCXQJWCQDSQI-BGYRXZFFSA-N 2 2 441.645 3.593 20 0 IHADLP Brc1cccc2c([C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CCO3)[nH+]cn21 ZINC001164417500 718890519 /nfs/dbraw/zinc/89/05/19/718890519.db2.gz LBACNDYNOWLOGG-SFHVURJKSA-N 2 2 442.361 3.666 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692656 719812108 /nfs/dbraw/zinc/81/21/08/719812108.db2.gz QUAUAPQUVNOZLV-AATRIKPKSA-N 2 2 426.586 3.976 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692656 719812109 /nfs/dbraw/zinc/81/21/09/719812109.db2.gz QUAUAPQUVNOZLV-AATRIKPKSA-N 2 2 426.586 3.976 20 0 IHADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)CC2 ZINC001164714729 720154423 /nfs/dbraw/zinc/15/44/23/720154423.db2.gz YJLKXHALTWPQBO-HXUWFJFHSA-N 2 2 431.584 3.954 20 0 IHADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)CC2 ZINC001164714729 720154433 /nfs/dbraw/zinc/15/44/33/720154433.db2.gz YJLKXHALTWPQBO-HXUWFJFHSA-N 2 2 431.584 3.954 20 0 IHADLP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749070 720867463 /nfs/dbraw/zinc/86/74/63/720867463.db2.gz GRACWHPBOKLLLQ-NVQXNPDNSA-N 2 2 448.615 3.509 20 0 IHADLP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1NC1CC1 ZINC001164749070 720867466 /nfs/dbraw/zinc/86/74/66/720867466.db2.gz GRACWHPBOKLLLQ-NVQXNPDNSA-N 2 2 448.615 3.509 20 0 IHADLP FC1(F)CCN(c2cc(N3CCCCC3)[nH+]cn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908952 721723535 /nfs/dbraw/zinc/72/35/35/721723535.db2.gz ZWHIITGCPGCJEO-QFIPXVFZSA-N 2 2 428.531 3.600 20 0 IHADLP FC1(F)CCN(c2cc(N3CCCCC3)[nH+]cn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908952 721723539 /nfs/dbraw/zinc/72/35/39/721723539.db2.gz ZWHIITGCPGCJEO-QFIPXVFZSA-N 2 2 428.531 3.600 20 0 IHADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164801207 721561013 /nfs/dbraw/zinc/56/10/13/721561013.db2.gz GLGQVSIJYXUNCN-XPNTWCBSSA-N 2 2 442.007 3.594 20 0 IHADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164801207 721561016 /nfs/dbraw/zinc/56/10/16/721561016.db2.gz GLGQVSIJYXUNCN-XPNTWCBSSA-N 2 2 442.007 3.594 20 0 IHADLP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1N1CCCC1 ZINC001164905962 721583036 /nfs/dbraw/zinc/58/30/36/721583036.db2.gz YDNUZVDRAVPMCX-QFIPXVFZSA-N 2 2 428.531 3.518 20 0 IHADLP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1N1CCCC1 ZINC001164905962 721583037 /nfs/dbraw/zinc/58/30/37/721583037.db2.gz YDNUZVDRAVPMCX-QFIPXVFZSA-N 2 2 428.531 3.518 20 0 IHADLP CCOC(=O)c1cc2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2[nH]1 ZINC001165019893 721809192 /nfs/dbraw/zinc/80/91/92/721809192.db2.gz CBGIPHLMENGPNV-RCZSKKKRSA-N 2 2 433.556 3.872 20 0 IHADLP CCOC(=O)c1cc2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2[nH]1 ZINC001165019893 721809193 /nfs/dbraw/zinc/80/91/93/721809193.db2.gz CBGIPHLMENGPNV-RCZSKKKRSA-N 2 2 433.556 3.872 20 0 IHADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@H]([NH+](C)C)C3)c2c1C ZINC001165035330 721895906 /nfs/dbraw/zinc/89/59/06/721895906.db2.gz MRDTYAFCQQMQKL-KRWDZBQOSA-N 2 2 445.633 3.693 20 0 IHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000623116776 721922247 /nfs/dbraw/zinc/92/22/47/721922247.db2.gz RKBRDSLLDSAUGC-LJQANCHMSA-N 2 2 437.613 3.721 20 0 IHADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)CC(=O)N(CC3CC3)c3ccccc34)[nH+]2)CC1 ZINC001164974700 722161096 /nfs/dbraw/zinc/16/10/96/722161096.db2.gz PCXJVIIIUQIAJY-UHFFFAOYSA-N 2 2 445.611 3.518 20 0 IHADLP CSc1cc[nH+]c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164686917 719677381 /nfs/dbraw/zinc/67/73/81/719677381.db2.gz ZAWRUWJWPWMKDW-IBGZPJMESA-N 2 2 438.641 3.897 20 0 IHADLP C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@]4(CCN(c5ccccc5)C4)C3)[nH+]2)CC1 ZINC001164820968 720394859 /nfs/dbraw/zinc/39/48/59/720394859.db2.gz DIDOUBMDOWJJOR-QHCPKHFHSA-N 2 2 427.543 3.576 20 0 IHADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]c2c1 ZINC001164743093 720836987 /nfs/dbraw/zinc/83/69/87/720836987.db2.gz IOJSDZFRSSCYME-JXALWOEJSA-N 2 2 432.572 3.523 20 0 IHADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]c2c1 ZINC001164743093 720836989 /nfs/dbraw/zinc/83/69/89/720836989.db2.gz IOJSDZFRSSCYME-JXALWOEJSA-N 2 2 432.572 3.523 20 0 IHADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164753980 720892133 /nfs/dbraw/zinc/89/21/33/720892133.db2.gz HZZNKGIJWKYTHQ-GJZUVCINSA-N 2 2 446.599 3.725 20 0 IHADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164753980 720892134 /nfs/dbraw/zinc/89/21/34/720892134.db2.gz HZZNKGIJWKYTHQ-GJZUVCINSA-N 2 2 446.599 3.725 20 0 IHADLP CCCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164756851 720897274 /nfs/dbraw/zinc/89/72/74/720897274.db2.gz RQJAXMKQFKKOTB-BVAGGSTKSA-N 2 2 435.616 3.888 20 0 IHADLP CCCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164756851 720897277 /nfs/dbraw/zinc/89/72/77/720897277.db2.gz RQJAXMKQFKKOTB-BVAGGSTKSA-N 2 2 435.616 3.888 20 0 IHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC001165022289 721838689 /nfs/dbraw/zinc/83/86/89/721838689.db2.gz QWUNCRNPQUAKLJ-UHFFFAOYSA-N 2 2 425.577 3.503 20 0 IHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC001165022289 721838690 /nfs/dbraw/zinc/83/86/90/721838690.db2.gz QWUNCRNPQUAKLJ-UHFFFAOYSA-N 2 2 425.577 3.503 20 0 IHADLP Fc1ccccc1N1CCN(c2cc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc[nH+]2)CC1 ZINC001165048735 721976182 /nfs/dbraw/zinc/97/61/82/721976182.db2.gz KXCMXRRGOGSQDE-OAQYLSRUSA-N 2 2 438.595 3.787 20 0 IHADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@]5(C[NH2+]C[C@@H]5c5ccccc5)C4)c3C2)cc1 ZINC001164618814 719044402 /nfs/dbraw/zinc/04/44/02/719044402.db2.gz BUAPQYFYBNXPJA-SQHAQQRYSA-N 2 2 425.580 3.618 20 0 IHADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@]5(C[NH2+]C[C@@H]5c5ccccc5)C4)c3C2)cc1 ZINC001164618814 719044408 /nfs/dbraw/zinc/04/44/08/719044408.db2.gz BUAPQYFYBNXPJA-SQHAQQRYSA-N 2 2 425.580 3.618 20 0 IHADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c12 ZINC001164690824 719805786 /nfs/dbraw/zinc/80/57/86/719805786.db2.gz AGDIDXYGDWLKPB-UHFFFAOYSA-N 2 2 440.573 3.535 20 0 IHADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c12 ZINC001164690824 719805788 /nfs/dbraw/zinc/80/57/88/719805788.db2.gz AGDIDXYGDWLKPB-UHFFFAOYSA-N 2 2 440.573 3.535 20 0 IHADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc[nH+]1 ZINC001164840147 720573777 /nfs/dbraw/zinc/57/37/77/720573777.db2.gz RWQOEUGKWYDCSI-BHDDXSALSA-N 2 2 425.625 3.677 20 0 IHADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc[nH+]1 ZINC001164840147 720573783 /nfs/dbraw/zinc/57/37/83/720573783.db2.gz RWQOEUGKWYDCSI-BHDDXSALSA-N 2 2 425.625 3.677 20 0 IHADLP COc1ccc2cc[nH+]c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164784274 721361002 /nfs/dbraw/zinc/36/10/02/721361002.db2.gz RDFWWJKZHLBBSV-VWLOTQADSA-N 2 2 436.556 3.967 20 0 IHADLP COc1ccc2cc[nH+]c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164784274 721361006 /nfs/dbraw/zinc/36/10/06/721361006.db2.gz RDFWWJKZHLBBSV-VWLOTQADSA-N 2 2 436.556 3.967 20 0 IHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(N3CCCC3)c(C)c[nH+]2)CC1 ZINC001165017154 721837641 /nfs/dbraw/zinc/83/76/41/721837641.db2.gz ICFMXXGMNRSGDG-UHFFFAOYSA-N 2 2 425.577 3.503 20 0 IHADLP Fc1cccnc1N(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164690746 719760828 /nfs/dbraw/zinc/76/08/28/719760828.db2.gz HTTQRCPUBUOBOB-JTSKRJEESA-N 2 2 431.943 3.524 20 0 IHADLP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cc1 ZINC001164783252 721414248 /nfs/dbraw/zinc/41/42/48/721414248.db2.gz HPVKUKKCKQNHMM-ROUUACIJSA-N 2 2 434.544 3.643 20 0 IHADLP CCOC(=O)c1c(C)cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)[nH+]c1C ZINC001165020546 721841903 /nfs/dbraw/zinc/84/19/03/721841903.db2.gz FSZMVZBLLWDCMW-UHFFFAOYSA-N 2 2 441.572 3.993 20 0 IHADLP O=S(=O)(c1ccccc1)n1ccc2c[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc21 ZINC001165049790 721974578 /nfs/dbraw/zinc/97/45/78/721974578.db2.gz RHUFNBWDFXMCOM-HXUWFJFHSA-N 2 2 439.585 3.513 20 0 IHADLP Brc1cccc2c([C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CCO3)[nH+]cn21 ZINC001164418029 718890821 /nfs/dbraw/zinc/89/08/21/718890821.db2.gz NCPSDNBELQGVPX-SFHVURJKSA-N 2 2 442.361 3.666 20 0 IHADLP C[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164675157 719440951 /nfs/dbraw/zinc/44/09/51/719440951.db2.gz ZHBDJTGACHNTBO-NHCUHLMSSA-N 2 2 449.624 3.863 20 0 IHADLP C[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164675157 719440952 /nfs/dbraw/zinc/44/09/52/719440952.db2.gz ZHBDJTGACHNTBO-NHCUHLMSSA-N 2 2 449.624 3.863 20 0 IHADLP C[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164675160 719441397 /nfs/dbraw/zinc/44/13/97/719441397.db2.gz ZHBDJTGACHNTBO-RTWAWAEBSA-N 2 2 449.624 3.863 20 0 IHADLP C[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164675160 719441404 /nfs/dbraw/zinc/44/14/04/719441404.db2.gz ZHBDJTGACHNTBO-RTWAWAEBSA-N 2 2 449.624 3.863 20 0 IHADLP Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C2CC2)[nH+]1 ZINC001164684662 719679482 /nfs/dbraw/zinc/67/94/82/719679482.db2.gz VCMJOEJTOINNPL-OAQYLSRUSA-N 2 2 447.627 3.756 20 0 IHADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844173 720638892 /nfs/dbraw/zinc/63/88/92/720638892.db2.gz ZOPDEUCNJBOMJN-SELNLUPBSA-N 2 2 435.572 3.826 20 0 IHADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844173 720638894 /nfs/dbraw/zinc/63/88/94/720638894.db2.gz ZOPDEUCNJBOMJN-SELNLUPBSA-N 2 2 435.572 3.826 20 0 IHADLP COc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)[nH+]c2ccccc21 ZINC001164779945 721360453 /nfs/dbraw/zinc/36/04/53/721360453.db2.gz BABRUIWTOIPHKN-VWLOTQADSA-N 2 2 436.556 3.967 20 0 IHADLP COc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)[nH+]c2ccccc21 ZINC001164779945 721360459 /nfs/dbraw/zinc/36/04/59/721360459.db2.gz BABRUIWTOIPHKN-VWLOTQADSA-N 2 2 436.556 3.967 20 0 IHADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1C ZINC001165038720 721918544 /nfs/dbraw/zinc/91/85/44/721918544.db2.gz PHLXRJJAZUWEEN-LJQANCHMSA-N 2 2 429.634 3.595 20 0 IHADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001164743081 720843575 /nfs/dbraw/zinc/84/35/75/720843575.db2.gz ILXYKQZDBMDIKP-CQOQZXRMSA-N 2 2 435.620 3.804 20 0 IHADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001164743081 720843576 /nfs/dbraw/zinc/84/35/76/720843576.db2.gz ILXYKQZDBMDIKP-CQOQZXRMSA-N 2 2 435.620 3.804 20 0 IHADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164753983 720892020 /nfs/dbraw/zinc/89/20/20/720892020.db2.gz HZZNKGIJWKYTHQ-NVQXNPDNSA-N 2 2 446.599 3.725 20 0 IHADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164753983 720892022 /nfs/dbraw/zinc/89/20/22/720892022.db2.gz HZZNKGIJWKYTHQ-NVQXNPDNSA-N 2 2 446.599 3.725 20 0 IHADLP Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C2CC2)[nH+]1 ZINC001164748072 720920372 /nfs/dbraw/zinc/92/03/72/720920372.db2.gz FOCHMTNDFDUTTA-JYFHCDHNSA-N 2 2 433.600 3.813 20 0 IHADLP Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C2CC2)[nH+]1 ZINC001164748072 720920391 /nfs/dbraw/zinc/92/03/91/720920391.db2.gz FOCHMTNDFDUTTA-JYFHCDHNSA-N 2 2 433.600 3.813 20 0 IHADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4[nH+]c(N5CCCC5)cc5ccccc54)C3)O2)CC1 ZINC001164899909 721439145 /nfs/dbraw/zinc/43/91/45/721439145.db2.gz ZNNZVXPLBAUHJS-YIXXDRMTSA-N 2 2 449.643 3.600 20 0 IHADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(C[NH+](C)C(C)C)nnc3C2)nc1 ZINC001165011015 721719818 /nfs/dbraw/zinc/71/98/18/721719818.db2.gz MDIQEQJAVAAQMT-NRFANRHFSA-N 2 2 425.625 3.861 20 0 IHADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(C[NH+](C)C(C)C)nnc3C2)nc1 ZINC001165011015 721719824 /nfs/dbraw/zinc/71/98/24/721719824.db2.gz MDIQEQJAVAAQMT-NRFANRHFSA-N 2 2 425.625 3.861 20 0 IHADLP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165011015 721719826 /nfs/dbraw/zinc/71/98/26/721719826.db2.gz MDIQEQJAVAAQMT-NRFANRHFSA-N 2 2 425.625 3.861 20 0 IHADLP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165011015 721719829 /nfs/dbraw/zinc/71/98/29/721719829.db2.gz MDIQEQJAVAAQMT-NRFANRHFSA-N 2 2 425.625 3.861 20 0 IHADLP FC1(F)CCN(c2cc[nH+]c(N3CCCCC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908643 721723242 /nfs/dbraw/zinc/72/32/42/721723242.db2.gz YIPQMKMRLVQFFI-QFIPXVFZSA-N 2 2 428.531 3.600 20 0 IHADLP FC1(F)CCN(c2cc[nH+]c(N3CCCCC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908643 721723246 /nfs/dbraw/zinc/72/32/46/721723246.db2.gz YIPQMKMRLVQFFI-QFIPXVFZSA-N 2 2 428.531 3.600 20 0 IHADLP C[C@@H]1CCCN(c2cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc[nH+]2)C1 ZINC001164913079 721731671 /nfs/dbraw/zinc/73/16/71/721731671.db2.gz SFSRCMSPARMSFT-XXBNENTESA-N 2 2 442.558 3.846 20 0 IHADLP C[C@@H]1CCCN(c2cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc[nH+]2)C1 ZINC001164913079 721731674 /nfs/dbraw/zinc/73/16/74/721731674.db2.gz SFSRCMSPARMSFT-XXBNENTESA-N 2 2 442.558 3.846 20 0 IHADLP C[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164675162 719441277 /nfs/dbraw/zinc/44/12/77/719441277.db2.gz ZHBDJTGACHNTBO-SFTDATJTSA-N 2 2 449.624 3.863 20 0 IHADLP C[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164675162 719441287 /nfs/dbraw/zinc/44/12/87/719441287.db2.gz ZHBDJTGACHNTBO-SFTDATJTSA-N 2 2 449.624 3.863 20 0 IHADLP CSc1cc[nH+]c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164686919 719677149 /nfs/dbraw/zinc/67/71/49/719677149.db2.gz ZAWRUWJWPWMKDW-LJQANCHMSA-N 2 2 438.641 3.897 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692657 719811967 /nfs/dbraw/zinc/81/19/67/719811967.db2.gz QUAUAPQUVNOZLV-WAYWQWQTSA-N 2 2 426.586 3.976 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692657 719811968 /nfs/dbraw/zinc/81/19/68/719811968.db2.gz QUAUAPQUVNOZLV-WAYWQWQTSA-N 2 2 426.586 3.976 20 0 IHADLP Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C2CCCCC2)[nH+]1 ZINC001164829845 720334815 /nfs/dbraw/zinc/33/48/15/720334815.db2.gz OIGFSWKAZZOHGS-DHIUTWEWSA-N 2 2 425.621 3.744 20 0 IHADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738125 720828886 /nfs/dbraw/zinc/82/88/86/720828886.db2.gz DSPFUXLMLXYHBB-MZLICYQSSA-N 2 2 432.572 3.523 20 0 IHADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc(C)c2c1 ZINC001164738125 720828887 /nfs/dbraw/zinc/82/88/87/720828887.db2.gz DSPFUXLMLXYHBB-MZLICYQSSA-N 2 2 432.572 3.523 20 0 IHADLP Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C2CC2)[nH+]1 ZINC001164748074 720921139 /nfs/dbraw/zinc/92/11/39/720921139.db2.gz FOCHMTNDFDUTTA-ZEQKJWHPSA-N 2 2 433.600 3.813 20 0 IHADLP Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C2CC2)[nH+]1 ZINC001164748074 720921144 /nfs/dbraw/zinc/92/11/44/720921144.db2.gz FOCHMTNDFDUTTA-ZEQKJWHPSA-N 2 2 433.600 3.813 20 0 IHADLP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164783250 721413902 /nfs/dbraw/zinc/41/39/02/721413902.db2.gz HPVKUKKCKQNHMM-QZTJIDSGSA-N 2 2 434.544 3.643 20 0 IHADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4[nH+]c(N5CCCC5)cc5ccccc54)C3)O2)CC1 ZINC001164899901 721438561 /nfs/dbraw/zinc/43/85/61/721438561.db2.gz ZNNZVXPLBAUHJS-KCWPFWIISA-N 2 2 449.643 3.600 20 0 IHADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)[nH+]c(C(C)(C)C)n1)CC2 ZINC001164789921 721468696 /nfs/dbraw/zinc/46/86/96/721468696.db2.gz PDKQYWCTYOTAAB-OAQYLSRUSA-N 2 2 430.637 3.816 20 0 IHADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)[nH+]c(C(C)(C)C)n1)CC2 ZINC001164789921 721468697 /nfs/dbraw/zinc/46/86/97/721468697.db2.gz PDKQYWCTYOTAAB-OAQYLSRUSA-N 2 2 430.637 3.816 20 0 IHADLP COc1cc2cc[nH+]c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2cc1OC ZINC001164809927 721558016 /nfs/dbraw/zinc/55/80/16/721558016.db2.gz YHGIEGKZXKFDJO-HFMPRLQTSA-N 2 2 434.540 3.515 20 0 IHADLP COc1cc2cc[nH+]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2cc1OC ZINC001164809927 721558017 /nfs/dbraw/zinc/55/80/17/721558017.db2.gz YHGIEGKZXKFDJO-HFMPRLQTSA-N 2 2 434.540 3.515 20 0 IHADLP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1NCC1CC1 ZINC001164904414 721583049 /nfs/dbraw/zinc/58/30/49/721583049.db2.gz QBVLAGIBHAEYLF-JOCHJYFZSA-N 2 2 428.531 3.740 20 0 IHADLP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1NCC1CC1 ZINC001164904414 721583052 /nfs/dbraw/zinc/58/30/52/721583052.db2.gz QBVLAGIBHAEYLF-JOCHJYFZSA-N 2 2 428.531 3.740 20 0 IHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[NH+](CCc4ccccn4)CC3)c2c1C ZINC001165056103 722017256 /nfs/dbraw/zinc/01/72/56/722017256.db2.gz WCLMFAVDMAQDHE-UHFFFAOYSA-N 2 2 436.629 3.664 20 0 IHADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@]5(C[NH2+]C[C@@H]5c5ccccc5)C4)c3C2)cc1 ZINC001164618813 719044300 /nfs/dbraw/zinc/04/43/00/719044300.db2.gz BUAPQYFYBNXPJA-SHQCIBLASA-N 2 2 425.580 3.618 20 0 IHADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@]5(C[NH2+]C[C@@H]5c5ccccc5)C4)c3C2)cc1 ZINC001164618813 719044307 /nfs/dbraw/zinc/04/43/07/719044307.db2.gz BUAPQYFYBNXPJA-SHQCIBLASA-N 2 2 425.580 3.618 20 0 IHADLP Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C2CC2)[nH+]1 ZINC001164684657 719679447 /nfs/dbraw/zinc/67/94/47/719679447.db2.gz VCMJOEJTOINNPL-NRFANRHFSA-N 2 2 447.627 3.756 20 0 IHADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4[nH+]ccc5cccc(C)c54)CC3)C2=O)cs1 ZINC001164820420 720382469 /nfs/dbraw/zinc/38/24/69/720382469.db2.gz BDMRXAUEDYANGH-UHFFFAOYSA-N 2 2 435.597 3.621 20 0 IHADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4[nH+]ccc5cccc(C)c54)CC3)C2=O)cs1 ZINC001164820420 720382477 /nfs/dbraw/zinc/38/24/77/720382477.db2.gz BDMRXAUEDYANGH-UHFFFAOYSA-N 2 2 435.597 3.621 20 0 IHADLP CCCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164756854 720897408 /nfs/dbraw/zinc/89/74/08/720897408.db2.gz RQJAXMKQFKKOTB-ZEQKJWHPSA-N 2 2 435.616 3.888 20 0 IHADLP CCCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164756854 720897409 /nfs/dbraw/zinc/89/74/09/720897409.db2.gz RQJAXMKQFKKOTB-ZEQKJWHPSA-N 2 2 435.616 3.888 20 0 IHADLP COc1cc2c[nH+]c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc2cc1OC ZINC001164804091 721582459 /nfs/dbraw/zinc/58/24/59/721582459.db2.gz IHJJXQCRMCOZFI-STWLZBDKSA-N 2 2 434.540 3.515 20 0 IHADLP COc1cc2c[nH+]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc2cc1OC ZINC001164804091 721582460 /nfs/dbraw/zinc/58/24/60/721582460.db2.gz IHJJXQCRMCOZFI-STWLZBDKSA-N 2 2 434.540 3.515 20 0 IHADLP CC(C)(C)N(c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164736210 720543940 /nfs/dbraw/zinc/54/39/40/720543940.db2.gz VYVIDRLZJQHVIT-OAQYLSRUSA-N 2 2 435.616 3.551 20 0 IHADLP CC(C)(C)N(c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001164736210 720543944 /nfs/dbraw/zinc/54/39/44/720543944.db2.gz VYVIDRLZJQHVIT-OAQYLSRUSA-N 2 2 435.616 3.551 20 0 IHADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]c2c1 ZINC001164743094 720837038 /nfs/dbraw/zinc/83/70/38/720837038.db2.gz IOJSDZFRSSCYME-MZLICYQSSA-N 2 2 432.572 3.523 20 0 IHADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]c2c1 ZINC001164743094 720837041 /nfs/dbraw/zinc/83/70/41/720837041.db2.gz IOJSDZFRSSCYME-MZLICYQSSA-N 2 2 432.572 3.523 20 0 IHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908453 721702968 /nfs/dbraw/zinc/70/29/68/721702968.db2.gz ZHEIYYUJIRWMFW-JOCHJYFZSA-N 2 2 430.499 3.618 20 0 IHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908453 721702971 /nfs/dbraw/zinc/70/29/71/721702971.db2.gz ZHEIYYUJIRWMFW-JOCHJYFZSA-N 2 2 430.499 3.618 20 0 IHADLP C[C@H]1CCCN(c2cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc[nH+]2)C1 ZINC001164913077 721731025 /nfs/dbraw/zinc/73/10/25/721731025.db2.gz SFSRCMSPARMSFT-CVDCTZTESA-N 2 2 442.558 3.846 20 0 IHADLP C[C@H]1CCCN(c2cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc[nH+]2)C1 ZINC001164913077 721731030 /nfs/dbraw/zinc/73/10/30/721731030.db2.gz SFSRCMSPARMSFT-CVDCTZTESA-N 2 2 442.558 3.846 20 0 IHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164911818 721764281 /nfs/dbraw/zinc/76/42/81/721764281.db2.gz SEFDYRDSYJSGQM-UHFFFAOYSA-N 3 2 447.583 3.737 20 0 IHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164911818 721764286 /nfs/dbraw/zinc/76/42/86/721764286.db2.gz SEFDYRDSYJSGQM-UHFFFAOYSA-N 3 2 447.583 3.737 20 0 IHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001165021210 721843365 /nfs/dbraw/zinc/84/33/65/721843365.db2.gz HYRPJLZHZXGNEF-UHFFFAOYSA-N 2 2 425.577 3.585 20 0 IHADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056208 722017613 /nfs/dbraw/zinc/01/76/13/722017613.db2.gz ZWAULNBNIZHMHB-UHFFFAOYSA-N 2 2 438.645 3.910 20 0 IHADLP Brc1cccc2c([C@H]3CN(c4ncccc4C[NH+]4CCCC4)CCO3)[nH+]cn21 ZINC001164418028 718891185 /nfs/dbraw/zinc/89/11/85/718891185.db2.gz NCPSDNBELQGVPX-GOSISDBHSA-N 2 2 442.361 3.666 20 0 IHADLP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164659289 719344843 /nfs/dbraw/zinc/34/48/43/719344843.db2.gz BCUNZLALESHZTH-UHFFFAOYSA-N 2 2 445.615 3.936 20 0 IHADLP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164659289 719344848 /nfs/dbraw/zinc/34/48/48/719344848.db2.gz BCUNZLALESHZTH-UHFFFAOYSA-N 2 2 445.615 3.936 20 0 IHADLP C[C@@H]1CCCN(c2cc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)[nH+]cn2)C1 ZINC001164838279 720721467 /nfs/dbraw/zinc/72/14/67/720721467.db2.gz HTTDXJXMSIRJFP-FYYLOGMGSA-N 2 2 435.616 3.973 20 0 IHADLP C[C@@H]1CCCN(c2cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH+]cn2)C1 ZINC001164838279 720721474 /nfs/dbraw/zinc/72/14/74/720721474.db2.gz HTTDXJXMSIRJFP-FYYLOGMGSA-N 2 2 435.616 3.973 20 0 IHADLP C[C@@H]1CCCN(c2cc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc[nH+]2)C1 ZINC001164838279 720721481 /nfs/dbraw/zinc/72/14/81/720721481.db2.gz HTTDXJXMSIRJFP-FYYLOGMGSA-N 2 2 435.616 3.973 20 0 IHADLP C[C@@H]1CCCN(c2cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc[nH+]2)C1 ZINC001164838279 720721485 /nfs/dbraw/zinc/72/14/85/720721485.db2.gz HTTDXJXMSIRJFP-FYYLOGMGSA-N 2 2 435.616 3.973 20 0 IHADLP CCCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164756853 720897376 /nfs/dbraw/zinc/89/73/76/720897376.db2.gz RQJAXMKQFKKOTB-OZXSUGGESA-N 2 2 435.616 3.888 20 0 IHADLP CCCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)[nH+]1 ZINC001164756853 720897378 /nfs/dbraw/zinc/89/73/78/720897378.db2.gz RQJAXMKQFKKOTB-OZXSUGGESA-N 2 2 435.616 3.888 20 0 IHADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC(N(C)C)=[NH+]O3)CC2)n1 ZINC001164874099 721327187 /nfs/dbraw/zinc/32/71/87/721327187.db2.gz GKGHMFZOCICKSA-UHFFFAOYSA-N 2 2 430.622 3.784 20 0 IHADLP COc1ccc2c(cc[nH+]c2N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777738 721340844 /nfs/dbraw/zinc/34/08/44/721340844.db2.gz HQXFVCPNXGXHMS-VWLOTQADSA-N 2 2 436.556 3.967 20 0 IHADLP COc1ccc2c(cc[nH+]c2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777738 721340849 /nfs/dbraw/zinc/34/08/49/721340849.db2.gz HQXFVCPNXGXHMS-VWLOTQADSA-N 2 2 436.556 3.967 20 0 IHADLP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164783248 721414128 /nfs/dbraw/zinc/41/41/28/721414128.db2.gz HPVKUKKCKQNHMM-HDICACEKSA-N 2 2 434.544 3.643 20 0 IHADLP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164783248 721414131 /nfs/dbraw/zinc/41/41/31/721414131.db2.gz HPVKUKKCKQNHMM-HDICACEKSA-N 2 2 434.544 3.643 20 0 IHADLP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165046450 721962398 /nfs/dbraw/zinc/96/23/98/721962398.db2.gz MJCZEGBCVMYXNF-UHFFFAOYSA-N 2 2 448.945 3.858 20 0 IHADLP COc1cc2[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ccc2c(OC)c1 ZINC001164966627 722062184 /nfs/dbraw/zinc/06/21/84/722062184.db2.gz WBEHGAKGAJKFOR-UHFFFAOYSA-N 2 2 448.567 3.766 20 0 IHADLP COc1cc2[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ccc2c(OC)c1 ZINC001164966627 722062185 /nfs/dbraw/zinc/06/21/85/722062185.db2.gz WBEHGAKGAJKFOR-UHFFFAOYSA-N 2 2 448.567 3.766 20 0 IHADLP Fc1cccnc1N(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690745 719761233 /nfs/dbraw/zinc/76/12/33/719761233.db2.gz HTTQRCPUBUOBOB-HTAPYJJXSA-N 2 2 431.943 3.524 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696229 719895947 /nfs/dbraw/zinc/89/59/47/719895947.db2.gz CTFFLKYNDWZKLG-AATRIKPKSA-N 2 2 427.570 3.509 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696229 719895948 /nfs/dbraw/zinc/89/59/48/719895948.db2.gz CTFFLKYNDWZKLG-AATRIKPKSA-N 2 2 427.570 3.509 20 0 IHADLP Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C2CCCCC2)[nH+]1 ZINC001164829861 720334722 /nfs/dbraw/zinc/33/47/22/720334722.db2.gz OIGFSWKAZZOHGS-PKTZIBPZSA-N 2 2 425.621 3.744 20 0 IHADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844172 720637645 /nfs/dbraw/zinc/63/76/45/720637645.db2.gz ZOPDEUCNJBOMJN-DNVFCKCGSA-N 2 2 435.572 3.826 20 0 IHADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)ccc2c(OC)c1 ZINC001164844172 720637656 /nfs/dbraw/zinc/63/76/56/720637656.db2.gz ZOPDEUCNJBOMJN-DNVFCKCGSA-N 2 2 435.572 3.826 20 0 IHADLP Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C2CC2)[nH+]1 ZINC001164748073 720921446 /nfs/dbraw/zinc/92/14/46/720921446.db2.gz FOCHMTNDFDUTTA-OZXSUGGESA-N 2 2 433.600 3.813 20 0 IHADLP Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C2CC2)[nH+]1 ZINC001164748073 720921457 /nfs/dbraw/zinc/92/14/57/720921457.db2.gz FOCHMTNDFDUTTA-OZXSUGGESA-N 2 2 433.600 3.813 20 0 IHADLP c1[nH+]cn2c1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C[C@H](COCC1CC1)C2 ZINC001164756030 720975617 /nfs/dbraw/zinc/97/56/17/720975617.db2.gz DEKCPXNIRYSLBI-QHCPKHFHSA-N 2 2 443.595 3.899 20 0 IHADLP c1[nH+]cn2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C[C@H](COCC1CC1)C2 ZINC001164756030 720975633 /nfs/dbraw/zinc/97/56/33/720975633.db2.gz DEKCPXNIRYSLBI-QHCPKHFHSA-N 2 2 443.595 3.899 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939671 721929701 /nfs/dbraw/zinc/92/97/01/721929701.db2.gz NYKVYHRZISAQDE-CMDGGOBGSA-N 2 2 435.568 3.756 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939671 721929703 /nfs/dbraw/zinc/92/97/03/721929703.db2.gz NYKVYHRZISAQDE-CMDGGOBGSA-N 2 2 435.568 3.756 20 0 IHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001559997050 1126207091 /nfs/dbraw/zinc/20/70/91/1126207091.db2.gz LWKRCAOLWASWAZ-JOCHJYFZSA-N 2 2 426.358 3.953 20 0 IHADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)n2)cc1 ZINC001164857357 721016003 /nfs/dbraw/zinc/01/60/03/721016003.db2.gz DIJDHWIGOJJNJK-IBGZPJMESA-N 2 2 449.603 3.740 20 0 IHADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)n2)cc1 ZINC001164857357 721016010 /nfs/dbraw/zinc/01/60/10/721016010.db2.gz DIJDHWIGOJJNJK-IBGZPJMESA-N 2 2 449.603 3.740 20 0 IHADLP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4[nH+]c(N5CCCC5)cc5ccccc54)C3)O2)CC1 ZINC001164899899 721438945 /nfs/dbraw/zinc/43/89/45/721438945.db2.gz ZNNZVXPLBAUHJS-HOFKKMOUSA-N 2 2 449.643 3.600 20 0 IHADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(C[NH+](C)C(C)C)nnc3C2)nc1 ZINC001165011019 721719036 /nfs/dbraw/zinc/71/90/36/721719036.db2.gz MDIQEQJAVAAQMT-OAQYLSRUSA-N 2 2 425.625 3.861 20 0 IHADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(C[NH+](C)C(C)C)nnc3C2)nc1 ZINC001165011019 721719042 /nfs/dbraw/zinc/71/90/42/721719042.db2.gz MDIQEQJAVAAQMT-OAQYLSRUSA-N 2 2 425.625 3.861 20 0 IHADLP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165011019 721719047 /nfs/dbraw/zinc/71/90/47/721719047.db2.gz MDIQEQJAVAAQMT-OAQYLSRUSA-N 2 2 425.625 3.861 20 0 IHADLP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165011019 721719052 /nfs/dbraw/zinc/71/90/52/721719052.db2.gz MDIQEQJAVAAQMT-OAQYLSRUSA-N 2 2 425.625 3.861 20 0 IHADLP COC(=O)c1c(C)cc(C)[nH+]c1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022464 721840896 /nfs/dbraw/zinc/84/08/96/721840896.db2.gz TTWBEXYGDSNEES-UHFFFAOYSA-N 2 2 427.545 3.603 20 0 IHADLP C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@@]4(CCN(c5ccccc5)C4)C3)[nH+]2)CC1 ZINC001164820961 720395082 /nfs/dbraw/zinc/39/50/82/720395082.db2.gz DIDOUBMDOWJJOR-HSZRJFAPSA-N 2 2 427.543 3.576 20 0 IHADLP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164788898 721413258 /nfs/dbraw/zinc/41/32/58/721413258.db2.gz SNGXNRGXYIJZGD-HDICACEKSA-N 2 2 434.544 3.643 20 0 IHADLP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164788898 721413262 /nfs/dbraw/zinc/41/32/62/721413262.db2.gz SNGXNRGXYIJZGD-HDICACEKSA-N 2 2 434.544 3.643 20 0 IHADLP CCCN(CCC)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc[nH+]1 ZINC001164962530 722058156 /nfs/dbraw/zinc/05/81/56/722058156.db2.gz TWKMQMQVIRNHOV-UHFFFAOYSA-N 2 2 438.620 3.617 20 0 IHADLP CCCN(CCC)c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc[nH+]1 ZINC001164962530 722058159 /nfs/dbraw/zinc/05/81/59/722058159.db2.gz TWKMQMQVIRNHOV-UHFFFAOYSA-N 2 2 438.620 3.617 20 0 IHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967316 722076993 /nfs/dbraw/zinc/07/69/93/722076993.db2.gz ATKFAMGXMYYDLW-BGYRXZFFSA-N 2 2 449.624 3.719 20 0 IHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967316 722076994 /nfs/dbraw/zinc/07/69/94/722076994.db2.gz ATKFAMGXMYYDLW-BGYRXZFFSA-N 2 2 449.624 3.719 20 0 IHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001559997051 1126207105 /nfs/dbraw/zinc/20/71/05/1126207105.db2.gz LWKRCAOLWASWAZ-QFIPXVFZSA-N 2 2 426.358 3.953 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840270 720705084 /nfs/dbraw/zinc/70/50/84/720705084.db2.gz OJYLJFSOLDCRMR-AXKWSIDASA-N 2 2 435.568 3.836 20 0 IHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840270 720705091 /nfs/dbraw/zinc/70/50/91/720705091.db2.gz OJYLJFSOLDCRMR-AXKWSIDASA-N 2 2 435.568 3.836 20 0 IHADLP C[C@H]1CCCN(c2cc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)[nH+]cn2)C1 ZINC001164838288 720720373 /nfs/dbraw/zinc/72/03/73/720720373.db2.gz HTTDXJXMSIRJFP-JTHBVZDNSA-N 2 2 435.616 3.973 20 0 IHADLP C[C@H]1CCCN(c2cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH+]cn2)C1 ZINC001164838288 720720377 /nfs/dbraw/zinc/72/03/77/720720377.db2.gz HTTDXJXMSIRJFP-JTHBVZDNSA-N 2 2 435.616 3.973 20 0 IHADLP C[C@H]1CCCN(c2cc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc[nH+]2)C1 ZINC001164838288 720720383 /nfs/dbraw/zinc/72/03/83/720720383.db2.gz HTTDXJXMSIRJFP-JTHBVZDNSA-N 2 2 435.616 3.973 20 0 IHADLP C[C@H]1CCCN(c2cc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc[nH+]2)C1 ZINC001164838288 720720389 /nfs/dbraw/zinc/72/03/89/720720389.db2.gz HTTDXJXMSIRJFP-JTHBVZDNSA-N 2 2 435.616 3.973 20 0 IHADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)n2)cc1 ZINC001164857359 721015765 /nfs/dbraw/zinc/01/57/65/721015765.db2.gz DIJDHWIGOJJNJK-LJQANCHMSA-N 2 2 449.603 3.740 20 0 IHADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)n2)cc1 ZINC001164857359 721015773 /nfs/dbraw/zinc/01/57/73/721015773.db2.gz DIJDHWIGOJJNJK-LJQANCHMSA-N 2 2 449.603 3.740 20 0 IHADLP COc1cc2cc[nH+]c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1OC ZINC001164809928 721558575 /nfs/dbraw/zinc/55/85/75/721558575.db2.gz YHGIEGKZXKFDJO-ZFGGDYGUSA-N 2 2 434.540 3.515 20 0 IHADLP COc1cc2cc[nH+]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1OC ZINC001164809928 721558579 /nfs/dbraw/zinc/55/85/79/721558579.db2.gz YHGIEGKZXKFDJO-ZFGGDYGUSA-N 2 2 434.540 3.515 20 0 IHADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001165010789 721706086 /nfs/dbraw/zinc/70/60/86/721706086.db2.gz MIWRFIUFPORAJX-UHFFFAOYSA-N 2 2 429.572 3.927 20 0 IHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001165010789 721706088 /nfs/dbraw/zinc/70/60/88/721706088.db2.gz MIWRFIUFPORAJX-UHFFFAOYSA-N 2 2 429.572 3.927 20 0 IHADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@]5(C[NH2+]C[C@H]5c5ccccc5)C4)c3C2)cc1 ZINC001164618812 719044631 /nfs/dbraw/zinc/04/46/31/719044631.db2.gz BUAPQYFYBNXPJA-RPLLCQBOSA-N 2 2 425.580 3.618 20 0 IHADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@]5(C[NH2+]C[C@H]5c5ccccc5)C4)c3C2)cc1 ZINC001164618812 719044635 /nfs/dbraw/zinc/04/46/35/719044635.db2.gz BUAPQYFYBNXPJA-RPLLCQBOSA-N 2 2 425.580 3.618 20 0 IHADLP Fc1cccnc1N(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690747 719760055 /nfs/dbraw/zinc/76/00/55/719760055.db2.gz HTTQRCPUBUOBOB-VGOFRKELSA-N 2 2 431.943 3.524 20 0 IHADLP Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C2CCCCC2)[nH+]1 ZINC001164829864 720334844 /nfs/dbraw/zinc/33/48/44/720334844.db2.gz OIGFSWKAZZOHGS-XZOQPEGZSA-N 2 2 425.621 3.744 20 0 IHADLP C[C@@H]1CCCN(c2cc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)[nH+]cn2)C1 ZINC001164838282 720720337 /nfs/dbraw/zinc/72/03/37/720720337.db2.gz HTTDXJXMSIRJFP-GGAORHGYSA-N 2 2 435.616 3.973 20 0 IHADLP C[C@@H]1CCCN(c2cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH+]cn2)C1 ZINC001164838282 720720344 /nfs/dbraw/zinc/72/03/44/720720344.db2.gz HTTDXJXMSIRJFP-GGAORHGYSA-N 2 2 435.616 3.973 20 0 IHADLP C[C@@H]1CCCN(c2cc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nc[nH+]2)C1 ZINC001164838282 720720352 /nfs/dbraw/zinc/72/03/52/720720352.db2.gz HTTDXJXMSIRJFP-GGAORHGYSA-N 2 2 435.616 3.973 20 0 IHADLP C[C@@H]1CCCN(c2cc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc[nH+]2)C1 ZINC001164838282 720720357 /nfs/dbraw/zinc/72/03/57/720720357.db2.gz HTTDXJXMSIRJFP-GGAORHGYSA-N 2 2 435.616 3.973 20 0 IHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C(C)C)C2)C1 ZINC001164785028 721362796 /nfs/dbraw/zinc/36/27/96/721362796.db2.gz RUQAFIHYDXKCSP-XMMPIXPASA-N 2 2 438.576 3.736 20 0 IHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C(C)C)C2)C1 ZINC001164785028 721362798 /nfs/dbraw/zinc/36/27/98/721362798.db2.gz RUQAFIHYDXKCSP-XMMPIXPASA-N 2 2 438.576 3.736 20 0 IHADLP c1csc(C[NH+]2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3C2)n1 ZINC001164781630 721403029 /nfs/dbraw/zinc/40/30/29/721403029.db2.gz CIKBOWPUGRSMDA-VXKWHMMOSA-N 2 2 431.609 3.665 20 0 IHADLP c1csc(C[NH+]2C[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)C[C@@H]3C2)n1 ZINC001164781630 721403032 /nfs/dbraw/zinc/40/30/32/721403032.db2.gz CIKBOWPUGRSMDA-VXKWHMMOSA-N 2 2 431.609 3.665 20 0 IHADLP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164788900 721413639 /nfs/dbraw/zinc/41/36/39/721413639.db2.gz SNGXNRGXYIJZGD-QZTJIDSGSA-N 2 2 434.544 3.643 20 0 IHADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)[nH+]c(C(C)(C)C)n1)CC2 ZINC001164789916 721468310 /nfs/dbraw/zinc/46/83/10/721468310.db2.gz PDKQYWCTYOTAAB-NRFANRHFSA-N 2 2 430.637 3.816 20 0 IHADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)[nH+]c(C(C)(C)C)n1)CC2 ZINC001164789916 721468314 /nfs/dbraw/zinc/46/83/14/721468314.db2.gz PDKQYWCTYOTAAB-NRFANRHFSA-N 2 2 430.637 3.816 20 0 IHADLP Fc1ccccc1N1CCN(c2cc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc[nH+]2)CC1 ZINC001165048731 721976105 /nfs/dbraw/zinc/97/61/05/721976105.db2.gz KXCMXRRGOGSQDE-NRFANRHFSA-N 2 2 438.595 3.787 20 0 IHADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)NCC[NH+]3Cc2ccccc2)nc1 ZINC001164948230 721981006 /nfs/dbraw/zinc/98/10/06/721981006.db2.gz KDVPKPUIFIHFBQ-XMMPIXPASA-N 2 2 447.627 3.600 20 0 IHADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)NCC[NH+]3Cc2ccccc2)nc1 ZINC001164948230 721981009 /nfs/dbraw/zinc/98/10/09/721981009.db2.gz KDVPKPUIFIHFBQ-XMMPIXPASA-N 2 2 447.627 3.600 20 0 IHADLP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164948230 721981011 /nfs/dbraw/zinc/98/10/11/721981011.db2.gz KDVPKPUIFIHFBQ-XMMPIXPASA-N 2 2 447.627 3.600 20 0 IHADLP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164948230 721981014 /nfs/dbraw/zinc/98/10/14/721981014.db2.gz KDVPKPUIFIHFBQ-XMMPIXPASA-N 2 2 447.627 3.600 20 0 IHADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@]5(C[NH2+]C[C@H]5c5ccccc5)C4)c3C2)cc1 ZINC001164618810 719044507 /nfs/dbraw/zinc/04/45/07/719044507.db2.gz BUAPQYFYBNXPJA-IGKIAQTJSA-N 2 2 425.580 3.618 20 0 IHADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@]5(C[NH2+]C[C@H]5c5ccccc5)C4)c3C2)cc1 ZINC001164618810 719044511 /nfs/dbraw/zinc/04/45/11/719044511.db2.gz BUAPQYFYBNXPJA-IGKIAQTJSA-N 2 2 425.580 3.618 20 0 IHADLP CCOC(=O)c1c(C)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH+]c1C ZINC001164697725 719894497 /nfs/dbraw/zinc/89/44/97/719894497.db2.gz OMHQLXVTCXGEBW-UHFFFAOYSA-N 2 2 429.586 3.808 20 0 IHADLP CCOC(=O)c1c(C)cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]c1C ZINC001164697725 719894499 /nfs/dbraw/zinc/89/44/99/719894499.db2.gz OMHQLXVTCXGEBW-UHFFFAOYSA-N 2 2 429.586 3.808 20 0 IHADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc[nH+]1 ZINC001164840149 720573156 /nfs/dbraw/zinc/57/31/56/720573156.db2.gz RWQOEUGKWYDCSI-BHIFYINESA-N 2 2 425.625 3.677 20 0 IHADLP CCCN(CCC)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc[nH+]1 ZINC001164840149 720573164 /nfs/dbraw/zinc/57/31/64/720573164.db2.gz RWQOEUGKWYDCSI-BHIFYINESA-N 2 2 425.625 3.677 20 0 IHADLP COC(=O)c1ccc(-c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)[nH+]c2C)cc1 ZINC001164736689 720577860 /nfs/dbraw/zinc/57/78/60/720577860.db2.gz QWVIOCUWTSJZDF-UHFFFAOYSA-N 2 2 445.567 3.699 20 0 IHADLP COc1cc2c[nH+]c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc2cc1OC ZINC001164804093 721582100 /nfs/dbraw/zinc/58/21/00/721582100.db2.gz IHJJXQCRMCOZFI-WATLYSKOSA-N 2 2 434.540 3.515 20 0 IHADLP COc1cc2c[nH+]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc2cc1OC ZINC001164804093 721582102 /nfs/dbraw/zinc/58/21/02/721582102.db2.gz IHJJXQCRMCOZFI-WATLYSKOSA-N 2 2 434.540 3.515 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904361 721719257 /nfs/dbraw/zinc/71/92/57/721719257.db2.gz CGNDNICNAYLQRP-YQTDCCHMSA-N 2 2 442.510 3.709 20 0 IHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904361 721719263 /nfs/dbraw/zinc/71/92/63/721719263.db2.gz CGNDNICNAYLQRP-YQTDCCHMSA-N 2 2 442.510 3.709 20 0 IHADLP CCOC(=O)c1cc2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2[nH]1 ZINC001165019886 721809328 /nfs/dbraw/zinc/80/93/28/721809328.db2.gz CBGIPHLMENGPNV-CZTZKLFOSA-N 2 2 433.556 3.872 20 0 IHADLP CCOC(=O)c1cc2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2[nH]1 ZINC001165019886 721809329 /nfs/dbraw/zinc/80/93/29/721809329.db2.gz CBGIPHLMENGPNV-CZTZKLFOSA-N 2 2 433.556 3.872 20 0 IHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(NCC3CC3)c(C)c[nH+]2)CC1 ZINC001165018313 721837627 /nfs/dbraw/zinc/83/76/27/721837627.db2.gz WWLVUNWJVJJQLW-UHFFFAOYSA-N 2 2 425.577 3.725 20 0 IHADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@H]([NH+](C)C)C3)c2c1C ZINC001165035335 721896104 /nfs/dbraw/zinc/89/61/04/721896104.db2.gz MRDTYAFCQQMQKL-QGZVFWFLSA-N 2 2 445.633 3.693 20 0 IHADLP