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@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[NH+]1CCOCC1 ZINC001359664090 1070290005 /nfs/dbraw/zinc/29/00/05/1070290005.db2.gz ZIRVMRDFVHSWKJ-GMAHTHKFSA-N 2 2 488.746 4.168 20 0 JIADLP CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359678268 1070333135 /nfs/dbraw/zinc/33/31/35/1070333135.db2.gz ANEFNBZXYOWUDM-URXFXBBRSA-N 2 2 461.658 4.400 20 0 JIADLP CC(C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359678268 1070333153 /nfs/dbraw/zinc/33/31/53/1070333153.db2.gz ANEFNBZXYOWUDM-URXFXBBRSA-N 2 2 461.658 4.400 20 0 JIADLP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001492515899 1066362797 /nfs/dbraw/zinc/36/27/97/1066362797.db2.gz ICCRQXAEOINHBV-QHCPKHFHSA-N 2 2 483.611 4.150 20 0 JIADLP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001492515899 1066362809 /nfs/dbraw/zinc/36/28/09/1066362809.db2.gz ICCRQXAEOINHBV-QHCPKHFHSA-N 2 2 483.611 4.150 20 0 JIADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001332854118 1066379787 /nfs/dbraw/zinc/37/97/87/1066379787.db2.gz VCCOZSSWCXTTAK-NFBKMPQASA-N 2 2 478.662 4.013 20 0 JIADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001332854118 1066379805 /nfs/dbraw/zinc/37/98/05/1066379805.db2.gz VCCOZSSWCXTTAK-NFBKMPQASA-N 2 2 478.662 4.013 20 0 JIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3csc(-c4c(Cl)cccc4Cl)n3)CC2)CC1 ZINC001318073340 1066885579 /nfs/dbraw/zinc/88/55/79/1066885579.db2.gz IEKKVCSSBFYYMX-UHFFFAOYSA-N 2 2 467.466 4.334 20 0 JIADLP Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]Cc3cccc(CN4CC[NH+](C)CC4)c3)cc12 ZINC001200046651 1067423163 /nfs/dbraw/zinc/42/31/63/1067423163.db2.gz UQMHGOAQVUSEAD-UHFFFAOYSA-N 2 2 455.050 4.185 20 0 JIADLP C[C@@H](NC(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000849066923 1067794416 /nfs/dbraw/zinc/79/44/16/1067794416.db2.gz PWJJJHBUPKJPHS-MRXNPFEDSA-N 2 2 451.398 4.080 20 0 JIADLP COc1ccc([C@H](CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)[NH+]2CCCCC2)cc1 ZINC000622280322 1068360753 /nfs/dbraw/zinc/36/07/53/1068360753.db2.gz SRDMGRMYZZYTIQ-VWLOTQADSA-N 2 2 459.594 4.363 20 0 JIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ncc(I)s1 ZINC001200620552 1069075769 /nfs/dbraw/zinc/07/57/69/1069075769.db2.gz DERIOUAHMYXMKT-UHFFFAOYSA-N 2 2 453.349 4.263 20 0 JIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ncc(I)s1 ZINC001200620552 1069075779 /nfs/dbraw/zinc/07/57/79/1069075779.db2.gz DERIOUAHMYXMKT-UHFFFAOYSA-N 2 2 453.349 4.263 20 0 JIADLP O=C(c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164628975 719087437 /nfs/dbraw/zinc/08/74/37/719087437.db2.gz PHHHQGBGBFBLEC-XRKRLSELSA-N 2 2 495.671 4.140 20 0 JIADLP O=C(c1cccnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164628975 719087441 /nfs/dbraw/zinc/08/74/41/719087441.db2.gz PHHHQGBGBFBLEC-XRKRLSELSA-N 2 2 495.671 4.140 20 0 JIADLP CC(C)[N@H+](C)Cc1nn(-c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164679560 719638658 /nfs/dbraw/zinc/63/86/58/719638658.db2.gz GRNAPMILIXXORV-UHFFFAOYSA-N 3 2 493.725 4.228 20 0 JIADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164679560 719638671 /nfs/dbraw/zinc/63/86/71/719638671.db2.gz GRNAPMILIXXORV-UHFFFAOYSA-N 3 2 493.725 4.228 20 0 JIADLP CC(C)[N@H+](C)Cc1nn(-c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164679560 719638680 /nfs/dbraw/zinc/63/86/80/719638680.db2.gz GRNAPMILIXXORV-UHFFFAOYSA-N 2 2 493.725 4.228 20 0 JIADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164679560 719638690 /nfs/dbraw/zinc/63/86/90/719638690.db2.gz GRNAPMILIXXORV-UHFFFAOYSA-N 2 2 493.725 4.228 20 0 JIADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3cc(OC)c(F)cc31)CC2 ZINC001164711764 720154939 /nfs/dbraw/zinc/15/49/39/720154939.db2.gz JXUBLRIHZQEMHH-NRFANRHFSA-N 2 2 450.558 4.285 20 0 JIADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3cc(OC)c(F)cc31)CC2 ZINC001164711764 720154947 /nfs/dbraw/zinc/15/49/47/720154947.db2.gz JXUBLRIHZQEMHH-NRFANRHFSA-N 2 2 450.558 4.285 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164825979 720339210 /nfs/dbraw/zinc/33/92/10/720339210.db2.gz KASCDWYCCCGUII-RPBOFIJWSA-N 2 2 486.664 4.008 20 0 JIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164779743 721353292 /nfs/dbraw/zinc/35/32/92/721353292.db2.gz VJCNCCJKHGNVDZ-MUUNZHRXSA-N 2 2 486.620 4.203 20 0 JIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164779743 721353295 /nfs/dbraw/zinc/35/32/95/721353295.db2.gz VJCNCCJKHGNVDZ-MUUNZHRXSA-N 2 2 486.620 4.203 20 0 JIADLP c1csc(C[N@H+]2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)n1 ZINC001164781322 721426393 /nfs/dbraw/zinc/42/63/93/721426393.db2.gz DERNTMJLQSLSPC-HDICACEKSA-N 2 2 480.707 4.191 20 0 JIADLP c1csc(C[N@@H+]2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)n1 ZINC001164781322 721426398 /nfs/dbraw/zinc/42/63/98/721426398.db2.gz DERNTMJLQSLSPC-HDICACEKSA-N 2 2 480.707 4.191 20 0 JIADLP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)c23)C1 ZINC001164782737 721427330 /nfs/dbraw/zinc/42/73/30/721427330.db2.gz HRCJPXJKLFXEFU-GBESFXJTSA-N 2 2 494.734 4.437 20 0 JIADLP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)c23)C1 ZINC001164782737 721427331 /nfs/dbraw/zinc/42/73/31/721427331.db2.gz HRCJPXJKLFXEFU-GBESFXJTSA-N 2 2 494.734 4.437 20 0 JIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001165022163 721803824 /nfs/dbraw/zinc/80/38/24/721803824.db2.gz IAZINRDLQCRNRL-YRLRHBCXSA-N 2 2 468.649 4.167 20 0 JIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001165022163 721803825 /nfs/dbraw/zinc/80/38/25/721803825.db2.gz IAZINRDLQCRNRL-YRLRHBCXSA-N 2 2 468.649 4.167 20 0 JIADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001165022163 721803826 /nfs/dbraw/zinc/80/38/26/721803826.db2.gz IAZINRDLQCRNRL-YRLRHBCXSA-N 2 2 468.649 4.167 20 0 JIADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001165022163 721803828 /nfs/dbraw/zinc/80/38/28/721803828.db2.gz IAZINRDLQCRNRL-YRLRHBCXSA-N 2 2 468.649 4.167 20 0 JIADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[NH+](CCc5ccccn5)CC4)c23)C1 ZINC001165055302 722017682 /nfs/dbraw/zinc/01/76/82/722017682.db2.gz PGFSJMOLYNEZAM-HXUWFJFHSA-N 2 2 476.694 4.172 20 0 JIADLP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4c2CC[NH+](Cc2ccccc2)C4)C3)c1 ZINC001164994727 722198655 /nfs/dbraw/zinc/19/86/55/722198655.db2.gz PLLBIJOGSLKGJE-MUUNZHRXSA-N 2 2 457.597 4.419 20 0 JIADLP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncnc4c2CC[NH+](Cc2ccccc2)C4)C3)c1 ZINC001164994727 722198656 /nfs/dbraw/zinc/19/86/56/722198656.db2.gz PLLBIJOGSLKGJE-MUUNZHRXSA-N 2 2 457.597 4.419 20 0 JIADLP Fc1cccc(C[NH+]2CC[C@@]23CCCN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)C3)c1 ZINC001164994727 722198657 /nfs/dbraw/zinc/19/86/57/722198657.db2.gz PLLBIJOGSLKGJE-MUUNZHRXSA-N 2 2 457.597 4.419 20 0 JIADLP Fc1cccc(C[NH+]2CC[C@@]23CCCN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)C3)c1 ZINC001164994727 722198658 /nfs/dbraw/zinc/19/86/58/722198658.db2.gz PLLBIJOGSLKGJE-MUUNZHRXSA-N 2 2 457.597 4.419 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001315673197 1064904737 /nfs/dbraw/zinc/90/47/37/1064904737.db2.gz VCSPXTZIENOIRC-UHFFFAOYSA-N 2 2 473.046 4.206 20 0 JIADLP Cc1cccc(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)[nH+]1 ZINC001492526504 1066415030 /nfs/dbraw/zinc/41/50/30/1066415030.db2.gz BEYGBDCIULBDID-UHFFFAOYSA-N 2 2 450.606 4.311 20 0 JIADLP Cc1cccc([C@H](Cn2c(C(C)C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)[NH+]2CCOCC2)c1 ZINC001492481114 1066627170 /nfs/dbraw/zinc/62/71/70/1066627170.db2.gz SFCKTEHXYNHPKT-VWLOTQADSA-N 2 2 482.717 4.342 20 0 JIADLP CC[NH+](CC)[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(C(F)(F)F)c1 ZINC001349813375 1066885960 /nfs/dbraw/zinc/88/59/60/1066885960.db2.gz GTPIZILOBYQTCN-NRFANRHFSA-N 2 2 455.565 4.240 20 0 JIADLP COc1cc[nH+]cc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300692890 1067042724 /nfs/dbraw/zinc/04/27/24/1067042724.db2.gz CGPCQVFYGWZGRG-OYRHEFFESA-N 2 2 492.668 4.240 20 0 JIADLP COc1cc[nH+]cc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300692890 1067042742 /nfs/dbraw/zinc/04/27/42/1067042742.db2.gz CGPCQVFYGWZGRG-OYRHEFFESA-N 2 2 492.668 4.240 20 0 JIADLP C[NH+]1CCN(c2ccccc2CNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001321563474 1067166585 /nfs/dbraw/zinc/16/65/85/1067166585.db2.gz LLSKAGDNBFJAJT-UHFFFAOYSA-N 2 2 494.643 4.350 20 0 JIADLP COc1cc2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2cc1OC ZINC001164673985 719510926 /nfs/dbraw/zinc/51/09/26/719510926.db2.gz WYFJSOWVATVHST-UHFFFAOYSA-N 2 2 451.542 4.263 20 0 JIADLP COc1cc2cc[nH+]c(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2cc1OC ZINC001164673985 719510938 /nfs/dbraw/zinc/51/09/38/719510938.db2.gz WYFJSOWVATVHST-UHFFFAOYSA-N 2 2 451.542 4.263 20 0 JIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c2CC[NH+](Cc2ccccc2)C4)CC3)cs1 ZINC001164692611 719807816 /nfs/dbraw/zinc/80/78/16/719807816.db2.gz LHHHRSIWXOUZDL-UHFFFAOYSA-N 2 2 474.678 4.435 20 0 JIADLP Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2CC[NH+](Cc2ccccc2)C4)CC3)cs1 ZINC001164692611 719807818 /nfs/dbraw/zinc/80/78/18/719807818.db2.gz LHHHRSIWXOUZDL-UHFFFAOYSA-N 2 2 474.678 4.435 20 0 JIADLP Cc1nc(C[NH+]2CCCC23CCN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)CC3)cs1 ZINC001164692611 719807820 /nfs/dbraw/zinc/80/78/20/719807820.db2.gz LHHHRSIWXOUZDL-UHFFFAOYSA-N 2 2 474.678 4.435 20 0 JIADLP Cc1nc(C[NH+]2CCCC23CCN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)CC3)cs1 ZINC001164692611 719807821 /nfs/dbraw/zinc/80/78/21/719807821.db2.gz LHHHRSIWXOUZDL-UHFFFAOYSA-N 2 2 474.678 4.435 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164978880 722141301 /nfs/dbraw/zinc/14/13/01/722141301.db2.gz KGDBQFWXTBTHQV-IZZNHLLZSA-N 2 2 482.632 4.219 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164978880 722141305 /nfs/dbraw/zinc/14/13/05/722141305.db2.gz KGDBQFWXTBTHQV-IZZNHLLZSA-N 2 2 482.632 4.219 20 0 JIADLP CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359679662 1070335827 /nfs/dbraw/zinc/33/58/27/1070335827.db2.gz PBPDZUUWGYZCCC-VXKWHMMOSA-N 2 2 474.719 4.093 20 0 JIADLP CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359679662 1070335847 /nfs/dbraw/zinc/33/58/47/1070335847.db2.gz PBPDZUUWGYZCCC-VXKWHMMOSA-N 2 2 474.719 4.093 20 0 JIADLP COCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@H]1C ZINC001316138920 1065805546 /nfs/dbraw/zinc/80/55/46/1065805546.db2.gz XVCWECAMHSYFFR-YKSBVNFPSA-N 2 2 489.108 4.124 20 0 JIADLP COCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@H]1C ZINC001316138920 1065805553 /nfs/dbraw/zinc/80/55/53/1065805553.db2.gz XVCWECAMHSYFFR-YKSBVNFPSA-N 2 2 489.108 4.124 20 0 JIADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001318341039 1067024035 /nfs/dbraw/zinc/02/40/35/1067024035.db2.gz YKNHWEIZTABEMR-UHFFFAOYSA-N 2 2 452.046 4.239 20 0 JIADLP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC001200105674 1067629014 /nfs/dbraw/zinc/62/90/14/1067629014.db2.gz MGBKWPAQQWKEBU-UHFFFAOYSA-N 2 2 457.210 4.227 20 0 JIADLP C[C@H](NC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000849065928 1067793560 /nfs/dbraw/zinc/79/35/60/1067793560.db2.gz JMIOERYNDKIOML-INIZCTEOSA-N 2 2 451.398 4.080 20 0 JIADLP O[C@@H](C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1cccc(Br)c1 ZINC001474122685 1068356416 /nfs/dbraw/zinc/35/64/16/1068356416.db2.gz BZKYBPRHIMMFTE-IBGZPJMESA-N 2 2 450.764 4.201 20 0 JIADLP c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164736475 720580241 /nfs/dbraw/zinc/58/02/41/720580241.db2.gz LAVNNHMSPWWUNO-UHFFFAOYSA-N 2 2 491.709 4.021 20 0 JIADLP COc1cc2[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749994 720932709 /nfs/dbraw/zinc/93/27/09/720932709.db2.gz IRCXSRXRYGVUFT-MUAVYFROSA-N 2 2 488.632 4.402 20 0 JIADLP COc1cc2[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749994 720932721 /nfs/dbraw/zinc/93/27/21/720932721.db2.gz IRCXSRXRYGVUFT-MUAVYFROSA-N 2 2 488.632 4.402 20 0 JIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787374 721432933 /nfs/dbraw/zinc/43/29/33/721432933.db2.gz QMTNNCXIFIQSAA-RTBURBONSA-N 2 2 476.675 4.445 20 0 JIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001165021986 721841508 /nfs/dbraw/zinc/84/15/08/721841508.db2.gz LEFBJWKLAUGCJW-UHFFFAOYSA-N 2 2 459.034 4.449 20 0 JIADLP CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCCNc1cccc[nH+]1 ZINC001359540278 1069837756 /nfs/dbraw/zinc/83/77/56/1069837756.db2.gz OXYJAJPKCSPZFK-UHFFFAOYSA-N 2 2 453.679 4.466 20 0 JIADLP CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1)[NH+]1CCOCC1 ZINC001359664088 1070289650 /nfs/dbraw/zinc/28/96/50/1070289650.db2.gz ZIRVMRDFVHSWKJ-FYYLOGMGSA-N 2 2 488.746 4.168 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001315515452 1064462276 /nfs/dbraw/zinc/46/22/76/1064462276.db2.gz MNPYBBNTXPRWJM-NRFANRHFSA-N 2 2 472.653 4.136 20 0 JIADLP COc1cc[nH+]cc1Cn1c(-c2ccc(Br)s2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001315669827 1064897381 /nfs/dbraw/zinc/89/73/81/1064897381.db2.gz OBSGBZVRTGKUOM-UHFFFAOYSA-N 2 2 491.459 4.188 20 0 JIADLP C[NH+]1CCN(c2ccccc2CNC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC001338741072 1066569892 /nfs/dbraw/zinc/56/98/92/1066569892.db2.gz AYENOHFFDABNDG-UHFFFAOYSA-N 2 2 490.479 4.209 20 0 JIADLP Cc1cc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1N1CC[NH+](C)CC1 ZINC001317831265 1066716833 /nfs/dbraw/zinc/71/68/33/1066716833.db2.gz ZKSZJWJVIHPFNY-QHCPKHFHSA-N 2 2 474.024 4.498 20 0 JIADLP COc1c(Br)cc(Br)cc1C[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001318372287 1067033701 /nfs/dbraw/zinc/03/37/01/1067033701.db2.gz OGYOFWVLDBGKOR-UHFFFAOYSA-N 2 2 497.275 4.257 20 0 JIADLP COc1c(Br)cc(Br)cc1C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001318372287 1067033715 /nfs/dbraw/zinc/03/37/15/1067033715.db2.gz OGYOFWVLDBGKOR-UHFFFAOYSA-N 2 2 497.275 4.257 20 0 JIADLP COc1ccc(CCNC(=[NH2+])NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1OC ZINC000849062261 1067791556 /nfs/dbraw/zinc/79/15/56/1067791556.db2.gz XQDRJWYGBGQCDH-JOCHJYFZSA-N 2 2 464.635 4.221 20 0 JIADLP COc1ccc(CCNC(=[NH2+])NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1OC ZINC000849062261 1067791571 /nfs/dbraw/zinc/79/15/71/1067791571.db2.gz XQDRJWYGBGQCDH-JOCHJYFZSA-N 2 2 464.635 4.221 20 0 JIADLP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495396 1069065765 /nfs/dbraw/zinc/06/57/65/1069065765.db2.gz CKKGXWQULIXXTD-JTHBVZDNSA-N 2 2 498.096 4.182 20 0 JIADLP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495396 1069065769 /nfs/dbraw/zinc/06/57/69/1069065769.db2.gz CKKGXWQULIXXTD-JTHBVZDNSA-N 2 2 498.096 4.182 20 0 JIADLP CC(C)N(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)c1ncnc2c1CC[NH2+]CC2 ZINC001164662041 719344776 /nfs/dbraw/zinc/34/47/76/719344776.db2.gz MSXSIDNOWAGSHL-UHFFFAOYSA-N 2 2 477.682 4.191 20 0 JIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c2C[NH+](Cc2ccccc2)CC4)CC3)cs1 ZINC001164691474 719805279 /nfs/dbraw/zinc/80/52/79/719805279.db2.gz HXPWESPIVBAMEJ-UHFFFAOYSA-N 2 2 474.678 4.435 20 0 JIADLP Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2C[NH+](Cc2ccccc2)CC4)CC3)cs1 ZINC001164691474 719805281 /nfs/dbraw/zinc/80/52/81/719805281.db2.gz HXPWESPIVBAMEJ-UHFFFAOYSA-N 2 2 474.678 4.435 20 0 JIADLP Cc1nc(C[NH+]2CCCC23CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)CC3)cs1 ZINC001164691474 719805282 /nfs/dbraw/zinc/80/52/82/719805282.db2.gz HXPWESPIVBAMEJ-UHFFFAOYSA-N 2 2 474.678 4.435 20 0 JIADLP Cc1nc(C[NH+]2CCCC23CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)CC3)cs1 ZINC001164691474 719805285 /nfs/dbraw/zinc/80/52/85/719805285.db2.gz HXPWESPIVBAMEJ-UHFFFAOYSA-N 2 2 474.678 4.435 20 0 JIADLP COc1cc2[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749984 720932432 /nfs/dbraw/zinc/93/24/32/720932432.db2.gz IRCXSRXRYGVUFT-BTYSJIOQSA-N 2 2 488.632 4.402 20 0 JIADLP COc1cc2[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749984 720932438 /nfs/dbraw/zinc/93/24/38/720932438.db2.gz IRCXSRXRYGVUFT-BTYSJIOQSA-N 2 2 488.632 4.402 20 0 JIADLP COc1cc2cc[nH+]c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2cc1F ZINC001164779892 721374993 /nfs/dbraw/zinc/37/49/93/721374993.db2.gz DFMWMCWIGCIUCF-VWLOTQADSA-N 2 2 454.546 4.106 20 0 JIADLP COc1cc2cc[nH+]c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2cc1F ZINC001164779892 721375000 /nfs/dbraw/zinc/37/50/00/721375000.db2.gz DFMWMCWIGCIUCF-VWLOTQADSA-N 2 2 454.546 4.106 20 0 JIADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164790220 721426698 /nfs/dbraw/zinc/42/66/98/721426698.db2.gz XFTXMFVGDVMVRD-ROUUACIJSA-N 2 2 456.685 4.175 20 0 JIADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164909144 721733053 /nfs/dbraw/zinc/73/30/53/721733053.db2.gz CKDUAUCDRLUIPU-SANMLTNESA-N 2 2 494.590 4.254 20 0 JIADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164909144 721733058 /nfs/dbraw/zinc/73/30/58/721733058.db2.gz CKDUAUCDRLUIPU-SANMLTNESA-N 2 2 494.590 4.254 20 0 JIADLP CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)[NH+]1CCCC1 ZINC001359664108 1070291148 /nfs/dbraw/zinc/29/11/48/1070291148.db2.gz ZRGOTEQGXSXXOI-JOCHJYFZSA-N 2 2 453.679 4.011 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001315515687 1064463404 /nfs/dbraw/zinc/46/34/04/1064463404.db2.gz QNNUVRSINRSWKT-OAQYLSRUSA-N 2 2 486.680 4.166 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300695079 1067050960 /nfs/dbraw/zinc/05/09/60/1067050960.db2.gz KHZHUHRAXWTUPI-UHFFFAOYSA-N 2 2 462.642 4.216 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300695079 1067050972 /nfs/dbraw/zinc/05/09/72/1067050972.db2.gz KHZHUHRAXWTUPI-UHFFFAOYSA-N 2 2 462.642 4.216 20 0 JIADLP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCc2cccc(C)[nH+]2)c(OC)c1 ZINC001300044051 1067485760 /nfs/dbraw/zinc/48/57/60/1067485760.db2.gz LWXFNLRFYZRFNF-UHFFFAOYSA-N 2 2 478.641 4.265 20 0 JIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000622340125 1068361027 /nfs/dbraw/zinc/36/10/27/1068361027.db2.gz OJQKJFWXYXTADG-LJQANCHMSA-N 2 2 476.600 4.169 20 0 JIADLP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499305 1069069464 /nfs/dbraw/zinc/06/94/64/1069069464.db2.gz VDXRKXZATNJCRW-RPWUZVMVSA-N 2 2 498.096 4.182 20 0 JIADLP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499305 1069069470 /nfs/dbraw/zinc/06/94/70/1069069470.db2.gz VDXRKXZATNJCRW-RPWUZVMVSA-N 2 2 498.096 4.182 20 0 JIADLP CC(C)[N@H+](C)Cc1nn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)c2c1CC[NH2+]C2 ZINC001164679576 719640517 /nfs/dbraw/zinc/64/05/17/719640517.db2.gz HUDWVLQPCDXGLA-GOSISDBHSA-N 3 2 493.725 4.084 20 0 JIADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)c2c1CC[NH2+]C2 ZINC001164679576 719640520 /nfs/dbraw/zinc/64/05/20/719640520.db2.gz HUDWVLQPCDXGLA-GOSISDBHSA-N 3 2 493.725 4.084 20 0 JIADLP CC(C)[N@H+](C)Cc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)c2c1CC[NH2+]C2 ZINC001164679576 719640524 /nfs/dbraw/zinc/64/05/24/719640524.db2.gz HUDWVLQPCDXGLA-GOSISDBHSA-N 2 2 493.725 4.084 20 0 JIADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)c2c1CC[NH2+]C2 ZINC001164679576 719640529 /nfs/dbraw/zinc/64/05/29/719640529.db2.gz HUDWVLQPCDXGLA-GOSISDBHSA-N 2 2 493.725 4.084 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(c3ncccc3F)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164692140 719761016 /nfs/dbraw/zinc/76/10/16/719761016.db2.gz RZVVYGABILZVRJ-SIBVEZHUSA-N 2 2 496.656 4.487 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(c3ncccc3F)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164692134 719761278 /nfs/dbraw/zinc/76/12/78/719761278.db2.gz RZVVYGABILZVRJ-AFMDSPMNSA-N 2 2 496.656 4.487 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164748021 720847246 /nfs/dbraw/zinc/84/72/46/720847246.db2.gz SHMJLKAFHIBDQI-JIMJEQGWSA-N 2 2 496.663 4.067 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164748021 720847249 /nfs/dbraw/zinc/84/72/49/720847249.db2.gz SHMJLKAFHIBDQI-JIMJEQGWSA-N 2 2 496.663 4.067 20 0 JIADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3cc(OC)c(F)cc31)CC2 ZINC001164786260 721471306 /nfs/dbraw/zinc/47/13/06/721471306.db2.gz ABPDLPOISCUOQK-OAQYLSRUSA-N 2 2 457.590 4.116 20 0 JIADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3cc(OC)c(F)cc31)CC2 ZINC001164786260 721471308 /nfs/dbraw/zinc/47/13/08/721471308.db2.gz ABPDLPOISCUOQK-OAQYLSRUSA-N 2 2 457.590 4.116 20 0 JIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001165022153 721804011 /nfs/dbraw/zinc/80/40/11/721804011.db2.gz IAZINRDLQCRNRL-FKIGELJASA-N 2 2 468.649 4.167 20 0 JIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001165022153 721804013 /nfs/dbraw/zinc/80/40/13/721804013.db2.gz IAZINRDLQCRNRL-FKIGELJASA-N 2 2 468.649 4.167 20 0 JIADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001165022153 721804016 /nfs/dbraw/zinc/80/40/16/721804016.db2.gz IAZINRDLQCRNRL-FKIGELJASA-N 2 2 468.649 4.167 20 0 JIADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001165022153 721804018 /nfs/dbraw/zinc/80/40/18/721804018.db2.gz IAZINRDLQCRNRL-FKIGELJASA-N 2 2 468.649 4.167 20 0 JIADLP CC(C)[C@H](Cn1c(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359665782 1070298121 /nfs/dbraw/zinc/29/81/21/1070298121.db2.gz GJKFAMQXWSRJDN-FCHUYYIVSA-N 2 2 488.746 4.267 20 0 JIADLP CC(C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001359679271 1070334713 /nfs/dbraw/zinc/33/47/13/1070334713.db2.gz CPIYUBYFGYSXGA-JOCHJYFZSA-N 2 2 477.097 4.152 20 0 JIADLP COc1cc[nH+]cc1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001315673275 1064905863 /nfs/dbraw/zinc/90/58/63/1064905863.db2.gz XPYMIDWPGACUOZ-UHFFFAOYSA-N 2 2 492.668 4.482 20 0 JIADLP COc1cc[nH+]cc1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001315673275 1064905872 /nfs/dbraw/zinc/90/58/72/1064905872.db2.gz XPYMIDWPGACUOZ-UHFFFAOYSA-N 2 2 492.668 4.482 20 0 JIADLP COc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)COc3ccc(Cl)cc3Br)CC2)c1 ZINC001336957601 1066452785 /nfs/dbraw/zinc/45/27/85/1066452785.db2.gz WGPLDSABWBXTCN-IBGZPJMESA-N 2 2 483.834 4.105 20 0 JIADLP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)cc2)C[C@H](C)O1 ZINC001338430459 1066554766 /nfs/dbraw/zinc/55/47/66/1066554766.db2.gz QZHIWOTUUSMYRL-PMACEKPBSA-N 2 2 461.610 4.410 20 0 JIADLP CC[NH+](CC)C1CCN(C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC001321636153 1067185290 /nfs/dbraw/zinc/18/52/90/1067185290.db2.gz BQFOULFMEXCHHI-UHFFFAOYSA-N 2 2 470.061 4.004 20 0 JIADLP C[C@H](c1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1)[NH+]1CCOCC1 ZINC001200122750 1067685826 /nfs/dbraw/zinc/68/58/26/1067685826.db2.gz VWDPFZUKDCBTBO-GOSISDBHSA-N 2 2 458.553 4.144 20 0 JIADLP COc1ccc(C[NH+]2CCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@H+](CC(C)C)C3)CC2)cc1F ZINC001300230332 1067907087 /nfs/dbraw/zinc/90/70/87/1067907087.db2.gz GQQFNYFJQJZTJW-HSZRJFAPSA-N 2 2 486.680 4.239 20 0 JIADLP COc1ccc(C[NH+]2CCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@@H+](CC(C)C)C3)CC2)cc1F ZINC001300230332 1067907110 /nfs/dbraw/zinc/90/71/10/1067907110.db2.gz GQQFNYFJQJZTJW-HSZRJFAPSA-N 2 2 486.680 4.239 20 0 JIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164662791 719348030 /nfs/dbraw/zinc/34/80/30/719348030.db2.gz AERNSIPBNBPPQB-UHFFFAOYSA-N 2 2 492.071 4.292 20 0 JIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164662791 719348035 /nfs/dbraw/zinc/34/80/35/719348035.db2.gz AERNSIPBNBPPQB-UHFFFAOYSA-N 2 2 492.071 4.292 20 0 JIADLP c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734823 720437328 /nfs/dbraw/zinc/43/73/28/720437328.db2.gz UZDSJTGWVYMDEU-VXKWHMMOSA-N 2 2 474.678 4.414 20 0 JIADLP c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734823 720437331 /nfs/dbraw/zinc/43/73/31/720437331.db2.gz UZDSJTGWVYMDEU-VXKWHMMOSA-N 2 2 474.678 4.414 20 0 JIADLP c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734821 720438917 /nfs/dbraw/zinc/43/89/17/720438917.db2.gz UZDSJTGWVYMDEU-FCHUYYIVSA-N 2 2 474.678 4.414 20 0 JIADLP c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734821 720438927 /nfs/dbraw/zinc/43/89/27/720438927.db2.gz UZDSJTGWVYMDEU-FCHUYYIVSA-N 2 2 474.678 4.414 20 0 JIADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)CC2 ZINC001164841722 720669153 /nfs/dbraw/zinc/66/91/53/720669153.db2.gz PRZQTKZYCVQHQM-AREMUKBSSA-N 2 2 483.660 4.295 20 0 JIADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)CC2 ZINC001164841722 720669161 /nfs/dbraw/zinc/66/91/61/720669161.db2.gz PRZQTKZYCVQHQM-AREMUKBSSA-N 2 2 483.660 4.295 20 0 JIADLP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164841722 720669169 /nfs/dbraw/zinc/66/91/69/720669169.db2.gz PRZQTKZYCVQHQM-AREMUKBSSA-N 2 2 483.660 4.295 20 0 JIADLP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164841722 720669176 /nfs/dbraw/zinc/66/91/76/720669176.db2.gz PRZQTKZYCVQHQM-AREMUKBSSA-N 2 2 483.660 4.295 20 0 JIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164779744 721353395 /nfs/dbraw/zinc/35/33/95/721353395.db2.gz VJCNCCJKHGNVDZ-NDEPHWFRSA-N 2 2 486.620 4.203 20 0 JIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164779744 721353400 /nfs/dbraw/zinc/35/34/00/721353400.db2.gz VJCNCCJKHGNVDZ-NDEPHWFRSA-N 2 2 486.620 4.203 20 0 JIADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)c23)C1 ZINC001164782744 721427254 /nfs/dbraw/zinc/42/72/54/721427254.db2.gz HRCJPXJKLFXEFU-QRVBRYPASA-N 2 2 494.734 4.437 20 0 JIADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)c23)C1 ZINC001164782744 721427256 /nfs/dbraw/zinc/42/72/56/721427256.db2.gz HRCJPXJKLFXEFU-QRVBRYPASA-N 2 2 494.734 4.437 20 0 JIADLP CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001359545844 1069849106 /nfs/dbraw/zinc/84/91/06/1069849106.db2.gz HSHIAPFYGOOXRY-UHFFFAOYSA-N 2 2 453.679 4.177 20 0 JIADLP CC(C)[C@@H](Cn1c(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359665783 1070298281 /nfs/dbraw/zinc/29/82/81/1070298281.db2.gz GJKFAMQXWSRJDN-FGZHOGPDSA-N 2 2 488.746 4.267 20 0 JIADLP CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359679660 1070334790 /nfs/dbraw/zinc/33/47/90/1070334790.db2.gz PBPDZUUWGYZCCC-FCHUYYIVSA-N 2 2 474.719 4.093 20 0 JIADLP CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359679660 1070334814 /nfs/dbraw/zinc/33/48/14/1070334814.db2.gz PBPDZUUWGYZCCC-FCHUYYIVSA-N 2 2 474.719 4.093 20 0 JIADLP COc1ccc([C@@H](CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)[NH+]2CCCCC2)cc1 ZINC000622280321 1068360548 /nfs/dbraw/zinc/36/05/48/1068360548.db2.gz SRDMGRMYZZYTIQ-RUZDIDTESA-N 2 2 459.594 4.363 20 0 JIADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCCCC34CC[NH2+]CC4)c2c1C ZINC001164420203 718912135 /nfs/dbraw/zinc/91/21/35/718912135.db2.gz HIOFQEHYEFIGLY-UHFFFAOYSA-N 2 2 471.671 4.275 20 0 JIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(N3CCCC3)cc(C)[nH+]1)CC2 ZINC001164662131 719344797 /nfs/dbraw/zinc/34/47/97/719344797.db2.gz NQAQGASNVILNHO-UHFFFAOYSA-N 2 2 457.626 4.080 20 0 JIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(N3CCCC3)cc(C)[nH+]1)CC2 ZINC001164662131 719344804 /nfs/dbraw/zinc/34/48/04/719344804.db2.gz NQAQGASNVILNHO-UHFFFAOYSA-N 2 2 457.626 4.080 20 0 JIADLP CC(C)[N@H+](C)Cc1nn(-c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164679457 719638801 /nfs/dbraw/zinc/63/88/01/719638801.db2.gz BBBDKDNVYJYADJ-UHFFFAOYSA-N 3 2 493.725 4.084 20 0 JIADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164679457 719638808 /nfs/dbraw/zinc/63/88/08/719638808.db2.gz BBBDKDNVYJYADJ-UHFFFAOYSA-N 3 2 493.725 4.084 20 0 JIADLP CC(C)[N@H+](C)Cc1nn(-c2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164679457 719638812 /nfs/dbraw/zinc/63/88/12/719638812.db2.gz BBBDKDNVYJYADJ-UHFFFAOYSA-N 2 2 493.725 4.084 20 0 JIADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164679457 719638816 /nfs/dbraw/zinc/63/88/16/719638816.db2.gz BBBDKDNVYJYADJ-UHFFFAOYSA-N 2 2 493.725 4.084 20 0 JIADLP Cc1cc(Cl)c(C)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1 ZINC001164681916 719670905 /nfs/dbraw/zinc/67/09/05/719670905.db2.gz OHIZWJYLKUJLKP-FQEVSTJZSA-N 2 2 455.046 4.445 20 0 JIADLP CCSc1cc[nH+]c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164687181 719681237 /nfs/dbraw/zinc/68/12/37/719681237.db2.gz QNHISOPWUGBRLO-FQEVSTJZSA-N 2 2 452.668 4.287 20 0 JIADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3cc(OC)c(F)cc31)CC2 ZINC001164711765 720154608 /nfs/dbraw/zinc/15/46/08/720154608.db2.gz JXUBLRIHZQEMHH-OAQYLSRUSA-N 2 2 450.558 4.285 20 0 JIADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3cc(OC)c(F)cc31)CC2 ZINC001164711765 720154612 /nfs/dbraw/zinc/15/46/12/720154612.db2.gz JXUBLRIHZQEMHH-OAQYLSRUSA-N 2 2 450.558 4.285 20 0 JIADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819158 720168332 /nfs/dbraw/zinc/16/83/32/720168332.db2.gz WGSAFQHJMQKUQF-UFHPHHKVSA-N 2 2 459.638 4.281 20 0 JIADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819158 720168336 /nfs/dbraw/zinc/16/83/36/720168336.db2.gz WGSAFQHJMQKUQF-UFHPHHKVSA-N 2 2 459.638 4.281 20 0 JIADLP CCCN(CCC)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc[nH+]1 ZINC001164757485 720898577 /nfs/dbraw/zinc/89/85/77/720898577.db2.gz VDLHZUYJKTXXOU-LSYYVWMOSA-N 2 2 478.685 4.253 20 0 JIADLP CCCN(CCC)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc[nH+]1 ZINC001164757485 720898579 /nfs/dbraw/zinc/89/85/79/720898579.db2.gz VDLHZUYJKTXXOU-LSYYVWMOSA-N 2 2 478.685 4.253 20 0 JIADLP CCCN(CCC)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc[nH+]1 ZINC001164757484 720898936 /nfs/dbraw/zinc/89/89/36/720898936.db2.gz VDLHZUYJKTXXOU-LEAFIULHSA-N 2 2 478.685 4.253 20 0 JIADLP CCCN(CCC)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc[nH+]1 ZINC001164757484 720898939 /nfs/dbraw/zinc/89/89/39/720898939.db2.gz VDLHZUYJKTXXOU-LEAFIULHSA-N 2 2 478.685 4.253 20 0 JIADLP Clc1ncc2c(c1N1CC[NH+](C[C@H]3CCCO3)CC1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001165039217 721916190 /nfs/dbraw/zinc/91/61/90/721916190.db2.gz RKKGKZUKGNHIJP-JOCHJYFZSA-N 2 2 483.056 4.058 20 0 JIADLP COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)CC2)cc1F ZINC001315505317 1064418513 /nfs/dbraw/zinc/41/85/13/1064418513.db2.gz RYPJGVKNYOBBBU-QFIPXVFZSA-N 2 2 486.680 4.069 20 0 JIADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)C2)ccn1 ZINC001331303709 1066358119 /nfs/dbraw/zinc/35/81/19/1066358119.db2.gz YSGMBMUKZBRFRI-DEOSSOPVSA-N 2 2 491.661 4.008 20 0 JIADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)C2)ccn1 ZINC001331303709 1066358129 /nfs/dbraw/zinc/35/81/29/1066358129.db2.gz YSGMBMUKZBRFRI-DEOSSOPVSA-N 2 2 491.661 4.008 20 0 JIADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)C2)ccn1 ZINC001331303709 1066358142 /nfs/dbraw/zinc/35/81/42/1066358142.db2.gz YSGMBMUKZBRFRI-DEOSSOPVSA-N 2 2 491.661 4.008 20 0 JIADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)C2)ccn1 ZINC001331303709 1066358154 /nfs/dbraw/zinc/35/81/54/1066358154.db2.gz YSGMBMUKZBRFRI-DEOSSOPVSA-N 2 2 491.661 4.008 20 0 JIADLP CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc(C(=O)OC)cc4)c(C)[nH+]3)CC2)CC1 ZINC001164617362 719031029 /nfs/dbraw/zinc/03/10/29/719031029.db2.gz KOCAGHKNJIPPMV-UHFFFAOYSA-N 2 2 465.594 4.088 20 0 JIADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]cnc4c3c(C)c(C)n4Cc3ccccc3)CC2)CC1 ZINC001164618654 719031838 /nfs/dbraw/zinc/03/18/38/719031838.db2.gz XOHRJZHCLHBCRO-UHFFFAOYSA-N 2 2 475.637 4.340 20 0 JIADLP O=C(c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164628976 719087014 /nfs/dbraw/zinc/08/70/14/719087014.db2.gz PHHHQGBGBFBLEC-YTMVLYRLSA-N 2 2 495.671 4.140 20 0 JIADLP O=C(c1cccnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164628976 719087018 /nfs/dbraw/zinc/08/70/18/719087018.db2.gz PHHHQGBGBFBLEC-YTMVLYRLSA-N 2 2 495.671 4.140 20 0 JIADLP Fc1cccc(N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164649184 719296757 /nfs/dbraw/zinc/29/67/57/719296757.db2.gz HGFVPYXZJOPVTR-RBJSKKJNSA-N 2 2 473.596 4.223 20 0 JIADLP Fc1cccc(N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164649184 719296761 /nfs/dbraw/zinc/29/67/61/719296761.db2.gz HGFVPYXZJOPVTR-RBJSKKJNSA-N 2 2 473.596 4.223 20 0 JIADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]cnc3c1c(-c1ccccc1)cn3-c1ccccc1)CC2 ZINC001164689349 719740081 /nfs/dbraw/zinc/74/00/81/719740081.db2.gz CCBYCCYNOZZMMH-UHFFFAOYSA-N 2 2 480.616 4.268 20 0 JIADLP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]cnc3c1c(-c1ccccc1)cn3-c1ccccc1)CC2 ZINC001164689349 719740090 /nfs/dbraw/zinc/74/00/90/719740090.db2.gz CCBYCCYNOZZMMH-UHFFFAOYSA-N 2 2 480.616 4.268 20 0 JIADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(SCc3ccccc3)cc[nH+]2)CC1 ZINC001164829190 720343761 /nfs/dbraw/zinc/34/37/61/720343761.db2.gz QWCPMNCHXQUOGF-ZEQRLZLVSA-N 2 2 450.652 4.285 20 0 JIADLP c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734824 720440986 /nfs/dbraw/zinc/44/09/86/720440986.db2.gz UZDSJTGWVYMDEU-YADHBBJMSA-N 2 2 474.678 4.414 20 0 JIADLP c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734824 720440995 /nfs/dbraw/zinc/44/09/95/720440995.db2.gz UZDSJTGWVYMDEU-YADHBBJMSA-N 2 2 474.678 4.414 20 0 JIADLP COc1ccc2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164750932 720899796 /nfs/dbraw/zinc/89/97/96/720899796.db2.gz CGTJOKQKGIKQOR-CUBQBAPOSA-N 2 2 458.606 4.394 20 0 JIADLP COc1ccc2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164750932 720899797 /nfs/dbraw/zinc/89/97/97/720899797.db2.gz CGTJOKQKGIKQOR-CUBQBAPOSA-N 2 2 458.606 4.394 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1C ZINC001164791108 721426694 /nfs/dbraw/zinc/42/66/94/721426694.db2.gz ZQIURYZGLPVUHS-OALUTQOASA-N 2 2 468.696 4.319 20 0 JIADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3cc(OC)c(F)cc31)CC2 ZINC001164786255 721471244 /nfs/dbraw/zinc/47/12/44/721471244.db2.gz ABPDLPOISCUOQK-NRFANRHFSA-N 2 2 457.590 4.116 20 0 JIADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3cc(OC)c(F)cc31)CC2 ZINC001164786255 721471245 /nfs/dbraw/zinc/47/12/45/721471245.db2.gz ABPDLPOISCUOQK-NRFANRHFSA-N 2 2 457.590 4.116 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1C ZINC001164806264 721577662 /nfs/dbraw/zinc/57/76/62/721577662.db2.gz MQVRPUHEKHZEKL-SLSDLSHTSA-N 2 2 492.693 4.167 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1C ZINC001164806264 721577664 /nfs/dbraw/zinc/57/76/64/721577664.db2.gz MQVRPUHEKHZEKL-SLSDLSHTSA-N 2 2 492.693 4.167 20 0 JIADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907382 721705036 /nfs/dbraw/zinc/70/50/36/721705036.db2.gz RIWLCJTUKWDGAB-VWLOTQADSA-N 2 2 498.578 4.111 20 0 JIADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907382 721705044 /nfs/dbraw/zinc/70/50/44/721705044.db2.gz RIWLCJTUKWDGAB-VWLOTQADSA-N 2 2 498.578 4.111 20 0 JIADLP CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359679661 1070335077 /nfs/dbraw/zinc/33/50/77/1070335077.db2.gz PBPDZUUWGYZCCC-FGZHOGPDSA-N 2 2 474.719 4.093 20 0 JIADLP CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359679661 1070335091 /nfs/dbraw/zinc/33/50/91/1070335091.db2.gz PBPDZUUWGYZCCC-FGZHOGPDSA-N 2 2 474.719 4.093 20 0 JIADLP COc1ccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H](C)C[NH+]3CCCCC3)CC2)cc1F ZINC001315505316 1064418708 /nfs/dbraw/zinc/41/87/08/1064418708.db2.gz RYPJGVKNYOBBBU-JOCHJYFZSA-N 2 2 486.680 4.069 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001300247523 1067979553 /nfs/dbraw/zinc/97/95/53/1067979553.db2.gz MKQYUJMDRMENEA-UHFFFAOYSA-N 2 2 486.680 4.211 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001300247523 1067979561 /nfs/dbraw/zinc/97/95/61/1067979561.db2.gz MKQYUJMDRMENEA-UHFFFAOYSA-N 2 2 486.680 4.211 20 0 JIADLP CC(C)[N@H+](C)Cc1nn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)c2c1CC[NH2+]C2 ZINC001164679578 719640486 /nfs/dbraw/zinc/64/04/86/719640486.db2.gz HUDWVLQPCDXGLA-SFHVURJKSA-N 3 2 493.725 4.084 20 0 JIADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)c2c1CC[NH2+]C2 ZINC001164679578 719640496 /nfs/dbraw/zinc/64/04/96/719640496.db2.gz HUDWVLQPCDXGLA-SFHVURJKSA-N 3 2 493.725 4.084 20 0 JIADLP CC(C)[N@H+](C)Cc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)c2c1CC[NH2+]C2 ZINC001164679578 719640500 /nfs/dbraw/zinc/64/05/00/719640500.db2.gz HUDWVLQPCDXGLA-SFHVURJKSA-N 2 2 493.725 4.084 20 0 JIADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)c2c1CC[NH2+]C2 ZINC001164679578 719640504 /nfs/dbraw/zinc/64/05/04/719640504.db2.gz HUDWVLQPCDXGLA-SFHVURJKSA-N 2 2 493.725 4.084 20 0 JIADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC001164734193 720524687 /nfs/dbraw/zinc/52/46/87/720524687.db2.gz NQFRUOGLINRNHJ-NRFANRHFSA-N 2 2 463.589 4.482 20 0 JIADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)CC2 ZINC001164841727 720667575 /nfs/dbraw/zinc/66/75/75/720667575.db2.gz PRZQTKZYCVQHQM-SANMLTNESA-N 2 2 483.660 4.295 20 0 JIADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)CC2 ZINC001164841727 720667589 /nfs/dbraw/zinc/66/75/89/720667589.db2.gz PRZQTKZYCVQHQM-SANMLTNESA-N 2 2 483.660 4.295 20 0 JIADLP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164841727 720667596 /nfs/dbraw/zinc/66/75/96/720667596.db2.gz PRZQTKZYCVQHQM-SANMLTNESA-N 2 2 483.660 4.295 20 0 JIADLP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164841727 720667608 /nfs/dbraw/zinc/66/76/08/720667608.db2.gz PRZQTKZYCVQHQM-SANMLTNESA-N 2 2 483.660 4.295 20 0 JIADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164761963 721226003 /nfs/dbraw/zinc/22/60/03/721226003.db2.gz BFLPUECPZNWFBC-FGZHOGPDSA-N 2 2 487.677 4.112 20 0 JIADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164761963 721226007 /nfs/dbraw/zinc/22/60/07/721226007.db2.gz BFLPUECPZNWFBC-FGZHOGPDSA-N 2 2 487.677 4.112 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164791113 721426486 /nfs/dbraw/zinc/42/64/86/721426486.db2.gz ZQIURYZGLPVUHS-RTBURBONSA-N 2 2 468.696 4.319 20 0 JIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc3cc(OC)c(OC)cc3c[nH+]2)CC1 ZINC001165020484 721843760 /nfs/dbraw/zinc/84/37/60/721843760.db2.gz FBSFFKULRPQETC-UHFFFAOYSA-N 2 2 451.567 4.370 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001315515453 1064462384 /nfs/dbraw/zinc/46/23/84/1064462384.db2.gz MNPYBBNTXPRWJM-OAQYLSRUSA-N 2 2 472.653 4.136 20 0 JIADLP COc1cc[nH+]cc1Cn1c(-c2ccccc2F)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001300693153 1067043284 /nfs/dbraw/zinc/04/32/84/1067043284.db2.gz PHALTCRSABXANE-UHFFFAOYSA-N 2 2 452.578 4.093 20 0 JIADLP COc1cc[nH+]cc1Cn1c(-c2ccccc2F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300693153 1067043302 /nfs/dbraw/zinc/04/33/02/1067043302.db2.gz PHALTCRSABXANE-UHFFFAOYSA-N 2 2 452.578 4.093 20 0 JIADLP C[C@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001354157319 1068937850 /nfs/dbraw/zinc/93/78/50/1068937850.db2.gz RJLNSIGJRUYQAR-NEKDWFFYSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001354157319 1068937854 /nfs/dbraw/zinc/93/78/54/1068937854.db2.gz RJLNSIGJRUYQAR-NEKDWFFYSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@H](NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354157319 1068937859 /nfs/dbraw/zinc/93/78/59/1068937859.db2.gz RJLNSIGJRUYQAR-NEKDWFFYSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@H](NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354157319 1068937865 /nfs/dbraw/zinc/93/78/65/1068937865.db2.gz RJLNSIGJRUYQAR-NEKDWFFYSA-N 2 2 457.618 4.338 20 0 JIADLP Cc1ccccc1Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001492586307 1069002002 /nfs/dbraw/zinc/00/20/02/1069002002.db2.gz CNMGLCDJZUHSDA-UHFFFAOYSA-N 2 2 461.658 4.018 20 0 JIADLP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495393 1069065802 /nfs/dbraw/zinc/06/58/02/1069065802.db2.gz CKKGXWQULIXXTD-FYYLOGMGSA-N 2 2 498.096 4.182 20 0 JIADLP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495393 1069065808 /nfs/dbraw/zinc/06/58/08/1069065808.db2.gz CKKGXWQULIXXTD-FYYLOGMGSA-N 2 2 498.096 4.182 20 0 JIADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518291 1069105257 /nfs/dbraw/zinc/10/52/57/1069105257.db2.gz GNDFPMIJOOYJNF-VMPREFPWSA-N 2 2 496.659 4.462 20 0 JIADLP CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518291 1069105262 /nfs/dbraw/zinc/10/52/62/1069105262.db2.gz GNDFPMIJOOYJNF-VMPREFPWSA-N 2 2 496.659 4.462 20 0 JIADLP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000849520076 1069111639 /nfs/dbraw/zinc/11/16/39/1069111639.db2.gz XPMGDMQGAJHJAZ-SCTDOJESSA-N 2 2 492.067 4.043 20 0 JIADLP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000849520076 1069111688 /nfs/dbraw/zinc/11/16/88/1069111688.db2.gz XPMGDMQGAJHJAZ-SCTDOJESSA-N 2 2 492.067 4.043 20 0 JIADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c2c1C ZINC001164424040 718946163 /nfs/dbraw/zinc/94/61/63/718946163.db2.gz NGDKJJMLRZFSAJ-SFTDATJTSA-N 2 2 491.661 4.238 20 0 JIADLP COc1cc2c[nH+]c(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)cc2cc1OC ZINC001164673412 719525836 /nfs/dbraw/zinc/52/58/36/719525836.db2.gz SLOOOVDTBDSTIM-UHFFFAOYSA-N 2 2 451.542 4.263 20 0 JIADLP COc1cc2c[nH+]c(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)cc2cc1OC ZINC001164673412 719525841 /nfs/dbraw/zinc/52/58/41/719525841.db2.gz SLOOOVDTBDSTIM-UHFFFAOYSA-N 2 2 451.542 4.263 20 0 JIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C3CCCC3)C2)C1 ZINC001164779507 721353526 /nfs/dbraw/zinc/35/35/26/721353526.db2.gz UMODKVNFZNLOSW-AREMUKBSSA-N 2 2 464.614 4.270 20 0 JIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C3CCCC3)C2)C1 ZINC001164779507 721353529 /nfs/dbraw/zinc/35/35/29/721353529.db2.gz UMODKVNFZNLOSW-AREMUKBSSA-N 2 2 464.614 4.270 20 0 JIADLP COc1ccc2c(C)cc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)[nH+]c2c1 ZINC001164787069 721357680 /nfs/dbraw/zinc/35/76/80/721357680.db2.gz YFWULESUWFCLMV-AREMUKBSSA-N 2 2 450.583 4.276 20 0 JIADLP COc1ccc2c(C)cc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)[nH+]c2c1 ZINC001164787069 721357685 /nfs/dbraw/zinc/35/76/85/721357685.db2.gz YFWULESUWFCLMV-AREMUKBSSA-N 2 2 450.583 4.276 20 0 JIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)C[C@H]21 ZINC001165022156 721803769 /nfs/dbraw/zinc/80/37/69/721803769.db2.gz IAZINRDLQCRNRL-KSCKTEMCSA-N 2 2 468.649 4.167 20 0 JIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)C[C@H]21 ZINC001165022156 721803771 /nfs/dbraw/zinc/80/37/71/721803771.db2.gz IAZINRDLQCRNRL-KSCKTEMCSA-N 2 2 468.649 4.167 20 0 JIADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001165022156 721803773 /nfs/dbraw/zinc/80/37/73/721803773.db2.gz IAZINRDLQCRNRL-KSCKTEMCSA-N 2 2 468.649 4.167 20 0 JIADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001165022156 721803775 /nfs/dbraw/zinc/80/37/75/721803775.db2.gz IAZINRDLQCRNRL-KSCKTEMCSA-N 2 2 468.649 4.167 20 0 JIADLP CN(C)C(=O)c1cc2c[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2n1C1CCCC1 ZINC001164952056 722017389 /nfs/dbraw/zinc/01/73/89/722017389.db2.gz GOSBJWWCLCRYNX-UHFFFAOYSA-N 2 2 487.652 4.136 20 0 JIADLP CN(C)C(=O)c1cc2c[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2n1C1CCCC1 ZINC001164952056 722017391 /nfs/dbraw/zinc/01/73/91/722017391.db2.gz GOSBJWWCLCRYNX-UHFFFAOYSA-N 2 2 487.652 4.136 20 0 JIADLP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4c2C[NH+](Cc2ccccc2)CC4)C3)c1 ZINC001164993994 722194627 /nfs/dbraw/zinc/19/46/27/722194627.db2.gz KKHKQORNLFDEQQ-NDEPHWFRSA-N 2 2 457.597 4.419 20 0 JIADLP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4c2C[NH+](Cc2ccccc2)CC4)C3)c1 ZINC001164993994 722194631 /nfs/dbraw/zinc/19/46/31/722194631.db2.gz KKHKQORNLFDEQQ-NDEPHWFRSA-N 2 2 457.597 4.419 20 0 JIADLP Fc1cccc(C[NH+]2CC[C@]23CCCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)c1 ZINC001164993994 722194635 /nfs/dbraw/zinc/19/46/35/722194635.db2.gz KKHKQORNLFDEQQ-NDEPHWFRSA-N 2 2 457.597 4.419 20 0 JIADLP Fc1cccc(C[NH+]2CC[C@]23CCCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)c1 ZINC001164993994 722194637 /nfs/dbraw/zinc/19/46/37/722194637.db2.gz KKHKQORNLFDEQQ-NDEPHWFRSA-N 2 2 457.597 4.419 20 0 JIADLP COc1cccc(-c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001315560295 1064585787 /nfs/dbraw/zinc/58/57/87/1064585787.db2.gz RREFDISDDOWXML-UHFFFAOYSA-N 2 2 491.684 4.486 20 0 JIADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001317853687 1066734094 /nfs/dbraw/zinc/73/40/94/1066734094.db2.gz XFGSRFMPWNDQQY-PSWAGMNNSA-N 2 2 490.604 4.006 20 0 JIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001322612062 1067306666 /nfs/dbraw/zinc/30/66/66/1067306666.db2.gz YCDQQYORHWLJDM-UHFFFAOYSA-N 2 2 452.046 4.239 20 0 JIADLP c1csc(C[N@@H+]2CCOC3(CCN(c4[nH+]cnc5c4ccn5Cc4ccccc4)CC3)C2)c1 ZINC001164698353 719893489 /nfs/dbraw/zinc/89/34/89/719893489.db2.gz RVCPMYYNYOQPPR-UHFFFAOYSA-N 2 2 459.619 4.413 20 0 JIADLP c1csc(C[N@H+]2CCOC3(CCN(c4[nH+]cnc5c4ccn5Cc4ccccc4)CC3)C2)c1 ZINC001164698353 719893491 /nfs/dbraw/zinc/89/34/91/719893491.db2.gz RVCPMYYNYOQPPR-UHFFFAOYSA-N 2 2 459.619 4.413 20 0 JIADLP CCCN(CCC)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc[nH+]1 ZINC001164757483 720898880 /nfs/dbraw/zinc/89/88/80/720898880.db2.gz VDLHZUYJKTXXOU-LBNVMWSVSA-N 2 2 478.685 4.253 20 0 JIADLP CCCN(CCC)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc[nH+]1 ZINC001164757483 720898881 /nfs/dbraw/zinc/89/88/81/720898881.db2.gz VDLHZUYJKTXXOU-LBNVMWSVSA-N 2 2 478.685 4.253 20 0 JIADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)CC2 ZINC001164789252 721460014 /nfs/dbraw/zinc/46/00/14/721460014.db2.gz WBLPAIPMSUMDOY-JOCHJYFZSA-N 2 2 453.627 4.286 20 0 JIADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)CC2 ZINC001164789252 721460015 /nfs/dbraw/zinc/46/00/15/721460015.db2.gz WBLPAIPMSUMDOY-JOCHJYFZSA-N 2 2 453.627 4.286 20 0 JIADLP CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001359546214 1069849652 /nfs/dbraw/zinc/84/96/52/1069849652.db2.gz VDCRXZCYXSXZSB-DEOSSOPVSA-N 2 2 482.717 4.035 20 0 JIADLP CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001359546214 1069849654 /nfs/dbraw/zinc/84/96/54/1069849654.db2.gz VDCRXZCYXSXZSB-DEOSSOPVSA-N 2 2 482.717 4.035 20 0 JIADLP CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[NH+]1CCOCC1 ZINC001359664091 1070291050 /nfs/dbraw/zinc/29/10/50/1070291050.db2.gz ZIRVMRDFVHSWKJ-JTHBVZDNSA-N 2 2 488.746 4.168 20 0 JIADLP CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359678269 1070333303 /nfs/dbraw/zinc/33/33/03/1070333303.db2.gz ANEFNBZXYOWUDM-XUZZJYLKSA-N 2 2 461.658 4.400 20 0 JIADLP CC(C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359678269 1070333319 /nfs/dbraw/zinc/33/33/19/1070333319.db2.gz ANEFNBZXYOWUDM-XUZZJYLKSA-N 2 2 461.658 4.400 20 0 JIADLP COc1cc[nH+]cc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315671132 1064900236 /nfs/dbraw/zinc/90/02/36/1064900236.db2.gz AYOFVUZJTCGDOY-UHFFFAOYSA-N 2 2 469.033 4.285 20 0 JIADLP COc1cc[nH+]cc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001315671132 1064900251 /nfs/dbraw/zinc/90/02/51/1064900251.db2.gz AYOFVUZJTCGDOY-UHFFFAOYSA-N 2 2 469.033 4.285 20 0 JIADLP COCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@@H]1C ZINC001316138917 1065804675 /nfs/dbraw/zinc/80/46/75/1065804675.db2.gz XVCWECAMHSYFFR-GBXCKJPGSA-N 2 2 489.108 4.124 20 0 JIADLP COCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@@H]1C ZINC001316138917 1065804681 /nfs/dbraw/zinc/80/46/81/1065804681.db2.gz XVCWECAMHSYFFR-GBXCKJPGSA-N 2 2 489.108 4.124 20 0 JIADLP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCC[N@H+](Cc4ccc(C)cc4)CC3)c2c1C ZINC001317740699 1066659071 /nfs/dbraw/zinc/65/90/71/1066659071.db2.gz FYCSUHFIPRZNRD-UHFFFAOYSA-N 2 2 481.666 4.259 20 0 JIADLP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCC[N@@H+](Cc4ccc(C)cc4)CC3)c2c1C ZINC001317740699 1066659077 /nfs/dbraw/zinc/65/90/77/1066659077.db2.gz FYCSUHFIPRZNRD-UHFFFAOYSA-N 2 2 481.666 4.259 20 0 JIADLP CC[NH+](CC)[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(C(F)(F)F)c1 ZINC001349813380 1066885996 /nfs/dbraw/zinc/88/59/96/1066885996.db2.gz GTPIZILOBYQTCN-OAQYLSRUSA-N 2 2 455.565 4.240 20 0 JIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001318419015 1067039930 /nfs/dbraw/zinc/03/99/30/1067039930.db2.gz OWARTLIBGPHRGB-UHFFFAOYSA-N 2 2 482.470 4.289 20 0 JIADLP COc1ccc(C[NH+]2CCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@H+](CC(C)C)C3)CC2)cc1F ZINC001300230335 1067906848 /nfs/dbraw/zinc/90/68/48/1067906848.db2.gz GQQFNYFJQJZTJW-QHCPKHFHSA-N 2 2 486.680 4.239 20 0 JIADLP COc1ccc(C[NH+]2CCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@@H+](CC(C)C)C3)CC2)cc1F ZINC001300230335 1067906873 /nfs/dbraw/zinc/90/68/73/1067906873.db2.gz GQQFNYFJQJZTJW-QHCPKHFHSA-N 2 2 486.680 4.239 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001300245541 1067968453 /nfs/dbraw/zinc/96/84/53/1067968453.db2.gz RYXITMUEQBOFRI-UHFFFAOYSA-N 2 2 486.680 4.310 20 0 JIADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CCOCC1)c1ccccc1 ZINC001200661174 1069205915 /nfs/dbraw/zinc/20/59/15/1069205915.db2.gz JTISAFVLAJMWTM-JOCHJYFZSA-N 2 2 451.611 4.277 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)c2c1C ZINC001164637517 719267050 /nfs/dbraw/zinc/26/70/50/719267050.db2.gz LJLIKNRRMKTEAR-UHFFFAOYSA-N 2 2 490.637 4.056 20 0 JIADLP Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C(C)(C)C)[nH+]1 ZINC001164686844 719678718 /nfs/dbraw/zinc/67/87/18/719678718.db2.gz XRSILDILUGFSDU-NRFANRHFSA-N 2 2 463.670 4.176 20 0 JIADLP c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734822 720438375 /nfs/dbraw/zinc/43/83/75/720438375.db2.gz UZDSJTGWVYMDEU-FGZHOGPDSA-N 2 2 474.678 4.414 20 0 JIADLP c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734822 720438387 /nfs/dbraw/zinc/43/83/87/720438387.db2.gz UZDSJTGWVYMDEU-FGZHOGPDSA-N 2 2 474.678 4.414 20 0 JIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736282 720589407 /nfs/dbraw/zinc/58/94/07/720589407.db2.gz GPDTWPPAXYPBOF-UHFFFAOYSA-N 2 2 487.677 4.275 20 0 JIADLP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164839026 720739289 /nfs/dbraw/zinc/73/92/89/720739289.db2.gz ZXGNSHDWRKNVIN-UHFFFAOYSA-N 2 2 491.709 4.415 20 0 JIADLP COc1ccc2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164750935 720899912 /nfs/dbraw/zinc/89/99/12/720899912.db2.gz CGTJOKQKGIKQOR-RBJSKKJNSA-N 2 2 458.606 4.394 20 0 JIADLP COc1ccc2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164750935 720899915 /nfs/dbraw/zinc/89/99/15/720899915.db2.gz CGTJOKQKGIKQOR-RBJSKKJNSA-N 2 2 458.606 4.394 20 0 JIADLP COc1cc2[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749998 720933565 /nfs/dbraw/zinc/93/35/65/720933565.db2.gz IRCXSRXRYGVUFT-RNWIMVQKSA-N 2 2 488.632 4.402 20 0 JIADLP COc1cc2[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749998 720933577 /nfs/dbraw/zinc/93/35/77/720933577.db2.gz IRCXSRXRYGVUFT-RNWIMVQKSA-N 2 2 488.632 4.402 20 0 JIADLP c1csc(C[NH+]2C[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)n1 ZINC001164783602 721427351 /nfs/dbraw/zinc/42/73/51/721427351.db2.gz JBVIPDLRCQNQHS-ROUUACIJSA-N 2 2 480.707 4.191 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001300244874 1067963652 /nfs/dbraw/zinc/96/36/52/1067963652.db2.gz ATEFIUSJEUNBLR-UHFFFAOYSA-N 2 2 486.680 4.168 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001300244874 1067963682 /nfs/dbraw/zinc/96/36/82/1067963682.db2.gz ATEFIUSJEUNBLR-UHFFFAOYSA-N 2 2 486.680 4.168 20 0 JIADLP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC001200526332 1068823404 /nfs/dbraw/zinc/82/34/04/1068823404.db2.gz PBIDGLWJBBEEMS-UHFFFAOYSA-N 2 2 457.478 4.388 20 0 JIADLP COc1ccccc1-c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001300510229 1068886296 /nfs/dbraw/zinc/88/62/96/1068886296.db2.gz KDZGPDWZJDQNLB-UHFFFAOYSA-N 2 2 477.657 4.184 20 0 JIADLP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000849520073 1069112065 /nfs/dbraw/zinc/11/20/65/1069112065.db2.gz XPMGDMQGAJHJAZ-RMDSEJHCSA-N 2 2 492.067 4.043 20 0 JIADLP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000849520073 1069112070 /nfs/dbraw/zinc/11/20/70/1069112070.db2.gz XPMGDMQGAJHJAZ-RMDSEJHCSA-N 2 2 492.067 4.043 20 0 JIADLP O=C(c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164628974 719086897 /nfs/dbraw/zinc/08/68/97/719086897.db2.gz PHHHQGBGBFBLEC-PXJZQJOASA-N 2 2 495.671 4.140 20 0 JIADLP O=C(c1cccnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164628974 719086899 /nfs/dbraw/zinc/08/68/99/719086899.db2.gz PHHHQGBGBFBLEC-PXJZQJOASA-N 2 2 495.671 4.140 20 0 JIADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(SCc3ccccc3)cc[nH+]2)CC1 ZINC001164829187 720343628 /nfs/dbraw/zinc/34/36/28/720343628.db2.gz QWCPMNCHXQUOGF-RPWUZVMVSA-N 2 2 450.652 4.285 20 0 JIADLP COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH+]c2C)cc1 ZINC001164838271 720592689 /nfs/dbraw/zinc/59/26/89/720592689.db2.gz KNWAKXSJCPNGET-DGWZTRNLSA-N 2 2 473.621 4.418 20 0 JIADLP COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH+]c2C)cc1 ZINC001164838271 720592697 /nfs/dbraw/zinc/59/26/97/720592697.db2.gz KNWAKXSJCPNGET-DGWZTRNLSA-N 2 2 473.621 4.418 20 0 JIADLP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750181 720932451 /nfs/dbraw/zinc/93/24/51/720932451.db2.gz JQXDTBNTQHGSEC-DFHRPNOPSA-N 2 2 457.622 4.202 20 0 JIADLP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750181 720932456 /nfs/dbraw/zinc/93/24/56/720932456.db2.gz JQXDTBNTQHGSEC-DFHRPNOPSA-N 2 2 457.622 4.202 20 0 JIADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164761964 721225759 /nfs/dbraw/zinc/22/57/59/721225759.db2.gz BFLPUECPZNWFBC-VXKWHMMOSA-N 2 2 487.677 4.112 20 0 JIADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164761964 721225769 /nfs/dbraw/zinc/22/57/69/721225769.db2.gz BFLPUECPZNWFBC-VXKWHMMOSA-N 2 2 487.677 4.112 20 0 JIADLP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C3)n2)CCC4)CC1 ZINC001164787402 721426519 /nfs/dbraw/zinc/42/65/19/721426519.db2.gz QTLGESODPWMILL-RTBURBONSA-N 2 2 494.734 4.437 20 0 JIADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)cc2)C[C@@H](C)O1 ZINC001338430460 1066554466 /nfs/dbraw/zinc/55/44/66/1066554466.db2.gz QZHIWOTUUSMYRL-WOJBJXKFSA-N 2 2 461.610 4.410 20 0 JIADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001338756446 1066570889 /nfs/dbraw/zinc/57/08/89/1066570889.db2.gz PJHIQPHCGYHBCI-UHFFFAOYSA-N 2 2 456.009 4.070 20 0 JIADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)c2c1C ZINC001164424039 718945788 /nfs/dbraw/zinc/94/57/88/718945788.db2.gz NGDKJJMLRZFSAJ-RTWAWAEBSA-N 2 2 491.661 4.238 20 0 JIADLP Fc1cccc(N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164649188 719296427 /nfs/dbraw/zinc/29/64/27/719296427.db2.gz HGFVPYXZJOPVTR-YWEHKCAJSA-N 2 2 473.596 4.223 20 0 JIADLP Fc1cccc(N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164649188 719296430 /nfs/dbraw/zinc/29/64/30/719296430.db2.gz HGFVPYXZJOPVTR-YWEHKCAJSA-N 2 2 473.596 4.223 20 0 JIADLP CSCc1cc[nH+]c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164685668 719681831 /nfs/dbraw/zinc/68/18/31/719681831.db2.gz LOHQOHINPLPSRL-OAQYLSRUSA-N 2 2 452.668 4.038 20 0 JIADLP COc1cc2cc[nH+]c(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2cc1F ZINC001164686580 719683259 /nfs/dbraw/zinc/68/32/59/719683259.db2.gz OVSVUSHPSQTESD-OAQYLSRUSA-N 2 2 490.623 4.476 20 0 JIADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)CC2 ZINC001164710792 720152862 /nfs/dbraw/zinc/15/28/62/720152862.db2.gz CSENXEHRFRCCFZ-NRFANRHFSA-N 2 2 462.594 4.155 20 0 JIADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)CC2 ZINC001164710792 720152868 /nfs/dbraw/zinc/15/28/68/720152868.db2.gz CSENXEHRFRCCFZ-NRFANRHFSA-N 2 2 462.594 4.155 20 0 JIADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819146 720168110 /nfs/dbraw/zinc/16/81/10/720168110.db2.gz WGSAFQHJMQKUQF-RBJSKKJNSA-N 2 2 459.638 4.281 20 0 JIADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819146 720168119 /nfs/dbraw/zinc/16/81/19/720168119.db2.gz WGSAFQHJMQKUQF-RBJSKKJNSA-N 2 2 459.638 4.281 20 0 JIADLP COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH+]c2C)cc1 ZINC001164838267 720593515 /nfs/dbraw/zinc/59/35/15/720593515.db2.gz KNWAKXSJCPNGET-BFLUCZKCSA-N 2 2 473.621 4.418 20 0 JIADLP COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH+]c2C)cc1 ZINC001164838267 720593542 /nfs/dbraw/zinc/59/35/42/720593542.db2.gz KNWAKXSJCPNGET-BFLUCZKCSA-N 2 2 473.621 4.418 20 0 JIADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)nc[nH+]1)CC2 ZINC001164838997 720721667 /nfs/dbraw/zinc/72/16/67/720721667.db2.gz JZEYMVBUAOBJPN-MHZLTWQESA-N 2 2 498.675 4.063 20 0 JIADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)nc[nH+]1)CC2 ZINC001164838997 720721678 /nfs/dbraw/zinc/72/16/78/720721678.db2.gz JZEYMVBUAOBJPN-MHZLTWQESA-N 2 2 498.675 4.063 20 0 JIADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)CC2 ZINC001164838997 720721691 /nfs/dbraw/zinc/72/16/91/720721691.db2.gz JZEYMVBUAOBJPN-MHZLTWQESA-N 2 2 498.675 4.063 20 0 JIADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)CC2 ZINC001164838997 720721709 /nfs/dbraw/zinc/72/17/09/720721709.db2.gz JZEYMVBUAOBJPN-MHZLTWQESA-N 2 2 498.675 4.063 20 0 JIADLP c1csc(C[NH+]2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]3C2)n1 ZINC001164781333 721426781 /nfs/dbraw/zinc/42/67/81/721426781.db2.gz DERNTMJLQSLSPC-ROUUACIJSA-N 2 2 480.707 4.191 20 0 JIADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4C[NH+](Cc4ccccc4)CC5)CC3)C2)cc1 ZINC001164938952 721922702 /nfs/dbraw/zinc/92/27/02/721922702.db2.gz CYZBACHSVCUTEX-UHFFFAOYSA-N 2 2 483.660 4.215 20 0 JIADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4C[NH+](Cc4ccccc4)CC5)CC3)C2)cc1 ZINC001164938952 721922709 /nfs/dbraw/zinc/92/27/09/721922709.db2.gz CYZBACHSVCUTEX-UHFFFAOYSA-N 2 2 483.660 4.215 20 0 JIADLP Cc1ccc(C[NH+]2CCOC3(CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)CC3)C2)cc1 ZINC001164938952 721922711 /nfs/dbraw/zinc/92/27/11/721922711.db2.gz CYZBACHSVCUTEX-UHFFFAOYSA-N 2 2 483.660 4.215 20 0 JIADLP Cc1ccc(C[NH+]2CCOC3(CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)CC3)C2)cc1 ZINC001164938952 721922715 /nfs/dbraw/zinc/92/27/15/721922715.db2.gz CYZBACHSVCUTEX-UHFFFAOYSA-N 2 2 483.660 4.215 20 0 JIADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC([NH+](CC)CC)CC3)c2c1C ZINC001165054007 722005680 /nfs/dbraw/zinc/00/56/80/722005680.db2.gz WZVITJZIUAKUGP-UHFFFAOYSA-N 2 2 473.687 4.473 20 0 JIADLP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[NH+](CCc5ccccn5)CC3)n2)CCC4)CC1 ZINC001165056132 722017159 /nfs/dbraw/zinc/01/71/59/722017159.db2.gz WVYMKXRVLNSOLP-UHFFFAOYSA-N 2 2 476.694 4.172 20 0 JIADLP CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1)[NH+]1CCOCC1 ZINC001359664089 1070290088 /nfs/dbraw/zinc/29/00/88/1070290088.db2.gz ZIRVMRDFVHSWKJ-GGAORHGYSA-N 2 2 488.746 4.168 20 0 JIADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001332854134 1066379625 /nfs/dbraw/zinc/37/96/25/1066379625.db2.gz VCCOZSSWCXTTAK-OFNKIYASSA-N 2 2 478.662 4.013 20 0 JIADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001332854134 1066379649 /nfs/dbraw/zinc/37/96/49/1066379649.db2.gz VCCOZSSWCXTTAK-OFNKIYASSA-N 2 2 478.662 4.013 20 0 JIADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)cc2)C[C@H](C)O1 ZINC001338430458 1066554502 /nfs/dbraw/zinc/55/45/02/1066554502.db2.gz QZHIWOTUUSMYRL-BGYRXZFFSA-N 2 2 461.610 4.410 20 0 JIADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)cc2)C[C@H](C)O1 ZINC001338430458 1066554518 /nfs/dbraw/zinc/55/45/18/1066554518.db2.gz QZHIWOTUUSMYRL-BGYRXZFFSA-N 2 2 461.610 4.410 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001300245765 1067971054 /nfs/dbraw/zinc/97/10/54/1067971054.db2.gz ZUMPBCHHVLRNGJ-NRFANRHFSA-N 2 2 486.680 4.310 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001300245765 1067971082 /nfs/dbraw/zinc/97/10/82/1067971082.db2.gz ZUMPBCHHVLRNGJ-NRFANRHFSA-N 2 2 486.680 4.310 20 0 JIADLP O[C@H](C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)c1cccc(Br)c1 ZINC001474122287 1068356390 /nfs/dbraw/zinc/35/63/90/1068356390.db2.gz BZKYBPRHIMMFTE-LJQANCHMSA-N 2 2 450.764 4.201 20 0 JIADLP C[C@@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001354157321 1068937814 /nfs/dbraw/zinc/93/78/14/1068937814.db2.gz RJLNSIGJRUYQAR-QDPGVEIFSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001354157321 1068937823 /nfs/dbraw/zinc/93/78/23/1068937823.db2.gz RJLNSIGJRUYQAR-QDPGVEIFSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@@H](NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354157321 1068937827 /nfs/dbraw/zinc/93/78/27/1068937827.db2.gz RJLNSIGJRUYQAR-QDPGVEIFSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@@H](NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354157321 1068937832 /nfs/dbraw/zinc/93/78/32/1068937832.db2.gz RJLNSIGJRUYQAR-QDPGVEIFSA-N 2 2 457.618 4.338 20 0 JIADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC001164734194 720524767 /nfs/dbraw/zinc/52/47/67/720524767.db2.gz NQFRUOGLINRNHJ-OAQYLSRUSA-N 2 2 463.589 4.482 20 0 JIADLP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750184 720933736 /nfs/dbraw/zinc/93/37/36/720933736.db2.gz JQXDTBNTQHGSEC-RBISFHTESA-N 2 2 457.622 4.202 20 0 JIADLP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750184 720933753 /nfs/dbraw/zinc/93/37/53/720933753.db2.gz JQXDTBNTQHGSEC-RBISFHTESA-N 2 2 457.622 4.202 20 0 JIADLP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C3)n2)CCC4)CC1 ZINC001164787400 721426654 /nfs/dbraw/zinc/42/66/54/721426654.db2.gz QTLGESODPWMILL-OALUTQOASA-N 2 2 494.734 4.437 20 0 JIADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164802494 721578750 /nfs/dbraw/zinc/57/87/50/721578750.db2.gz GFICDKXWFVVOGJ-OTNCWRBYSA-N 2 2 494.709 4.413 20 0 JIADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164802494 721578754 /nfs/dbraw/zinc/57/87/54/721578754.db2.gz GFICDKXWFVVOGJ-OTNCWRBYSA-N 2 2 494.709 4.413 20 0 JIADLP CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359678267 1070333639 /nfs/dbraw/zinc/33/36/39/1070333639.db2.gz ANEFNBZXYOWUDM-QPPBQGQZSA-N 2 2 461.658 4.400 20 0 JIADLP CC(C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359678267 1070333658 /nfs/dbraw/zinc/33/36/58/1070333658.db2.gz ANEFNBZXYOWUDM-QPPBQGQZSA-N 2 2 461.658 4.400 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001315515697 1064463448 /nfs/dbraw/zinc/46/34/48/1064463448.db2.gz QSUVTWDDUVWDPY-JOCHJYFZSA-N 2 2 486.680 4.211 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001315515697 1064463449 /nfs/dbraw/zinc/46/34/49/1064463449.db2.gz QSUVTWDDUVWDPY-JOCHJYFZSA-N 2 2 486.680 4.211 20 0 JIADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)C2)ccn1 ZINC001331303781 1066358669 /nfs/dbraw/zinc/35/86/69/1066358669.db2.gz YSGMBMUKZBRFRI-XMMPIXPASA-N 2 2 491.661 4.008 20 0 JIADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)C2)ccn1 ZINC001331303781 1066358692 /nfs/dbraw/zinc/35/86/92/1066358692.db2.gz YSGMBMUKZBRFRI-XMMPIXPASA-N 2 2 491.661 4.008 20 0 JIADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)C2)ccn1 ZINC001331303781 1066358713 /nfs/dbraw/zinc/35/87/13/1066358713.db2.gz YSGMBMUKZBRFRI-XMMPIXPASA-N 2 2 491.661 4.008 20 0 JIADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)C2)ccn1 ZINC001331303781 1066358728 /nfs/dbraw/zinc/35/87/28/1066358728.db2.gz YSGMBMUKZBRFRI-XMMPIXPASA-N 2 2 491.661 4.008 20 0 JIADLP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001492515898 1066362510 /nfs/dbraw/zinc/36/25/10/1066362510.db2.gz ICCRQXAEOINHBV-HSZRJFAPSA-N 2 2 483.611 4.150 20 0 JIADLP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001492515898 1066362531 /nfs/dbraw/zinc/36/25/31/1066362531.db2.gz ICCRQXAEOINHBV-HSZRJFAPSA-N 2 2 483.611 4.150 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300696514 1067054068 /nfs/dbraw/zinc/05/40/68/1067054068.db2.gz DEJKRVHPYIATHX-QFIPXVFZSA-N 2 2 462.642 4.277 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001300696514 1067054079 /nfs/dbraw/zinc/05/40/79/1067054079.db2.gz DEJKRVHPYIATHX-QFIPXVFZSA-N 2 2 462.642 4.277 20 0 JIADLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)c2)CC1 ZINC001200046344 1067423078 /nfs/dbraw/zinc/42/30/78/1067423078.db2.gz MPRONGNZQFOKSU-UHFFFAOYSA-N 2 2 450.627 4.021 20 0 JIADLP C[C@@H](c1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1)[NH+]1CCOCC1 ZINC001200122751 1067686006 /nfs/dbraw/zinc/68/60/06/1067686006.db2.gz VWDPFZUKDCBTBO-SFHVURJKSA-N 2 2 458.553 4.144 20 0 JIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000622340124 1068360838 /nfs/dbraw/zinc/36/08/38/1068360838.db2.gz OJQKJFWXYXTADG-IBGZPJMESA-N 2 2 476.600 4.169 20 0 JIADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)c2c1C ZINC001164424038 718945568 /nfs/dbraw/zinc/94/55/68/718945568.db2.gz NGDKJJMLRZFSAJ-NHCUHLMSSA-N 2 2 491.661 4.238 20 0 JIADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164617836 719017425 /nfs/dbraw/zinc/01/74/25/719017425.db2.gz QDGQEDDUIKQNPY-YTQUADARSA-N 2 2 497.690 4.136 20 0 JIADLP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164617832 719017455 /nfs/dbraw/zinc/01/74/55/719017455.db2.gz QDGQEDDUIKQNPY-NEWSRXKRSA-N 2 2 497.690 4.136 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(c3ncccc3F)[C@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164692136 719759806 /nfs/dbraw/zinc/75/98/06/719759806.db2.gz RZVVYGABILZVRJ-BCHFMIIMSA-N 2 2 496.656 4.487 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164825969 720339042 /nfs/dbraw/zinc/33/90/42/720339042.db2.gz KASCDWYCCCGUII-JWQCQUIFSA-N 2 2 486.664 4.008 20 0 JIADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(SCc3ccccc3)cc[nH+]2)CC1 ZINC001164829182 720344199 /nfs/dbraw/zinc/34/41/99/720344199.db2.gz QWCPMNCHXQUOGF-DNQXCXABSA-N 2 2 450.652 4.285 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164748040 720847057 /nfs/dbraw/zinc/84/70/57/720847057.db2.gz SHMJLKAFHIBDQI-TWJOJJKGSA-N 2 2 496.663 4.067 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164748040 720847058 /nfs/dbraw/zinc/84/70/58/720847058.db2.gz SHMJLKAFHIBDQI-TWJOJJKGSA-N 2 2 496.663 4.067 20 0 JIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1 ZINC001164778216 721354922 /nfs/dbraw/zinc/35/49/22/721354922.db2.gz LGUAIURDTDMJNN-RUZDIDTESA-N 2 2 474.049 4.055 20 0 JIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1 ZINC001164778216 721354928 /nfs/dbraw/zinc/35/49/28/721354928.db2.gz LGUAIURDTDMJNN-RUZDIDTESA-N 2 2 474.049 4.055 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001315515169 1064461454 /nfs/dbraw/zinc/46/14/54/1064461454.db2.gz HKSPCWPTOGBKKO-UHFFFAOYSA-N 2 2 486.680 4.069 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001315515502 1064462368 /nfs/dbraw/zinc/46/23/68/1064462368.db2.gz OOOTWMAWNXAPOZ-UHFFFAOYSA-N 2 2 486.680 4.069 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001300697377 1067055526 /nfs/dbraw/zinc/05/55/26/1067055526.db2.gz RCDQSOSTCMLGGO-NRFANRHFSA-N 2 2 454.663 4.411 20 0 JIADLP CCCCCNC(=S)Nc1cc(-c2cccc(C[NH+]3CCOCC3)c2)ccc1N1CC[NH+](C)CC1 ZINC001200058695 1067471306 /nfs/dbraw/zinc/47/13/06/1067471306.db2.gz CUSGWCANLXWWNU-UHFFFAOYSA-N 2 2 495.737 4.414 20 0 JIADLP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000849074254 1067797454 /nfs/dbraw/zinc/79/74/54/1067797454.db2.gz LNUYONPQZNZCOX-UHFFFAOYSA-N 2 2 474.609 4.175 20 0 JIADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)c2)cc[nH+]1 ZINC000622373340 1068361731 /nfs/dbraw/zinc/36/17/31/1068361731.db2.gz LAFNBFCESJSVFA-JOCHJYFZSA-N 2 2 469.511 4.420 20 0 JIADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)c2)cc[nH+]1 ZINC000622373340 1068361748 /nfs/dbraw/zinc/36/17/48/1068361748.db2.gz LAFNBFCESJSVFA-JOCHJYFZSA-N 2 2 469.511 4.420 20 0 JIADLP C[C@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001354157315 1068937645 /nfs/dbraw/zinc/93/76/45/1068937645.db2.gz RJLNSIGJRUYQAR-FIPFOOKPSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001354157315 1068937654 /nfs/dbraw/zinc/93/76/54/1068937654.db2.gz RJLNSIGJRUYQAR-FIPFOOKPSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@H](NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354157315 1068937662 /nfs/dbraw/zinc/93/76/62/1068937662.db2.gz RJLNSIGJRUYQAR-FIPFOOKPSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@H](NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354157315 1068937672 /nfs/dbraw/zinc/93/76/72/1068937672.db2.gz RJLNSIGJRUYQAR-FIPFOOKPSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001354157317 1068937713 /nfs/dbraw/zinc/93/77/13/1068937713.db2.gz RJLNSIGJRUYQAR-LXFBAYGMSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001354157317 1068937718 /nfs/dbraw/zinc/93/77/18/1068937718.db2.gz RJLNSIGJRUYQAR-LXFBAYGMSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@@H](NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354157317 1068937724 /nfs/dbraw/zinc/93/77/24/1068937724.db2.gz RJLNSIGJRUYQAR-LXFBAYGMSA-N 2 2 457.618 4.338 20 0 JIADLP C[C@@H](NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354157317 1068937732 /nfs/dbraw/zinc/93/77/32/1068937732.db2.gz RJLNSIGJRUYQAR-LXFBAYGMSA-N 2 2 457.618 4.338 20 0 JIADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC001200590362 1068973391 /nfs/dbraw/zinc/97/33/91/1068973391.db2.gz KOUQFQOBDDBMOB-UHFFFAOYSA-N 2 2 450.524 4.486 20 0 JIADLP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495395 1069065725 /nfs/dbraw/zinc/06/57/25/1069065725.db2.gz CKKGXWQULIXXTD-GMAHTHKFSA-N 2 2 498.096 4.182 20 0 JIADLP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495395 1069065728 /nfs/dbraw/zinc/06/57/28/1069065728.db2.gz CKKGXWQULIXXTD-GMAHTHKFSA-N 2 2 498.096 4.182 20 0 JIADLP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499310 1069069593 /nfs/dbraw/zinc/06/95/93/1069069593.db2.gz VDXRKXZATNJCRW-ZEQRLZLVSA-N 2 2 498.096 4.182 20 0 JIADLP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499310 1069069605 /nfs/dbraw/zinc/06/96/05/1069069605.db2.gz VDXRKXZATNJCRW-ZEQRLZLVSA-N 2 2 498.096 4.182 20 0 JIADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c2c1C ZINC001164424037 718946151 /nfs/dbraw/zinc/94/61/51/718946151.db2.gz NGDKJJMLRZFSAJ-LEWJYISDSA-N 2 2 491.661 4.238 20 0 JIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164663373 719355237 /nfs/dbraw/zinc/35/52/37/719355237.db2.gz DHFUBEIXDKTARB-UHFFFAOYSA-N 3 2 486.664 4.249 20 0 JIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164663373 719355239 /nfs/dbraw/zinc/35/52/39/719355239.db2.gz DHFUBEIXDKTARB-UHFFFAOYSA-N 3 2 486.664 4.249 20 0 JIADLP O=S(=O)(c1ccccc1)N(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@H]1CCC12CC[NH2+]CC2 ZINC001164684597 719592733 /nfs/dbraw/zinc/59/27/33/719592733.db2.gz IKBVZJVXWXIYLT-NRFANRHFSA-N 2 2 475.058 4.058 20 0 JIADLP CCCN(CCC)c1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc[nH+]1 ZINC001164713866 720130500 /nfs/dbraw/zinc/13/05/00/720130500.db2.gz TWRNXKLUYRWYTR-HSZRJFAPSA-N 2 2 452.647 4.006 20 0 JIADLP CCCN(CCC)c1cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc[nH+]1 ZINC001164713866 720130509 /nfs/dbraw/zinc/13/05/09/720130509.db2.gz TWRNXKLUYRWYTR-HSZRJFAPSA-N 2 2 452.647 4.006 20 0 JIADLP CCCN(CCC)c1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)[nH+]cn1 ZINC001164713866 720130522 /nfs/dbraw/zinc/13/05/22/720130522.db2.gz TWRNXKLUYRWYTR-HSZRJFAPSA-N 2 2 452.647 4.006 20 0 JIADLP CCCN(CCC)c1cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)[nH+]cn1 ZINC001164713866 720130533 /nfs/dbraw/zinc/13/05/33/720130533.db2.gz TWRNXKLUYRWYTR-HSZRJFAPSA-N 2 2 452.647 4.006 20 0 JIADLP COC(=O)C[C@@H](c1cc[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1)C1CC1 ZINC001164840981 720709778 /nfs/dbraw/zinc/70/97/78/720709778.db2.gz UBSWWJKMYLSPTF-JWQCQUIFSA-N 2 2 463.622 4.398 20 0 JIADLP COC(=O)C[C@@H](c1cc[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1)C1CC1 ZINC001164840981 720709782 /nfs/dbraw/zinc/70/97/82/720709782.db2.gz UBSWWJKMYLSPTF-JWQCQUIFSA-N 2 2 463.622 4.398 20 0 JIADLP COc1ccc2c(C)cc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)[nH+]c2c1 ZINC001164787070 721357808 /nfs/dbraw/zinc/35/78/08/721357808.db2.gz YFWULESUWFCLMV-SANMLTNESA-N 2 2 450.583 4.276 20 0 JIADLP COc1ccc2c(C)cc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)[nH+]c2c1 ZINC001164787070 721357815 /nfs/dbraw/zinc/35/78/15/721357815.db2.gz YFWULESUWFCLMV-SANMLTNESA-N 2 2 450.583 4.276 20 0 JIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001165022199 721840229 /nfs/dbraw/zinc/84/02/29/721840229.db2.gz QEDMGKCPKHOYLP-UHFFFAOYSA-N 2 2 487.648 4.153 20 0 JIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001165022199 721840230 /nfs/dbraw/zinc/84/02/30/721840230.db2.gz QEDMGKCPKHOYLP-UHFFFAOYSA-N 2 2 487.648 4.153 20 0 JIADLP Cc1cccc(CCCn2c(CCOc3ccccc3)nnc2N2CCC[N@@H+](C(C)C)CC2)[nH+]1 ZINC001492527356 1066421121 /nfs/dbraw/zinc/42/11/21/1066421121.db2.gz ZKJVNEGJTKJBNA-UHFFFAOYSA-N 2 2 462.642 4.156 20 0 JIADLP Cc1cccc(CCCn2c(CCOc3ccccc3)nnc2N2CCC[N@H+](C(C)C)CC2)[nH+]1 ZINC001492527356 1066421139 /nfs/dbraw/zinc/42/11/39/1066421139.db2.gz ZKJVNEGJTKJBNA-UHFFFAOYSA-N 2 2 462.642 4.156 20 0 JIADLP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc(Br)c1OC(F)F ZINC001318340445 1067023892 /nfs/dbraw/zinc/02/38/92/1067023892.db2.gz OKIDMYNQOQFPJI-UHFFFAOYSA-N 2 2 484.385 4.096 20 0 JIADLP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCNc2cccc[nH+]2)c(OC)c1 ZINC001300061183 1067562781 /nfs/dbraw/zinc/56/27/81/1067562781.db2.gz BAFIPHSVSJDLRP-UHFFFAOYSA-N 2 2 493.656 4.170 20 0 JIADLP COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCNc2cccc[nH+]2)c(OC)c1 ZINC001300061183 1067562798 /nfs/dbraw/zinc/56/27/98/1067562798.db2.gz BAFIPHSVSJDLRP-UHFFFAOYSA-N 2 2 493.656 4.170 20 0 JIADLP C[C@H](NC(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000849066922 1067794699 /nfs/dbraw/zinc/79/46/99/1067794699.db2.gz PWJJJHBUPKJPHS-INIZCTEOSA-N 2 2 451.398 4.080 20 0 JIADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001357526866 1067865414 /nfs/dbraw/zinc/86/54/14/1067865414.db2.gz YTVQXBHHJROQBP-HSZRJFAPSA-N 2 2 456.428 4.367 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164825975 720339549 /nfs/dbraw/zinc/33/95/49/720339549.db2.gz KASCDWYCCCGUII-LOSJGSFVSA-N 2 2 486.664 4.008 20 0 JIADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164761962 721224739 /nfs/dbraw/zinc/22/47/39/721224739.db2.gz BFLPUECPZNWFBC-FCHUYYIVSA-N 2 2 487.677 4.112 20 0 JIADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164761962 721224745 /nfs/dbraw/zinc/22/47/45/721224745.db2.gz BFLPUECPZNWFBC-FCHUYYIVSA-N 2 2 487.677 4.112 20 0 JIADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164761965 721225115 /nfs/dbraw/zinc/22/51/15/721225115.db2.gz BFLPUECPZNWFBC-YADHBBJMSA-N 2 2 487.677 4.112 20 0 JIADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164761965 721225132 /nfs/dbraw/zinc/22/51/32/721225132.db2.gz BFLPUECPZNWFBC-YADHBBJMSA-N 2 2 487.677 4.112 20 0 JIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1 ZINC001164778217 721354341 /nfs/dbraw/zinc/35/43/41/721354341.db2.gz LGUAIURDTDMJNN-VWLOTQADSA-N 2 2 474.049 4.055 20 0 JIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1 ZINC001164778217 721354345 /nfs/dbraw/zinc/35/43/45/721354345.db2.gz LGUAIURDTDMJNN-VWLOTQADSA-N 2 2 474.049 4.055 20 0 JIADLP c1csc(C[N@H+]2C[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164783590 721427402 /nfs/dbraw/zinc/42/74/02/721427402.db2.gz JBVIPDLRCQNQHS-HDICACEKSA-N 2 2 480.707 4.191 20 0 JIADLP c1csc(C[N@@H+]2C[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164783590 721427404 /nfs/dbraw/zinc/42/74/04/721427404.db2.gz JBVIPDLRCQNQHS-HDICACEKSA-N 2 2 480.707 4.191 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164806261 721577808 /nfs/dbraw/zinc/57/78/08/721577808.db2.gz MQVRPUHEKHZEKL-HWBMXIPRSA-N 2 2 492.693 4.167 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164806261 721577812 /nfs/dbraw/zinc/57/78/12/721577812.db2.gz MQVRPUHEKHZEKL-HWBMXIPRSA-N 2 2 492.693 4.167 20 0 JIADLP Clc1ncc2c(c1N1CC[NH+](C[C@@H]3CCCO3)CC1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001165039218 721916093 /nfs/dbraw/zinc/91/60/93/721916093.db2.gz RKKGKZUKGNHIJP-QFIPXVFZSA-N 2 2 483.056 4.058 20 0 JIADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164938953 721925095 /nfs/dbraw/zinc/92/50/95/721925095.db2.gz DDEAKUUVOLSRTC-UHFFFAOYSA-N 2 2 483.660 4.215 20 0 JIADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164938953 721925096 /nfs/dbraw/zinc/92/50/96/721925096.db2.gz DDEAKUUVOLSRTC-UHFFFAOYSA-N 2 2 483.660 4.215 20 0 JIADLP Cc1ccc(C[NH+]2CCOC3(CCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164938953 721925098 /nfs/dbraw/zinc/92/50/98/721925098.db2.gz DDEAKUUVOLSRTC-UHFFFAOYSA-N 2 2 483.660 4.215 20 0 JIADLP Cc1ccc(C[NH+]2CCOC3(CCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164938953 721925100 /nfs/dbraw/zinc/92/51/00/721925100.db2.gz DDEAKUUVOLSRTC-UHFFFAOYSA-N 2 2 483.660 4.215 20 0 JIADLP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC001316503369 1066469056 /nfs/dbraw/zinc/46/90/56/1066469056.db2.gz LUCAFGPCVMFZSA-BGYRXZFFSA-N 2 2 484.048 4.041 20 0 JIADLP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC001316503369 1066469072 /nfs/dbraw/zinc/46/90/72/1066469072.db2.gz LUCAFGPCVMFZSA-BGYRXZFFSA-N 2 2 484.048 4.041 20 0 JIADLP Cc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)[NH+]2CCOCC2)c1 ZINC001492481113 1066626594 /nfs/dbraw/zinc/62/65/94/1066626594.db2.gz SFCKTEHXYNHPKT-RUZDIDTESA-N 2 2 482.717 4.342 20 0 JIADLP Cc1cc(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1N1CC[NH+](C)CC1 ZINC001317831264 1066716910 /nfs/dbraw/zinc/71/69/10/1066716910.db2.gz ZKSZJWJVIHPFNY-HSZRJFAPSA-N 2 2 474.024 4.498 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001300697379 1067055663 /nfs/dbraw/zinc/05/56/63/1067055663.db2.gz RCDQSOSTCMLGGO-OAQYLSRUSA-N 2 2 454.663 4.411 20 0 JIADLP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc4nc(C[NH+]5CCCCC5)[nH]c4c3)cc2)CC1 ZINC001322392683 1067286127 /nfs/dbraw/zinc/28/61/27/1067286127.db2.gz LAGQXGFQECKZPS-UHFFFAOYSA-N 2 2 460.626 4.332 20 0 JIADLP Brc1ccccc1CN1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC001200193804 1067826583 /nfs/dbraw/zinc/82/65/83/1067826583.db2.gz UAQISZWDGHMNQZ-UHFFFAOYSA-N 2 2 450.465 4.038 20 0 JIADLP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164617833 719017847 /nfs/dbraw/zinc/01/78/47/719017847.db2.gz QDGQEDDUIKQNPY-NZSAHSFTSA-N 2 2 497.690 4.136 20 0 JIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164664915 719356087 /nfs/dbraw/zinc/35/60/87/719356087.db2.gz SBMQZFXIZGMYQK-UHFFFAOYSA-N 2 2 456.638 4.372 20 0 JIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164664915 719356091 /nfs/dbraw/zinc/35/60/91/719356091.db2.gz SBMQZFXIZGMYQK-UHFFFAOYSA-N 2 2 456.638 4.372 20 0 JIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]cnc4c2ccn4COC(=O)C(C)(C)C)CC3)cs1 ZINC001164694329 719808850 /nfs/dbraw/zinc/80/88/50/719808850.db2.gz VGIMQUNYNIMCNH-UHFFFAOYSA-N 2 2 482.654 4.378 20 0 JIADLP Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]cnc4c2ccn4COC(=O)C(C)(C)C)CC3)cs1 ZINC001164694329 719808851 /nfs/dbraw/zinc/80/88/51/719808851.db2.gz VGIMQUNYNIMCNH-UHFFFAOYSA-N 2 2 482.654 4.378 20 0 JIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCN(c5ccccc5)CC4)[nH+]cn2)CC3)cs1 ZINC001164693743 719815001 /nfs/dbraw/zinc/81/50/01/719815001.db2.gz YLWCSWOSYLWFIC-UHFFFAOYSA-N 2 2 489.693 4.203 20 0 JIADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N4CCN(c5ccccc5)CC4)[nH+]cn2)CC3)cs1 ZINC001164693743 719815004 /nfs/dbraw/zinc/81/50/04/719815004.db2.gz YLWCSWOSYLWFIC-UHFFFAOYSA-N 2 2 489.693 4.203 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1C ZINC001164736296 720581673 /nfs/dbraw/zinc/58/16/73/720581673.db2.gz HGGZHJXMZUVFJM-UHFFFAOYSA-N 2 2 479.698 4.149 20 0 JIADLP COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH+]c2C)cc1 ZINC001164838277 720593908 /nfs/dbraw/zinc/59/39/08/720593908.db2.gz KNWAKXSJCPNGET-RMTZWNOUSA-N 2 2 473.621 4.418 20 0 JIADLP COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH+]c2C)cc1 ZINC001164838277 720593925 /nfs/dbraw/zinc/59/39/25/720593925.db2.gz KNWAKXSJCPNGET-RMTZWNOUSA-N 2 2 473.621 4.418 20 0 JIADLP CCCN(CCC)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc[nH+]1 ZINC001164757486 720898476 /nfs/dbraw/zinc/89/84/76/720898476.db2.gz VDLHZUYJKTXXOU-NAKRPHOHSA-N 2 2 478.685 4.253 20 0 JIADLP CCCN(CCC)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc[nH+]1 ZINC001164757486 720898478 /nfs/dbraw/zinc/89/84/78/720898478.db2.gz VDLHZUYJKTXXOU-NAKRPHOHSA-N 2 2 478.685 4.253 20 0 JIADLP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750182 720932939 /nfs/dbraw/zinc/93/29/39/720932939.db2.gz JQXDTBNTQHGSEC-DWACAAAGSA-N 2 2 457.622 4.202 20 0 JIADLP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750182 720932943 /nfs/dbraw/zinc/93/29/43/720932943.db2.gz JQXDTBNTQHGSEC-DWACAAAGSA-N 2 2 457.622 4.202 20 0 JIADLP COc1ccc2[nH+]c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc(C)c2c1 ZINC001164778565 721350431 /nfs/dbraw/zinc/35/04/31/721350431.db2.gz NGVVFRZKCWFILX-AREMUKBSSA-N 2 2 450.583 4.276 20 0 JIADLP COc1ccc2[nH+]c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc(C)c2c1 ZINC001164778565 721350435 /nfs/dbraw/zinc/35/04/35/721350435.db2.gz NGVVFRZKCWFILX-AREMUKBSSA-N 2 2 450.583 4.276 20 0 JIADLP COc1ccc2[nH+]c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc(C)c2c1 ZINC001164778571 721350671 /nfs/dbraw/zinc/35/06/71/721350671.db2.gz NGVVFRZKCWFILX-SANMLTNESA-N 2 2 450.583 4.276 20 0 JIADLP COc1ccc2[nH+]c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc(C)c2c1 ZINC001164778571 721350674 /nfs/dbraw/zinc/35/06/74/721350674.db2.gz NGVVFRZKCWFILX-SANMLTNESA-N 2 2 450.583 4.276 20 0 JIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164787372 721432576 /nfs/dbraw/zinc/43/25/76/721432576.db2.gz QMTNNCXIFIQSAA-OALUTQOASA-N 2 2 476.675 4.445 20 0 JIADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]cnc5c4ccn5COC(=O)C(C)(C)C)CC3)C2)cc1 ZINC001164938915 721926529 /nfs/dbraw/zinc/92/65/29/721926529.db2.gz BDVMBEXWHATKLM-UHFFFAOYSA-N 2 2 491.636 4.158 20 0 JIADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]cnc5c4ccn5COC(=O)C(C)(C)C)CC3)C2)cc1 ZINC001164938915 721926531 /nfs/dbraw/zinc/92/65/31/721926531.db2.gz BDVMBEXWHATKLM-UHFFFAOYSA-N 2 2 491.636 4.158 20 0 JIADLP c1ccc(CC[NH+]2CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC2)nc1 ZINC001165055220 722017089 /nfs/dbraw/zinc/01/70/89/722017089.db2.gz MKEWTDALHPWHGZ-UHFFFAOYSA-N 2 2 476.694 4.316 20 0 JIADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164963431 722024104 /nfs/dbraw/zinc/02/41/04/722024104.db2.gz TWMLNFVZCGVGKL-UHFFFAOYSA-N 2 2 458.610 4.009 20 0 JIADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164963431 722024106 /nfs/dbraw/zinc/02/41/06/722024106.db2.gz TWMLNFVZCGVGKL-UHFFFAOYSA-N 2 2 458.610 4.009 20 0 JIADLP CC(C)N(c1nc(Cl)ccc1C[NH+]1CCCC1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001164997371 722220638 /nfs/dbraw/zinc/22/06/38/722220638.db2.gz CNCUOXPUEXIGCI-UHFFFAOYSA-N 2 2 497.087 4.100 20 0 JIADLP CC(C)[C@H](Cn1c(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359665784 1070298312 /nfs/dbraw/zinc/29/83/12/1070298312.db2.gz GJKFAMQXWSRJDN-VXKWHMMOSA-N 2 2 488.746 4.267 20 0 JIADLP CC(C)[C@@H](Cn1c(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001359665785 1070298083 /nfs/dbraw/zinc/29/80/83/1070298083.db2.gz GJKFAMQXWSRJDN-YADHBBJMSA-N 2 2 488.746 4.267 20 0 JIADLP COc1ccccc1SCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001315666837 1064884558 /nfs/dbraw/zinc/88/45/58/1064884558.db2.gz VZSWZQYMGDDDDI-UHFFFAOYSA-N 2 2 495.697 4.009 20 0 JIADLP CSC1(Cn2c(N3CC[NH+](Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001316411273 1066200293 /nfs/dbraw/zinc/20/02/93/1066200293.db2.gz JMANPPBCTBPLCQ-UHFFFAOYSA-N 2 2 491.149 4.379 20 0 JIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001316495810 1066443308 /nfs/dbraw/zinc/44/33/08/1066443308.db2.gz GFOINNBGXNZMCY-OAQYLSRUSA-N 2 2 461.658 4.087 20 0 JIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001316495810 1066443324 /nfs/dbraw/zinc/44/33/24/1066443324.db2.gz GFOINNBGXNZMCY-OAQYLSRUSA-N 2 2 461.658 4.087 20 0 JIADLP COc1ccc(CNC(=[NH2+])NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1OC ZINC000849062301 1067792281 /nfs/dbraw/zinc/79/22/81/1067792281.db2.gz MXPXKYAFGRAIHI-OAQYLSRUSA-N 2 2 450.608 4.179 20 0 JIADLP COc1ccc(CNC(=[NH2+])NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1OC ZINC000849062301 1067792300 /nfs/dbraw/zinc/79/23/00/1067792300.db2.gz MXPXKYAFGRAIHI-OAQYLSRUSA-N 2 2 450.608 4.179 20 0 JIADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001357526867 1067865321 /nfs/dbraw/zinc/86/53/21/1067865321.db2.gz YTVQXBHHJROQBP-QHCPKHFHSA-N 2 2 456.428 4.367 20 0 JIADLP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000849520078 1069111867 /nfs/dbraw/zinc/11/18/67/1069111867.db2.gz XPMGDMQGAJHJAZ-VXQMPNGUSA-N 2 2 492.067 4.043 20 0 JIADLP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000849520078 1069111875 /nfs/dbraw/zinc/11/18/75/1069111875.db2.gz XPMGDMQGAJHJAZ-VXQMPNGUSA-N 2 2 492.067 4.043 20 0 JIADLP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000849520069 1069111959 /nfs/dbraw/zinc/11/19/59/1069111959.db2.gz XPMGDMQGAJHJAZ-RELGLDOUSA-N 2 2 492.067 4.043 20 0 JIADLP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000849520069 1069111966 /nfs/dbraw/zinc/11/19/66/1069111966.db2.gz XPMGDMQGAJHJAZ-RELGLDOUSA-N 2 2 492.067 4.043 20 0 JIADLP CSCc1cc[nH+]c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164685660 719680792 /nfs/dbraw/zinc/68/07/92/719680792.db2.gz LOHQOHINPLPSRL-NRFANRHFSA-N 2 2 452.668 4.038 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164806263 721577580 /nfs/dbraw/zinc/57/75/80/721577580.db2.gz MQVRPUHEKHZEKL-OTNCWRBYSA-N 2 2 492.693 4.167 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164806263 721577586 /nfs/dbraw/zinc/57/75/86/721577586.db2.gz MQVRPUHEKHZEKL-OTNCWRBYSA-N 2 2 492.693 4.167 20 0 JIADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)n2)cc1 ZINC001164940705 721933277 /nfs/dbraw/zinc/93/32/77/721933277.db2.gz XVXRWBCCRCMMEZ-UHFFFAOYSA-N 2 2 487.648 4.301 20 0 JIADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)n2)cc1 ZINC001164940705 721933281 /nfs/dbraw/zinc/93/32/81/721933281.db2.gz XVXRWBCCRCMMEZ-UHFFFAOYSA-N 2 2 487.648 4.301 20 0 JIADLP COCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@@H]1C ZINC001316138919 1065804749 /nfs/dbraw/zinc/80/47/49/1065804749.db2.gz XVCWECAMHSYFFR-RDPSFJRHSA-N 2 2 489.108 4.124 20 0 JIADLP COCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@@H]1C ZINC001316138919 1065804751 /nfs/dbraw/zinc/80/47/51/1065804751.db2.gz XVCWECAMHSYFFR-RDPSFJRHSA-N 2 2 489.108 4.124 20 0 JIADLP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cc(Br)ccc3OCc3ccccn3)c2)CC1 ZINC001327212283 1066314008 /nfs/dbraw/zinc/31/40/08/1066314008.db2.gz DVINOSUEVGUGOF-UHFFFAOYSA-N 2 2 495.465 4.460 20 0 JIADLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cc(Br)ccc3OCc3ccccn3)c2)CC1 ZINC001327212283 1066314027 /nfs/dbraw/zinc/31/40/27/1066314027.db2.gz DVINOSUEVGUGOF-UHFFFAOYSA-N 2 2 495.465 4.460 20 0 JIADLP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001349910872 1066895112 /nfs/dbraw/zinc/89/51/12/1066895112.db2.gz NDELYNFQCOLHDM-QHCPKHFHSA-N 2 2 451.640 4.107 20 0 JIADLP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001349910861 1066895129 /nfs/dbraw/zinc/89/51/29/1066895129.db2.gz NDELYNFQCOLHDM-HSZRJFAPSA-N 2 2 451.640 4.107 20 0 JIADLP CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)n1 ZINC001300053656 1067528424 /nfs/dbraw/zinc/52/84/24/1067528424.db2.gz ROQBSQRLSVOAAS-WOJBJXKFSA-N 2 2 455.653 4.296 20 0 JIADLP CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)n1 ZINC001300053656 1067528442 /nfs/dbraw/zinc/52/84/42/1067528442.db2.gz ROQBSQRLSVOAAS-WOJBJXKFSA-N 2 2 455.653 4.296 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001300245766 1067970796 /nfs/dbraw/zinc/97/07/96/1067970796.db2.gz ZUMPBCHHVLRNGJ-OAQYLSRUSA-N 2 2 486.680 4.310 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001300245766 1067970821 /nfs/dbraw/zinc/97/08/21/1067970821.db2.gz ZUMPBCHHVLRNGJ-OAQYLSRUSA-N 2 2 486.680 4.310 20 0 JIADLP O=C(c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164628973 719086741 /nfs/dbraw/zinc/08/67/41/719086741.db2.gz PHHHQGBGBFBLEC-LMSSTIIKSA-N 2 2 495.671 4.140 20 0 JIADLP O=C(c1cccnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164628973 719086752 /nfs/dbraw/zinc/08/67/52/719086752.db2.gz PHHHQGBGBFBLEC-LMSSTIIKSA-N 2 2 495.671 4.140 20 0 JIADLP Fc1cccc(N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164649182 719296419 /nfs/dbraw/zinc/29/64/19/719296419.db2.gz HGFVPYXZJOPVTR-CUBQBAPOSA-N 2 2 473.596 4.223 20 0 JIADLP Fc1cccc(N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164649182 719296420 /nfs/dbraw/zinc/29/64/20/719296420.db2.gz HGFVPYXZJOPVTR-CUBQBAPOSA-N 2 2 473.596 4.223 20 0 JIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164658916 719353026 /nfs/dbraw/zinc/35/30/26/719353026.db2.gz LTXCBPKQMYKZEU-UHFFFAOYSA-N 2 2 463.029 4.075 20 0 JIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164658916 719353028 /nfs/dbraw/zinc/35/30/28/719353028.db2.gz LTXCBPKQMYKZEU-UHFFFAOYSA-N 2 2 463.029 4.075 20 0 JIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164659758 719353712 /nfs/dbraw/zinc/35/37/12/719353712.db2.gz RWMMMIQQXCVNKF-UHFFFAOYSA-N 2 2 456.638 4.372 20 0 JIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164659758 719353715 /nfs/dbraw/zinc/35/37/15/719353715.db2.gz RWMMMIQQXCVNKF-UHFFFAOYSA-N 2 2 456.638 4.372 20 0 JIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164662928 719355750 /nfs/dbraw/zinc/35/57/50/719355750.db2.gz AVVSMCAYYGRZMB-UHFFFAOYSA-N 2 2 486.664 4.155 20 0 JIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164662928 719355754 /nfs/dbraw/zinc/35/57/54/719355754.db2.gz AVVSMCAYYGRZMB-UHFFFAOYSA-N 2 2 486.664 4.155 20 0 JIADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[NH+]3C)nc1 ZINC001164820450 720384069 /nfs/dbraw/zinc/38/40/69/720384069.db2.gz BPPBXTUFWOGDLI-XMMPIXPASA-N 2 2 496.725 4.097 20 0 JIADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[NH+]3C)nc1 ZINC001164820450 720384077 /nfs/dbraw/zinc/38/40/77/720384077.db2.gz BPPBXTUFWOGDLI-XMMPIXPASA-N 2 2 496.725 4.097 20 0 JIADLP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164820450 720384083 /nfs/dbraw/zinc/38/40/83/720384083.db2.gz BPPBXTUFWOGDLI-XMMPIXPASA-N 2 2 496.725 4.097 20 0 JIADLP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164820450 720384090 /nfs/dbraw/zinc/38/40/90/720384090.db2.gz BPPBXTUFWOGDLI-XMMPIXPASA-N 2 2 496.725 4.097 20 0 JIADLP COc1cc2cc[nH+]c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2cc1F ZINC001164779891 721375152 /nfs/dbraw/zinc/37/51/52/721375152.db2.gz DFMWMCWIGCIUCF-RUZDIDTESA-N 2 2 454.546 4.106 20 0 JIADLP COc1cc2cc[nH+]c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2cc1F ZINC001164779891 721375155 /nfs/dbraw/zinc/37/51/55/721375155.db2.gz DFMWMCWIGCIUCF-RUZDIDTESA-N 2 2 454.546 4.106 20 0 JIADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164802501 721578205 /nfs/dbraw/zinc/57/82/05/721578205.db2.gz GFICDKXWFVVOGJ-WRALFONMSA-N 2 2 494.709 4.413 20 0 JIADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164802501 721578207 /nfs/dbraw/zinc/57/82/07/721578207.db2.gz GFICDKXWFVVOGJ-WRALFONMSA-N 2 2 494.709 4.413 20 0 JIADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)C[C@H]21 ZINC001165022159 721804026 /nfs/dbraw/zinc/80/40/26/721804026.db2.gz IAZINRDLQCRNRL-RGODFAACSA-N 2 2 468.649 4.167 20 0 JIADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3C[NH+](Cc3ccccc3)CC4)C[C@H]21 ZINC001165022159 721804028 /nfs/dbraw/zinc/80/40/28/721804028.db2.gz IAZINRDLQCRNRL-RGODFAACSA-N 2 2 468.649 4.167 20 0 JIADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001165022159 721804032 /nfs/dbraw/zinc/80/40/32/721804032.db2.gz IAZINRDLQCRNRL-RGODFAACSA-N 2 2 468.649 4.167 20 0 JIADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001165022159 721804033 /nfs/dbraw/zinc/80/40/33/721804033.db2.gz IAZINRDLQCRNRL-RGODFAACSA-N 2 2 468.649 4.167 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164978878 722141838 /nfs/dbraw/zinc/14/18/38/722141838.db2.gz KGDBQFWXTBTHQV-CLJLJLNGSA-N 2 2 482.632 4.219 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164978878 722141842 /nfs/dbraw/zinc/14/18/42/722141842.db2.gz KGDBQFWXTBTHQV-CLJLJLNGSA-N 2 2 482.632 4.219 20 0 JIADLP CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001359546215 1069849540 /nfs/dbraw/zinc/84/95/40/1069849540.db2.gz VDCRXZCYXSXZSB-XMMPIXPASA-N 2 2 482.717 4.035 20 0 JIADLP CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001359546215 1069849542 /nfs/dbraw/zinc/84/95/42/1069849542.db2.gz VDCRXZCYXSXZSB-XMMPIXPASA-N 2 2 482.717 4.035 20 0 JIADLP CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[NH+]1CCOCC1)[NH+]1CCCC1 ZINC001359658687 1070258615 /nfs/dbraw/zinc/25/86/15/1070258615.db2.gz GYZRMICAZLVCBE-QFIPXVFZSA-N 2 2 495.499 4.141 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001315672351 1064903275 /nfs/dbraw/zinc/90/32/75/1064903275.db2.gz OZALREJFRPPCFX-NRFANRHFSA-N 2 2 462.642 4.419 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001315672351 1064903287 /nfs/dbraw/zinc/90/32/87/1064903287.db2.gz OZALREJFRPPCFX-NRFANRHFSA-N 2 2 462.642 4.419 20 0 JIADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001332854135 1066380191 /nfs/dbraw/zinc/38/01/91/1066380191.db2.gz VCCOZSSWCXTTAK-REWPJTCUSA-N 2 2 478.662 4.013 20 0 JIADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001332854135 1066380200 /nfs/dbraw/zinc/38/02/00/1066380200.db2.gz VCCOZSSWCXTTAK-REWPJTCUSA-N 2 2 478.662 4.013 20 0 JIADLP COc1cc[nH+]cc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300694160 1067047673 /nfs/dbraw/zinc/04/76/73/1067047673.db2.gz OIPFKUMHVVNJDW-UHFFFAOYSA-N 2 2 455.006 4.361 20 0 JIADLP COc1cc[nH+]cc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300694160 1067047690 /nfs/dbraw/zinc/04/76/90/1067047690.db2.gz OIPFKUMHVVNJDW-UHFFFAOYSA-N 2 2 455.006 4.361 20 0 JIADLP COc1ccccc1Nc1nc2sc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2s1 ZINC000497751196 1068191666 /nfs/dbraw/zinc/19/16/66/1068191666.db2.gz UYCRAVMTJRKMQV-UHFFFAOYSA-N 2 2 485.679 4.398 20 0 JIADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164617834 719017776 /nfs/dbraw/zinc/01/77/76/719017776.db2.gz QDGQEDDUIKQNPY-WDSOQIARSA-N 2 2 497.690 4.136 20 0 JIADLP O=S(=O)(c1ccccc1)N(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@@H]1CCC12CC[NH2+]CC2 ZINC001164684601 719592339 /nfs/dbraw/zinc/59/23/39/719592339.db2.gz IKBVZJVXWXIYLT-OAQYLSRUSA-N 2 2 475.058 4.058 20 0 JIADLP Cc1cc(Cl)c(C)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1 ZINC001164681917 719671280 /nfs/dbraw/zinc/67/12/80/719671280.db2.gz OHIZWJYLKUJLKP-HXUWFJFHSA-N 2 2 455.046 4.445 20 0 JIADLP c1csc(C[NH+]2C[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)n1 ZINC001164781329 721426625 /nfs/dbraw/zinc/42/66/25/721426625.db2.gz DERNTMJLQSLSPC-QZTJIDSGSA-N 2 2 480.707 4.191 20 0 JIADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C4)c23)C1 ZINC001164782746 721427616 /nfs/dbraw/zinc/42/76/16/721427616.db2.gz HRCJPXJKLFXEFU-QYZOEREBSA-N 2 2 494.734 4.437 20 0 JIADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)CC2 ZINC001164792604 721491344 /nfs/dbraw/zinc/49/13/44/721491344.db2.gz LBNXJJMIPKEWIW-UHFFFAOYSA-N 2 2 468.649 4.311 20 0 JIADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1C[NH+](Cc1ccccc1)CC3)CC2 ZINC001164792604 721491348 /nfs/dbraw/zinc/49/13/48/721491348.db2.gz LBNXJJMIPKEWIW-UHFFFAOYSA-N 2 2 468.649 4.311 20 0 JIADLP C[NH+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164792604 721491353 /nfs/dbraw/zinc/49/13/53/721491353.db2.gz LBNXJJMIPKEWIW-UHFFFAOYSA-N 2 2 468.649 4.311 20 0 JIADLP C[NH+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164792604 721491356 /nfs/dbraw/zinc/49/13/56/721491356.db2.gz LBNXJJMIPKEWIW-UHFFFAOYSA-N 2 2 468.649 4.311 20 0 JIADLP CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[NH+]1CCOCC1)[NH+]1CCCC1 ZINC001359658686 1070257871 /nfs/dbraw/zinc/25/78/71/1070257871.db2.gz GYZRMICAZLVCBE-JOCHJYFZSA-N 2 2 495.499 4.141 20 0 JIADLP CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)[NH+]1CCCC1 ZINC001359664109 1070290697 /nfs/dbraw/zinc/29/06/97/1070290697.db2.gz ZRGOTEQGXSXXOI-QFIPXVFZSA-N 2 2 453.679 4.011 20 0 JIADLP CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359679663 1070335525 /nfs/dbraw/zinc/33/55/25/1070335525.db2.gz PBPDZUUWGYZCCC-YADHBBJMSA-N 2 2 474.719 4.093 20 0 JIADLP CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359679663 1070335537 /nfs/dbraw/zinc/33/55/37/1070335537.db2.gz PBPDZUUWGYZCCC-YADHBBJMSA-N 2 2 474.719 4.093 20 0 JIADLP COc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)C[NH+]3CCCC3)CC2)cc1F ZINC001315505644 1064419833 /nfs/dbraw/zinc/41/98/33/1064419833.db2.gz XZOJIQOJUXANDH-UHFFFAOYSA-N 2 2 486.680 4.168 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001315515686 1064463318 /nfs/dbraw/zinc/46/33/18/1064463318.db2.gz QNNUVRSINRSWKT-NRFANRHFSA-N 2 2 486.680 4.166 20 0 JIADLP C[C@@H](c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1)[NH+]1CCOCC1 ZINC001200122141 1067683994 /nfs/dbraw/zinc/68/39/94/1067683994.db2.gz PYDSWQKGKWJKRK-FQEVSTJZSA-N 2 2 457.018 4.473 20 0 JIADLP C[C@@H](c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1)[NH+]1CCOCC1 ZINC001200122141 1067684007 /nfs/dbraw/zinc/68/40/07/1067684007.db2.gz PYDSWQKGKWJKRK-FQEVSTJZSA-N 2 2 457.018 4.473 20 0 JIADLP C[C@@H](NC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000849065929 1067793327 /nfs/dbraw/zinc/79/33/27/1067793327.db2.gz JMIOERYNDKIOML-MRXNPFEDSA-N 2 2 451.398 4.080 20 0 JIADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)cc1 ZINC001164670090 719513560 /nfs/dbraw/zinc/51/35/60/719513560.db2.gz BBMFXKBXWNUODI-UHFFFAOYSA-N 2 2 459.009 4.341 20 0 JIADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)cc1 ZINC001164670090 719513569 /nfs/dbraw/zinc/51/35/69/719513569.db2.gz BBMFXKBXWNUODI-UHFFFAOYSA-N 2 2 459.009 4.341 20 0 JIADLP CCCN(CCC)c1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc[nH+]1 ZINC001164713870 720130067 /nfs/dbraw/zinc/13/00/67/720130067.db2.gz TWRNXKLUYRWYTR-QHCPKHFHSA-N 2 2 452.647 4.006 20 0 JIADLP CCCN(CCC)c1cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc[nH+]1 ZINC001164713870 720130070 /nfs/dbraw/zinc/13/00/70/720130070.db2.gz TWRNXKLUYRWYTR-QHCPKHFHSA-N 2 2 452.647 4.006 20 0 JIADLP CCCN(CCC)c1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)[nH+]cn1 ZINC001164713870 720130073 /nfs/dbraw/zinc/13/00/73/720130073.db2.gz TWRNXKLUYRWYTR-QHCPKHFHSA-N 2 2 452.647 4.006 20 0 JIADLP CCCN(CCC)c1cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)[nH+]cn1 ZINC001164713870 720130074 /nfs/dbraw/zinc/13/00/74/720130074.db2.gz TWRNXKLUYRWYTR-QHCPKHFHSA-N 2 2 452.647 4.006 20 0 JIADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[NH+]3C)nc1 ZINC001164820449 720383929 /nfs/dbraw/zinc/38/39/29/720383929.db2.gz BPPBXTUFWOGDLI-DEOSSOPVSA-N 2 2 496.725 4.097 20 0 JIADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[NH+]3C)nc1 ZINC001164820449 720383934 /nfs/dbraw/zinc/38/39/34/720383934.db2.gz BPPBXTUFWOGDLI-DEOSSOPVSA-N 2 2 496.725 4.097 20 0 JIADLP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164820449 720383941 /nfs/dbraw/zinc/38/39/41/720383941.db2.gz BPPBXTUFWOGDLI-DEOSSOPVSA-N 2 2 496.725 4.097 20 0 JIADLP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164820449 720383949 /nfs/dbraw/zinc/38/39/49/720383949.db2.gz BPPBXTUFWOGDLI-DEOSSOPVSA-N 2 2 496.725 4.097 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164748042 720847850 /nfs/dbraw/zinc/84/78/50/720847850.db2.gz SHMJLKAFHIBDQI-UODIDJSMSA-N 2 2 496.663 4.067 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164748042 720847852 /nfs/dbraw/zinc/84/78/52/720847852.db2.gz SHMJLKAFHIBDQI-UODIDJSMSA-N 2 2 496.663 4.067 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164978881 722141769 /nfs/dbraw/zinc/14/17/69/722141769.db2.gz KGDBQFWXTBTHQV-UIOOFZCWSA-N 2 2 482.632 4.219 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164978881 722141773 /nfs/dbraw/zinc/14/17/73/722141773.db2.gz KGDBQFWXTBTHQV-UIOOFZCWSA-N 2 2 482.632 4.219 20 0 JIADLP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4c2C[NH+](Cc2ccccc2)CC4)C3)c1 ZINC001164993993 722194516 /nfs/dbraw/zinc/19/45/16/722194516.db2.gz KKHKQORNLFDEQQ-MUUNZHRXSA-N 2 2 457.597 4.419 20 0 JIADLP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncnc4c2C[NH+](Cc2ccccc2)CC4)C3)c1 ZINC001164993993 722194521 /nfs/dbraw/zinc/19/45/21/722194521.db2.gz KKHKQORNLFDEQQ-MUUNZHRXSA-N 2 2 457.597 4.419 20 0 JIADLP Fc1cccc(C[NH+]2CC[C@@]23CCCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)c1 ZINC001164993993 722194524 /nfs/dbraw/zinc/19/45/24/722194524.db2.gz KKHKQORNLFDEQQ-MUUNZHRXSA-N 2 2 457.597 4.419 20 0 JIADLP Fc1cccc(C[NH+]2CC[C@@]23CCCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)c1 ZINC001164993993 722194526 /nfs/dbraw/zinc/19/45/26/722194526.db2.gz KKHKQORNLFDEQQ-MUUNZHRXSA-N 2 2 457.597 4.419 20 0 JIADLP COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCNc2cccc[nH+]2)c1 ZINC001315568114 1064602434 /nfs/dbraw/zinc/60/24/34/1064602434.db2.gz XJDZVLOEKUOFHR-UHFFFAOYSA-N 2 2 477.657 4.409 20 0 JIADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)CC1 ZINC001200088152 1067583090 /nfs/dbraw/zinc/58/30/90/1067583090.db2.gz KRJJMPLUMOSLEB-UHFFFAOYSA-N 2 2 451.945 4.443 20 0 JIADLP CC[C@@H](C)CNC(=S)Nc1cc(-c2cccc(C[NH+]3CCOCC3)c2)ccc1N1CC[NH+](C)CC1 ZINC001200270528 1067919886 /nfs/dbraw/zinc/91/98/86/1067919886.db2.gz XBOKSCRFTGXNFS-JOCHJYFZSA-N 2 2 495.737 4.270 20 0 JIADLP CC(C)[N@H+](C)Cc1nn(-c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)c2c1CC[NH2+]C2 ZINC001164679439 719648076 /nfs/dbraw/zinc/64/80/76/719648076.db2.gz ALVVUGIBDOEVKF-UHFFFAOYSA-N 3 2 475.666 4.092 20 0 JIADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)c2c1CC[NH2+]C2 ZINC001164679439 719648083 /nfs/dbraw/zinc/64/80/83/719648083.db2.gz ALVVUGIBDOEVKF-UHFFFAOYSA-N 3 2 475.666 4.092 20 0 JIADLP CC(C)[N@H+](C)Cc1nn(-c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)c2c1CC[NH2+]C2 ZINC001164679439 719648092 /nfs/dbraw/zinc/64/80/92/719648092.db2.gz ALVVUGIBDOEVKF-UHFFFAOYSA-N 2 2 475.666 4.092 20 0 JIADLP CC(C)[N@@H+](C)Cc1nn(-c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)c2c1CC[NH2+]C2 ZINC001164679439 719648096 /nfs/dbraw/zinc/64/80/96/719648096.db2.gz ALVVUGIBDOEVKF-UHFFFAOYSA-N 2 2 475.666 4.092 20 0 JIADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819162 720169716 /nfs/dbraw/zinc/16/97/16/720169716.db2.gz WGSAFQHJMQKUQF-YWEHKCAJSA-N 2 2 459.638 4.281 20 0 JIADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819162 720169717 /nfs/dbraw/zinc/16/97/17/720169717.db2.gz WGSAFQHJMQKUQF-YWEHKCAJSA-N 2 2 459.638 4.281 20 0 JIADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164802487 721577764 /nfs/dbraw/zinc/57/77/64/721577764.db2.gz GFICDKXWFVVOGJ-HWBMXIPRSA-N 2 2 494.709 4.413 20 0 JIADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164802487 721577767 /nfs/dbraw/zinc/57/77/67/721577767.db2.gz GFICDKXWFVVOGJ-HWBMXIPRSA-N 2 2 494.709 4.413 20 0 JIADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001332854132 1066380006 /nfs/dbraw/zinc/38/00/06/1066380006.db2.gz VCCOZSSWCXTTAK-NZQKXSOJSA-N 2 2 478.662 4.013 20 0 JIADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001332854132 1066380030 /nfs/dbraw/zinc/38/00/30/1066380030.db2.gz VCCOZSSWCXTTAK-NZQKXSOJSA-N 2 2 478.662 4.013 20 0 JIADLP COc1cc[nH+]cc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300694820 1067049819 /nfs/dbraw/zinc/04/98/19/1067049819.db2.gz DZIWEIWYAABHTQ-UHFFFAOYSA-N 2 2 478.641 4.271 20 0 JIADLP CC[C@H](C)CNC(=S)Nc1cc(-c2cccc(C[NH+]3CCOCC3)c2)ccc1N1CC[NH+](C)CC1 ZINC001200270529 1067919748 /nfs/dbraw/zinc/91/97/48/1067919748.db2.gz XBOKSCRFTGXNFS-QFIPXVFZSA-N 2 2 495.737 4.270 20 0 JIADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001358153147 1068032256 /nfs/dbraw/zinc/03/22/56/1068032256.db2.gz FRTKFDXRBQRIER-UHFFFAOYSA-N 2 2 459.413 4.027 20 0 JIADLP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499298 1069069527 /nfs/dbraw/zinc/06/95/27/1069069527.db2.gz VDXRKXZATNJCRW-BJKOFHAPSA-N 2 2 498.096 4.182 20 0 JIADLP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499298 1069069534 /nfs/dbraw/zinc/06/95/34/1069069534.db2.gz VDXRKXZATNJCRW-BJKOFHAPSA-N 2 2 498.096 4.182 20 0 JIADLP C[C@H]([NH2+]C1(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CCOCC1)c1ccccc1 ZINC001200661175 1069205595 /nfs/dbraw/zinc/20/55/95/1069205595.db2.gz JTISAFVLAJMWTM-QFIPXVFZSA-N 2 2 451.611 4.277 20 0 JIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C[NH+](C)C3CC3)cn1)CC2 ZINC001164660694 719354721 /nfs/dbraw/zinc/35/47/21/719354721.db2.gz XKPUGEBCRVGJCH-UHFFFAOYSA-N 2 2 456.638 4.371 20 0 JIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C[NH+](C)C3CC3)cn1)CC2 ZINC001164660694 719354725 /nfs/dbraw/zinc/35/47/25/719354725.db2.gz XKPUGEBCRVGJCH-UHFFFAOYSA-N 2 2 456.638 4.371 20 0 JIADLP CC[NH+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164660694 719354727 /nfs/dbraw/zinc/35/47/27/719354727.db2.gz XKPUGEBCRVGJCH-UHFFFAOYSA-N 2 2 456.638 4.371 20 0 JIADLP CC[NH+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164660694 719354730 /nfs/dbraw/zinc/35/47/30/719354730.db2.gz XKPUGEBCRVGJCH-UHFFFAOYSA-N 2 2 456.638 4.371 20 0 JIADLP CCSc1cc[nH+]c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164687183 719682240 /nfs/dbraw/zinc/68/22/40/719682240.db2.gz QNHISOPWUGBRLO-HXUWFJFHSA-N 2 2 452.668 4.287 20 0 JIADLP COC(=O)C[C@@H](c1cc[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1)C1CC1 ZINC001164840984 720710170 /nfs/dbraw/zinc/71/01/70/720710170.db2.gz UBSWWJKMYLSPTF-LOSJGSFVSA-N 2 2 463.622 4.398 20 0 JIADLP COC(=O)C[C@@H](c1cc[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1)C1CC1 ZINC001164840984 720710183 /nfs/dbraw/zinc/71/01/83/720710183.db2.gz UBSWWJKMYLSPTF-LOSJGSFVSA-N 2 2 463.622 4.398 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164748036 720847418 /nfs/dbraw/zinc/84/74/18/720847418.db2.gz SHMJLKAFHIBDQI-KKUQBAQOSA-N 2 2 496.663 4.067 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164748036 720847419 /nfs/dbraw/zinc/84/74/19/720847419.db2.gz SHMJLKAFHIBDQI-KKUQBAQOSA-N 2 2 496.663 4.067 20 0 JIADLP c1csc(C[NH+]2C[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164783597 721427520 /nfs/dbraw/zinc/42/75/20/721427520.db2.gz JBVIPDLRCQNQHS-QZTJIDSGSA-N 2 2 480.707 4.191 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164806266 721577709 /nfs/dbraw/zinc/57/77/09/721577709.db2.gz MQVRPUHEKHZEKL-WRALFONMSA-N 2 2 492.693 4.167 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164806266 721577711 /nfs/dbraw/zinc/57/77/11/721577711.db2.gz MQVRPUHEKHZEKL-WRALFONMSA-N 2 2 492.693 4.167 20 0 JIADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[NH+](C4CCCC4)CC3)c2c1C ZINC001165032340 721859980 /nfs/dbraw/zinc/85/99/80/721859980.db2.gz RCPXDQRSUKPNBD-UHFFFAOYSA-N 2 2 471.671 4.227 20 0 JIADLP CC(C)(C)CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CCCNc2cccc[nH+]2)CC1 ZINC001359547315 1069852496 /nfs/dbraw/zinc/85/24/96/1069852496.db2.gz KYHYHRFMUPFXHC-UHFFFAOYSA-N 2 2 453.679 4.466 20 0 JIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3nnc4c(Cl)cc(C(F)(F)F)cn34)CC2)cc1 ZINC001200323752 1068076012 /nfs/dbraw/zinc/07/60/12/1068076012.db2.gz UTHJFMWSQILTRC-UHFFFAOYSA-N 2 2 452.912 4.226 20 0 JIADLP Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)n1 ZINC001164415757 718890498 /nfs/dbraw/zinc/89/04/98/718890498.db2.gz AOXDYBQWMOLHDB-KRWDZBQOSA-N 2 2 476.806 4.319 20 0 JIADLP Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)n1 ZINC001164415758 718890554 /nfs/dbraw/zinc/89/05/54/718890554.db2.gz AOXDYBQWMOLHDB-QGZVFWFLSA-N 2 2 476.806 4.319 20 0 JIADLP Fc1cccc(N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164649186 719296656 /nfs/dbraw/zinc/29/66/56/719296656.db2.gz HGFVPYXZJOPVTR-UFHPHHKVSA-N 2 2 473.596 4.223 20 0 JIADLP Fc1cccc(N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164649186 719296663 /nfs/dbraw/zinc/29/66/63/719296663.db2.gz HGFVPYXZJOPVTR-UFHPHHKVSA-N 2 2 473.596 4.223 20 0 JIADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)cc1 ZINC001164706896 719904524 /nfs/dbraw/zinc/90/45/24/719904524.db2.gz LLHNFSRKMOSCDP-UHFFFAOYSA-N 2 2 479.650 4.055 20 0 JIADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)cc1 ZINC001164706896 719904545 /nfs/dbraw/zinc/90/45/45/719904545.db2.gz LLHNFSRKMOSCDP-UHFFFAOYSA-N 2 2 479.650 4.055 20 0 JIADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819136 720168492 /nfs/dbraw/zinc/16/84/92/720168492.db2.gz WGSAFQHJMQKUQF-CUBQBAPOSA-N 2 2 459.638 4.281 20 0 JIADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819136 720168501 /nfs/dbraw/zinc/16/85/01/720168501.db2.gz WGSAFQHJMQKUQF-CUBQBAPOSA-N 2 2 459.638 4.281 20 0 JIADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)nc[nH+]1)CC2 ZINC001164838995 720719858 /nfs/dbraw/zinc/71/98/58/720719858.db2.gz JZEYMVBUAOBJPN-HHHXNRCGSA-N 2 2 498.675 4.063 20 0 JIADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)nc[nH+]1)CC2 ZINC001164838995 720719874 /nfs/dbraw/zinc/71/98/74/720719874.db2.gz JZEYMVBUAOBJPN-HHHXNRCGSA-N 2 2 498.675 4.063 20 0 JIADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)CC2 ZINC001164838995 720719880 /nfs/dbraw/zinc/71/98/80/720719880.db2.gz JZEYMVBUAOBJPN-HHHXNRCGSA-N 2 2 498.675 4.063 20 0 JIADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)CC2 ZINC001164838995 720719896 /nfs/dbraw/zinc/71/98/96/720719896.db2.gz JZEYMVBUAOBJPN-HHHXNRCGSA-N 2 2 498.675 4.063 20 0 JIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C3CCCC3)C2)C1 ZINC001164779510 721353899 /nfs/dbraw/zinc/35/38/99/721353899.db2.gz UMODKVNFZNLOSW-SANMLTNESA-N 2 2 464.614 4.270 20 0 JIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C3CCCC3)C2)C1 ZINC001164779510 721353901 /nfs/dbraw/zinc/35/39/01/721353901.db2.gz UMODKVNFZNLOSW-SANMLTNESA-N 2 2 464.614 4.270 20 0 JIADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164790210 721426444 /nfs/dbraw/zinc/42/64/44/721426444.db2.gz XFTXMFVGDVMVRD-HDICACEKSA-N 2 2 456.685 4.175 20 0 JIADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164790210 721426445 /nfs/dbraw/zinc/42/64/45/721426445.db2.gz XFTXMFVGDVMVRD-HDICACEKSA-N 2 2 456.685 4.175 20 0 JIADLP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C3)n2)CCC4)CC1 ZINC001164787397 721426461 /nfs/dbraw/zinc/42/64/61/721426461.db2.gz QTLGESODPWMILL-KDURUIRLSA-N 2 2 494.734 4.437 20 0 JIADLP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C3)n2)CCC4)CC1 ZINC001164787397 721426464 /nfs/dbraw/zinc/42/64/64/721426464.db2.gz QTLGESODPWMILL-KDURUIRLSA-N 2 2 494.734 4.437 20 0 JIADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164802498 721578292 /nfs/dbraw/zinc/57/82/92/721578292.db2.gz GFICDKXWFVVOGJ-SLSDLSHTSA-N 2 2 494.709 4.413 20 0 JIADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164802498 721578299 /nfs/dbraw/zinc/57/82/99/721578299.db2.gz GFICDKXWFVVOGJ-SLSDLSHTSA-N 2 2 494.709 4.413 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300696513 1067053938 /nfs/dbraw/zinc/05/39/38/1067053938.db2.gz DEJKRVHPYIATHX-JOCHJYFZSA-N 2 2 462.642 4.277 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001300696513 1067053955 /nfs/dbraw/zinc/05/39/55/1067053955.db2.gz DEJKRVHPYIATHX-JOCHJYFZSA-N 2 2 462.642 4.277 20 0 JIADLP CC[C@H](C)NC(=S)Nc1cc(-c2cccc(C[NH+]3CCOCC3)c2)ccc1N1CC[NH+](C)CC1 ZINC001200496930 1068750935 /nfs/dbraw/zinc/75/09/35/1068750935.db2.gz PWRRIVAIDWZORC-NRFANRHFSA-N 2 2 481.710 4.023 20 0 JIADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)CC2 ZINC001164789255 721459972 /nfs/dbraw/zinc/45/99/72/721459972.db2.gz WBLPAIPMSUMDOY-QFIPXVFZSA-N 2 2 453.627 4.286 20 0 JIADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)CC2 ZINC001164789255 721459974 /nfs/dbraw/zinc/45/99/74/721459974.db2.gz WBLPAIPMSUMDOY-QFIPXVFZSA-N 2 2 453.627 4.286 20 0 JIADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907381 721704782 /nfs/dbraw/zinc/70/47/82/721704782.db2.gz RIWLCJTUKWDGAB-RUZDIDTESA-N 2 2 498.578 4.111 20 0 JIADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907381 721704789 /nfs/dbraw/zinc/70/47/89/721704789.db2.gz RIWLCJTUKWDGAB-RUZDIDTESA-N 2 2 498.578 4.111 20 0 JIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001165021290 721838942 /nfs/dbraw/zinc/83/89/42/721838942.db2.gz KWMFHIDPIQFMGV-UHFFFAOYSA-N 2 2 487.648 4.153 20 0 JIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001165021290 721838944 /nfs/dbraw/zinc/83/89/44/721838944.db2.gz KWMFHIDPIQFMGV-UHFFFAOYSA-N 2 2 487.648 4.153 20 0 JIADLP COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCNc2cccc[nH+]2)cc1 ZINC001315530897 1064514866 /nfs/dbraw/zinc/51/48/66/1064514866.db2.gz OHIYLFGGAYHJKF-UHFFFAOYSA-N 2 2 493.656 4.074 20 0 JIADLP COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCNc2cccc[nH+]2)cc1 ZINC001315530897 1064514889 /nfs/dbraw/zinc/51/48/89/1064514889.db2.gz OHIYLFGGAYHJKF-UHFFFAOYSA-N 2 2 493.656 4.074 20 0 JIADLP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cc(Cl)ccc3OCc3cccnc3)c2)CC1 ZINC001318629619 1067058109 /nfs/dbraw/zinc/05/81/09/1067058109.db2.gz GMVTUUMSSCGHHF-UHFFFAOYSA-N 2 2 451.014 4.351 20 0 JIADLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cc(Cl)ccc3OCc3cccnc3)c2)CC1 ZINC001318629619 1067058121 /nfs/dbraw/zinc/05/81/21/1067058121.db2.gz GMVTUUMSSCGHHF-UHFFFAOYSA-N 2 2 451.014 4.351 20 0 JIADLP COc1ccc(CCNC(=[NH2+])NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1OC ZINC000849074115 1067797511 /nfs/dbraw/zinc/79/75/11/1067797511.db2.gz HMSRTKMCWMYCAD-UHFFFAOYSA-N 2 2 469.589 4.472 20 0 JIADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)c2)cc[nH+]1 ZINC000622373341 1068361884 /nfs/dbraw/zinc/36/18/84/1068361884.db2.gz LAFNBFCESJSVFA-QFIPXVFZSA-N 2 2 469.511 4.420 20 0 JIADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)c2)cc[nH+]1 ZINC000622373341 1068361902 /nfs/dbraw/zinc/36/19/02/1068361902.db2.gz LAFNBFCESJSVFA-QFIPXVFZSA-N 2 2 469.511 4.420 20 0 JIADLP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499300 1069069734 /nfs/dbraw/zinc/06/97/34/1069069734.db2.gz VDXRKXZATNJCRW-DNQXCXABSA-N 2 2 498.096 4.182 20 0 JIADLP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499300 1069069743 /nfs/dbraw/zinc/06/97/43/1069069743.db2.gz VDXRKXZATNJCRW-DNQXCXABSA-N 2 2 498.096 4.182 20 0 JIADLP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CC[N@H+]4CC)[nH+]cc21 ZINC001164658964 719353312 /nfs/dbraw/zinc/35/33/12/719353312.db2.gz NMNVBJUPXYJDJL-UHFFFAOYSA-N 2 2 484.604 4.434 20 0 JIADLP CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CC[N@@H+]4CC)[nH+]cc21 ZINC001164658964 719353314 /nfs/dbraw/zinc/35/33/14/719353314.db2.gz NMNVBJUPXYJDJL-UHFFFAOYSA-N 2 2 484.604 4.434 20 0 JIADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)CC2 ZINC001164710793 720153958 /nfs/dbraw/zinc/15/39/58/720153958.db2.gz CSENXEHRFRCCFZ-OAQYLSRUSA-N 2 2 462.594 4.155 20 0 JIADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)CC2 ZINC001164710793 720153971 /nfs/dbraw/zinc/15/39/71/720153971.db2.gz CSENXEHRFRCCFZ-OAQYLSRUSA-N 2 2 462.594 4.155 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164825953 720339643 /nfs/dbraw/zinc/33/96/43/720339643.db2.gz KASCDWYCCCGUII-DQEYMECFSA-N 2 2 486.664 4.008 20 0 JIADLP COC(=O)C[C@H](c1cc[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1)C1CC1 ZINC001164840986 720709847 /nfs/dbraw/zinc/70/98/47/720709847.db2.gz UBSWWJKMYLSPTF-RPBOFIJWSA-N 2 2 463.622 4.398 20 0 JIADLP COC(=O)C[C@H](c1cc[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1)C1CC1 ZINC001164840986 720709851 /nfs/dbraw/zinc/70/98/51/720709851.db2.gz UBSWWJKMYLSPTF-RPBOFIJWSA-N 2 2 463.622 4.398 20 0 JIADLP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750185 720932512 /nfs/dbraw/zinc/93/25/12/720932512.db2.gz JQXDTBNTQHGSEC-SKCUWOTOSA-N 2 2 457.622 4.202 20 0 JIADLP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750185 720932522 /nfs/dbraw/zinc/93/25/22/720932522.db2.gz JQXDTBNTQHGSEC-SKCUWOTOSA-N 2 2 457.622 4.202 20 0 JIADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C4)c23)C1 ZINC001164782741 721427559 /nfs/dbraw/zinc/42/75/59/721427559.db2.gz HRCJPXJKLFXEFU-GUDVDZBRSA-N 2 2 494.734 4.437 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[NH+](CCc4ccccn4)CC3)c2c1C ZINC001165056112 722016987 /nfs/dbraw/zinc/01/69/87/722016987.db2.gz WKKQKOFTXRRMIR-UHFFFAOYSA-N 2 2 450.656 4.054 20 0 JIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165055605 722018659 /nfs/dbraw/zinc/01/86/59/722018659.db2.gz RBDOILYGOXUGRC-UHFFFAOYSA-N 2 2 458.635 4.180 20 0 JIADLP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4c2CC[NH+](Cc2ccccc2)C4)C3)c1 ZINC001164994729 722198381 /nfs/dbraw/zinc/19/83/81/722198381.db2.gz PLLBIJOGSLKGJE-NDEPHWFRSA-N 2 2 457.597 4.419 20 0 JIADLP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4c2CC[NH+](Cc2ccccc2)C4)C3)c1 ZINC001164994729 722198384 /nfs/dbraw/zinc/19/83/84/722198384.db2.gz PLLBIJOGSLKGJE-NDEPHWFRSA-N 2 2 457.597 4.419 20 0 JIADLP Fc1cccc(C[NH+]2CC[C@]23CCCN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)C3)c1 ZINC001164994729 722198387 /nfs/dbraw/zinc/19/83/87/722198387.db2.gz PLLBIJOGSLKGJE-NDEPHWFRSA-N 2 2 457.597 4.419 20 0 JIADLP Fc1cccc(C[NH+]2CC[C@]23CCCN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)C3)c1 ZINC001164994729 722198390 /nfs/dbraw/zinc/19/83/90/722198390.db2.gz PLLBIJOGSLKGJE-NDEPHWFRSA-N 2 2 457.597 4.419 20 0 JIADLP CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001359549923 1069858066 /nfs/dbraw/zinc/85/80/66/1069858066.db2.gz HLMRUSUNAXENIQ-UHFFFAOYSA-N 2 2 484.048 4.328 20 0 JIADLP CC(C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001359679272 1070334886 /nfs/dbraw/zinc/33/48/86/1070334886.db2.gz CPIYUBYFGYSXGA-QFIPXVFZSA-N 2 2 477.097 4.152 20 0 JIADLP COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315669440 1064896899 /nfs/dbraw/zinc/89/68/99/1064896899.db2.gz KYDMSYCYKOOYLO-UHFFFAOYSA-N 2 2 499.457 4.470 20 0 JIADLP COc1cc[nH+]cc1Cn1c(-c2ccccc2Br)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001315669440 1064896905 /nfs/dbraw/zinc/89/69/05/1064896905.db2.gz KYDMSYCYKOOYLO-UHFFFAOYSA-N 2 2 499.457 4.470 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001315672352 1064903065 /nfs/dbraw/zinc/90/30/65/1064903065.db2.gz OZALREJFRPPCFX-OAQYLSRUSA-N 2 2 462.642 4.419 20 0 JIADLP COc1cc[nH+]cc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001315672352 1064903078 /nfs/dbraw/zinc/90/30/78/1064903078.db2.gz OZALREJFRPPCFX-OAQYLSRUSA-N 2 2 462.642 4.419 20 0 JIADLP COc1ccc(C[NH+]2CCN(c3nnc(C(C)C)n3CC3([NH+](C)C)CCCCC3)CC2)cc1F ZINC001300229914 1067904165 /nfs/dbraw/zinc/90/41/65/1067904165.db2.gz AURFIZOMWYTKOT-UHFFFAOYSA-N 2 2 472.653 4.136 20 0 JIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4sc(Nc5ccccc5)nc4s3)CC2)CC1 ZINC000497450915 1068185918 /nfs/dbraw/zinc/18/59/18/1068185918.db2.gz HOKQVFZDAYJTQR-UHFFFAOYSA-N 2 2 455.653 4.390 20 0 JIADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(SCc3ccccc3)cc[nH+]2)CC1 ZINC001164829178 720344043 /nfs/dbraw/zinc/34/40/43/720344043.db2.gz QWCPMNCHXQUOGF-BJKOFHAPSA-N 2 2 450.652 4.285 20 0 JIADLP COc1ccc2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164750936 720900095 /nfs/dbraw/zinc/90/00/95/720900095.db2.gz CGTJOKQKGIKQOR-UFHPHHKVSA-N 2 2 458.606 4.394 20 0 JIADLP COc1ccc2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164750936 720900103 /nfs/dbraw/zinc/90/01/03/720900103.db2.gz CGTJOKQKGIKQOR-UFHPHHKVSA-N 2 2 458.606 4.394 20 0 JIADLP COc1cc2[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749990 720932239 /nfs/dbraw/zinc/93/22/39/720932239.db2.gz IRCXSRXRYGVUFT-IADCTJSHSA-N 2 2 488.632 4.402 20 0 JIADLP COc1cc2[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749990 720932247 /nfs/dbraw/zinc/93/22/47/720932247.db2.gz IRCXSRXRYGVUFT-IADCTJSHSA-N 2 2 488.632 4.402 20 0 JIADLP Cc1ccc(C[NH+]2CCC3(CCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC3)CC2)cc1 ZINC001164758651 721046176 /nfs/dbraw/zinc/04/61/76/721046176.db2.gz ADIKPKPMIKGCNF-UHFFFAOYSA-N 2 2 475.685 4.263 20 0 JIADLP Cc1ccc(C[NH+]2CCC3(CCN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC3)CC2)cc1 ZINC001164758651 721046182 /nfs/dbraw/zinc/04/61/82/721046182.db2.gz ADIKPKPMIKGCNF-UHFFFAOYSA-N 2 2 475.685 4.263 20 0 JIADLP CN(C)C1=[NH+]OC2(C1)CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)CC2 ZINC001164878034 721327068 /nfs/dbraw/zinc/32/70/68/721327068.db2.gz YABDWYVMAKDXNK-UHFFFAOYSA-N 2 2 496.055 4.391 20 0 JIADLP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164790215 721426609 /nfs/dbraw/zinc/42/66/09/721426609.db2.gz XFTXMFVGDVMVRD-QZTJIDSGSA-N 2 2 456.685 4.175 20 0 JIADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)nc[nH+]1)CC2 ZINC001164795084 721502506 /nfs/dbraw/zinc/50/25/06/721502506.db2.gz CUHPMPJWKUBTNR-UHFFFAOYSA-N 2 2 483.664 4.079 20 0 JIADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)nc[nH+]1)CC2 ZINC001164795084 721502509 /nfs/dbraw/zinc/50/25/09/721502509.db2.gz CUHPMPJWKUBTNR-UHFFFAOYSA-N 2 2 483.664 4.079 20 0 JIADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)CC2 ZINC001164795084 721502511 /nfs/dbraw/zinc/50/25/11/721502511.db2.gz CUHPMPJWKUBTNR-UHFFFAOYSA-N 2 2 483.664 4.079 20 0 JIADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)CC2 ZINC001164795084 721502514 /nfs/dbraw/zinc/50/25/14/721502514.db2.gz CUHPMPJWKUBTNR-UHFFFAOYSA-N 2 2 483.664 4.079 20 0 JIADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164909143 721732807 /nfs/dbraw/zinc/73/28/07/721732807.db2.gz CKDUAUCDRLUIPU-AREMUKBSSA-N 2 2 494.590 4.254 20 0 JIADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164909143 721732809 /nfs/dbraw/zinc/73/28/09/721732809.db2.gz CKDUAUCDRLUIPU-AREMUKBSSA-N 2 2 494.590 4.254 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001315516123 1064464223 /nfs/dbraw/zinc/46/42/23/1064464223.db2.gz ZHGLMJZYQZRXGG-UHFFFAOYSA-N 2 2 474.669 4.164 20 0 JIADLP COc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)COc3ccc(Cl)cc3Br)CC2)c1 ZINC001336957602 1066453042 /nfs/dbraw/zinc/45/30/42/1066453042.db2.gz WGPLDSABWBXTCN-LJQANCHMSA-N 2 2 483.834 4.105 20 0 JIADLP COc1cc[nH+]cc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300693993 1067047172 /nfs/dbraw/zinc/04/71/72/1067047172.db2.gz MJTIEKGJIFQDRC-UHFFFAOYSA-N 2 2 499.457 4.435 20 0 JIADLP C[C@H](c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1)[NH+]1CCOCC1 ZINC001200122142 1067684284 /nfs/dbraw/zinc/68/42/84/1067684284.db2.gz PYDSWQKGKWJKRK-HXUWFJFHSA-N 2 2 457.018 4.473 20 0 JIADLP C[C@H](c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1)[NH+]1CCOCC1 ZINC001200122142 1067684297 /nfs/dbraw/zinc/68/42/97/1067684297.db2.gz PYDSWQKGKWJKRK-HXUWFJFHSA-N 2 2 457.018 4.473 20 0 JIADLP CCCCNC(=S)Nc1cc(-c2cccc(C[NH+]3CCOCC3)c2)ccc1N1CC[NH+](C)CC1 ZINC001200458236 1068628457 /nfs/dbraw/zinc/62/84/57/1068628457.db2.gz JFQPRYIDNZGNJU-UHFFFAOYSA-N 2 2 481.710 4.024 20 0 JIADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518289 1069105090 /nfs/dbraw/zinc/10/50/90/1069105090.db2.gz GNDFPMIJOOYJNF-FQLXRVMXSA-N 2 2 496.659 4.462 20 0 JIADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518289 1069105100 /nfs/dbraw/zinc/10/51/00/1069105100.db2.gz GNDFPMIJOOYJNF-FQLXRVMXSA-N 2 2 496.659 4.462 20 0 JIADLP Cc1sc2ncnc(Sc3ccccc3C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2c1C ZINC001300612764 1069221845 /nfs/dbraw/zinc/22/18/45/1069221845.db2.gz GIDVVPUAJAFOHY-UHFFFAOYSA-N 2 2 457.669 4.073 20 0 JIADLP Cc1sc2ncnc(Sc3ccccc3C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2c1C ZINC001300612764 1069221860 /nfs/dbraw/zinc/22/18/60/1069221860.db2.gz GIDVVPUAJAFOHY-UHFFFAOYSA-N 2 2 457.669 4.073 20 0 JIADLP COc1ccc2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164750940 720900556 /nfs/dbraw/zinc/90/05/56/720900556.db2.gz CGTJOKQKGIKQOR-YWEHKCAJSA-N 2 2 458.606 4.394 20 0 JIADLP COc1ccc2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164750940 720900562 /nfs/dbraw/zinc/90/05/62/720900562.db2.gz CGTJOKQKGIKQOR-YWEHKCAJSA-N 2 2 458.606 4.394 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164791102 721426714 /nfs/dbraw/zinc/42/67/14/721426714.db2.gz ZQIURYZGLPVUHS-KDURUIRLSA-N 2 2 468.696 4.319 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164791102 721426715 /nfs/dbraw/zinc/42/67/15/721426715.db2.gz ZQIURYZGLPVUHS-KDURUIRLSA-N 2 2 468.696 4.319 20 0 JIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787371 721432760 /nfs/dbraw/zinc/43/27/60/721432760.db2.gz QMTNNCXIFIQSAA-KDURUIRLSA-N 2 2 476.675 4.445 20 0 JIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787371 721432764 /nfs/dbraw/zinc/43/27/64/721432764.db2.gz QMTNNCXIFIQSAA-KDURUIRLSA-N 2 2 476.675 4.445 20 0 JIADLP COc1cc[nH+]cc1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001315673336 1064906258 /nfs/dbraw/zinc/90/62/58/1064906258.db2.gz ZFNKTRANCLDUEP-UHFFFAOYSA-N 2 2 478.641 4.236 20 0 JIADLP COc1cc[nH+]cc1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001315673336 1064906276 /nfs/dbraw/zinc/90/62/76/1064906276.db2.gz ZFNKTRANCLDUEP-UHFFFAOYSA-N 2 2 478.641 4.236 20 0 JIADLP COCC[N@@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@H]1C ZINC001316138918 1065804945 /nfs/dbraw/zinc/80/49/45/1065804945.db2.gz XVCWECAMHSYFFR-HYBUGGRVSA-N 2 2 489.108 4.124 20 0 JIADLP COCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@H]1C ZINC001316138918 1065804947 /nfs/dbraw/zinc/80/49/47/1065804947.db2.gz XVCWECAMHSYFFR-HYBUGGRVSA-N 2 2 489.108 4.124 20 0 JIADLP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cc(Br)ccc3OC(F)F)c2)CC1 ZINC001327212737 1066313646 /nfs/dbraw/zinc/31/36/46/1066313646.db2.gz KFOUTGXBHLAHRU-UHFFFAOYSA-N 2 2 454.359 4.088 20 0 JIADLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cc(Br)ccc3OC(F)F)c2)CC1 ZINC001327212737 1066313666 /nfs/dbraw/zinc/31/36/66/1066313666.db2.gz KFOUTGXBHLAHRU-UHFFFAOYSA-N 2 2 454.359 4.088 20 0 JIADLP COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1OC ZINC000849062296 1067792139 /nfs/dbraw/zinc/79/21/39/1067792139.db2.gz MXPXKYAFGRAIHI-NRFANRHFSA-N 2 2 450.608 4.179 20 0 JIADLP COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1OC ZINC000849062296 1067792146 /nfs/dbraw/zinc/79/21/46/1067792146.db2.gz MXPXKYAFGRAIHI-NRFANRHFSA-N 2 2 450.608 4.179 20 0 JIADLP COc1ccc(CCNC(=[NH2+])NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1OC ZINC000849062264 1067792472 /nfs/dbraw/zinc/79/24/72/1067792472.db2.gz XQDRJWYGBGQCDH-QFIPXVFZSA-N 2 2 464.635 4.221 20 0 JIADLP COc1ccc(CCNC(=[NH2+])NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1OC ZINC000849062264 1067792491 /nfs/dbraw/zinc/79/24/91/1067792491.db2.gz XQDRJWYGBGQCDH-QFIPXVFZSA-N 2 2 464.635 4.221 20 0 JIADLP CC[C@@H](C)NC(=S)Nc1cc(-c2cccc(C[NH+]3CCOCC3)c2)ccc1N1CC[NH+](C)CC1 ZINC001200496932 1068751104 /nfs/dbraw/zinc/75/11/04/1068751104.db2.gz PWRRIVAIDWZORC-OAQYLSRUSA-N 2 2 481.710 4.023 20 0 JIADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CCCC[NH2+]4)CC3)c2c1C ZINC001164386886 718803367 /nfs/dbraw/zinc/80/33/67/718803367.db2.gz GPJQLYMNIORUJL-UHFFFAOYSA-N 2 2 471.671 4.275 20 0 JIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)n1 ZINC001164639657 719267249 /nfs/dbraw/zinc/26/72/49/719267249.db2.gz QOWQCEUVPAQPEZ-UHFFFAOYSA-N 2 2 498.616 4.182 20 0 JIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164658517 719352983 /nfs/dbraw/zinc/35/29/83/719352983.db2.gz HZNVDSKLOVLNEJ-UHFFFAOYSA-N 2 2 486.664 4.251 20 0 JIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164658517 719352984 /nfs/dbraw/zinc/35/29/84/719352984.db2.gz HZNVDSKLOVLNEJ-UHFFFAOYSA-N 2 2 486.664 4.251 20 0 JIADLP COC(=O)C[C@H](c1cc[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1)C1CC1 ZINC001164840979 720709981 /nfs/dbraw/zinc/70/99/81/720709981.db2.gz UBSWWJKMYLSPTF-DQEYMECFSA-N 2 2 463.622 4.398 20 0 JIADLP COC(=O)C[C@H](c1cc[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1)C1CC1 ZINC001164840979 720709991 /nfs/dbraw/zinc/70/99/91/720709991.db2.gz UBSWWJKMYLSPTF-DQEYMECFSA-N 2 2 463.622 4.398 20 0 JIADLP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[NH+](CCc5ccccn5)CC4)c23)C1 ZINC001165055301 722017548 /nfs/dbraw/zinc/01/75/48/722017548.db2.gz PGFSJMOLYNEZAM-FQEVSTJZSA-N 2 2 476.694 4.172 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164978879 722141540 /nfs/dbraw/zinc/14/15/40/722141540.db2.gz KGDBQFWXTBTHQV-FTJBHMTQSA-N 2 2 482.632 4.219 20 0 JIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164978879 722141544 /nfs/dbraw/zinc/14/15/44/722141544.db2.gz KGDBQFWXTBTHQV-FTJBHMTQSA-N 2 2 482.632 4.219 20 0 JIADLP CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359678270 1070333393 /nfs/dbraw/zinc/33/33/93/1070333393.db2.gz ANEFNBZXYOWUDM-ZJSXRUAMSA-N 2 2 461.658 4.400 20 0 JIADLP CC(C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359678270 1070333415 /nfs/dbraw/zinc/33/34/15/1070333415.db2.gz ANEFNBZXYOWUDM-ZJSXRUAMSA-N 2 2 461.658 4.400 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001315515698 1064463258 /nfs/dbraw/zinc/46/32/58/1064463258.db2.gz QSUVTWDDUVWDPY-QFIPXVFZSA-N 2 2 486.680 4.211 20 0 JIADLP COc1ccc(F)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001315515698 1064463269 /nfs/dbraw/zinc/46/32/69/1064463269.db2.gz QSUVTWDDUVWDPY-QFIPXVFZSA-N 2 2 486.680 4.211 20 0 JIADLP Cc1cccc(-c2nnc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001492518349 1066377433 /nfs/dbraw/zinc/37/74/33/1066377433.db2.gz BRVPRPQJSVYRRW-UHFFFAOYSA-N 2 2 482.076 4.212 20 0 JIADLP COc1ccc(CNC(=[NH2+])NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1OC ZINC000849074128 1067797330 /nfs/dbraw/zinc/79/73/30/1067797330.db2.gz IZDWZENAGSCJOD-UHFFFAOYSA-N 2 2 455.562 4.430 20 0 JIADLP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495394 1069065918 /nfs/dbraw/zinc/06/59/18/1069065918.db2.gz CKKGXWQULIXXTD-GGAORHGYSA-N 2 2 498.096 4.182 20 0 JIADLP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495394 1069065927 /nfs/dbraw/zinc/06/59/27/1069065927.db2.gz CKKGXWQULIXXTD-GGAORHGYSA-N 2 2 498.096 4.182 20 0 JIADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518290 1069104982 /nfs/dbraw/zinc/10/49/82/1069104982.db2.gz GNDFPMIJOOYJNF-URLMMPGGSA-N 2 2 496.659 4.462 20 0 JIADLP CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518290 1069104990 /nfs/dbraw/zinc/10/49/90/1069104990.db2.gz GNDFPMIJOOYJNF-URLMMPGGSA-N 2 2 496.659 4.462 20 0 JIADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518292 1069105126 /nfs/dbraw/zinc/10/51/26/1069105126.db2.gz GNDFPMIJOOYJNF-WDYNHAJCSA-N 2 2 496.659 4.462 20 0 JIADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518292 1069105131 /nfs/dbraw/zinc/10/51/31/1069105131.db2.gz GNDFPMIJOOYJNF-WDYNHAJCSA-N 2 2 496.659 4.462 20 0 JIADLP Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C(C)(C)C)[nH+]1 ZINC001164686845 719678522 /nfs/dbraw/zinc/67/85/22/719678522.db2.gz XRSILDILUGFSDU-OAQYLSRUSA-N 2 2 463.670 4.176 20 0 JIADLP COc1cc2cc[nH+]c(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2cc1F ZINC001164686574 719683480 /nfs/dbraw/zinc/68/34/80/719683480.db2.gz OVSVUSHPSQTESD-NRFANRHFSA-N 2 2 490.623 4.476 20 0 JIADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(c3ncccc3F)[C@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164692138 719760535 /nfs/dbraw/zinc/76/05/35/719760535.db2.gz RZVVYGABILZVRJ-NIYFSFCBSA-N 2 2 496.656 4.487 20 0 JIADLP COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH+]c2C)cc1 ZINC001164838274 720593420 /nfs/dbraw/zinc/59/34/20/720593420.db2.gz KNWAKXSJCPNGET-KYPHJKQUSA-N 2 2 473.621 4.418 20 0 JIADLP COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH+]c2C)cc1 ZINC001164838274 720593433 /nfs/dbraw/zinc/59/34/33/720593433.db2.gz KNWAKXSJCPNGET-KYPHJKQUSA-N 2 2 473.621 4.418 20 0 JIADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1C ZINC001164768900 721298909 /nfs/dbraw/zinc/29/89/09/721298909.db2.gz JQXDLJGEZXZHRW-UHFFFAOYSA-N 2 2 483.682 4.084 20 0 JIADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2c1C ZINC001164768900 721298917 /nfs/dbraw/zinc/29/89/17/721298917.db2.gz JQXDLJGEZXZHRW-UHFFFAOYSA-N 2 2 483.682 4.084 20 0 JIADLP